APPENDIX A NAMES SITE CHARACTERIZATION PROGRAM BASELINE ACTIVITY NUMBERS AND
%omrwltrVrrry wlkmw; ACTIVITY NO. A1&.. .1 V .E.
8.3.1.2.1.1.1 Precipitation and meteorological monitoring
8.3.1.2.1.2.1 Surface-water runoff monitoring
8.3.1.2.1.2.2 Transport of debris by severe runoff data 8.3.1.2.1.3.1 Assessment of the regional hydrogeologic needs in the saturated zones and 8.3.1.2.1.3.2 Regional potentiometric-level distribution hydrogeologic framework studies
8.3.1.2.1.3.3 Fortymile Wash recharge study
8.3.1.2.1.3.4 Evapotranspiration studies
8.3.1.2.1.4.1 Conceptualization of regional hydrologic flow models
8.3.1.2.1.4.2 Subregional two-dimensional area hydrologic modeling of 8.3.1.2.2.1.1 Characterization of hydrological properties surficial materials
8.3.1.2.2.1.2 Evaluation of natural infiltration
8.3.1.2.2.2.1 Chloride and chlorine-36 measurements of percolation at Yucca Mountain
8.3.1.2.2.3.1 Matrix hydrologic properties testing
8.3.1.2.2.3.2 Site vertical borehole studies
8.3.1.2.2.4.2 Percolation tests in the Exploratory Studies Facility Studies 8.3.1.2.2.4.8 Hydrochemistry tests in the Exploratory Facility
8.3.1.2.2.4.9 Multipurpose-borehole testing
8.3.1.2.2.6.1 Gaseous-phase circulation study
A-1 ACTIVITY NO. ACTIVITY NAME
8.3.1.2.2.7.1 Gaseous - phase chemical investigations 8.3.1.2.2.7.2 Aqueous-phase chemical investigations 8.3.1.2.2.8.1 Development of conceptual and numerical models of fluid flow in unsaturated, fractured rock
8.3.1.2.2.9.1 Conceptualization of the unsaturated-zone hydrogeologic system
8.3.1.2.2.9.3 Simulation of the natural hydrogeologic system
8.3.1.2.3.1.2 Site potentiometric-level evaluation 8.3.1.2.3.1.3 Analysis of single- and multiple-well hydraulic-stress tests
8.3.1.2.3.1.4 Multiple-well interference testing 8.3.1.2.3.1.6 Well testing with conservative tracers throughout the site
8.3.1.2.3.1.7 Testing of the C-hole sites with conservative tracers
8.3.1.2.3.2.1 Assessment of saturated-zone hydrochemical data availability and needs
8.3.1.2.3.2.2 Hydrochemical characterization of water in the upper part of the saturated zone
8.3.1.2.3.2.3 Regional hydrochemical tests and analyses 8.3.1.2.3.3.1 Conceptualization of saturated-zone flow models within the boundaries of the accessible environment
8.3.1.2.3.3.2 Development of fracture network model 8.3.1.3.1.1 Ground-water chemistry model
8.3.1.3.2.1 Mineralogy, petrology, and chemistry of transport pathways
8.3.1.3.2.1.1 Petrologic stratigraphy of the Topopah Spring Member
A-2 ACTIVITY NO. ACTIVITY NAME
8.3.1.3.2.1.2 Mineral distributions between the host rock and the accessible environment
8.3.1.3.2.1.3 Fracture mineralogy
8.3.1.3.2.2.1 History of mineralogic and geochemical alteration of Yucca Mountain
8.3.1.3.2.2.2 Smectite, zeolite, manganese minerals, glass dehydration, and transformation
8.3.1.3.4.1 Batch sorption studies
8.3.1.3.4.1.1 Batch sorption measurements as a function of solid phase composition
8.3.1.3.4.1.2 Sorption as a function of sorbing element concentrations (isotherms)
8.3.1.3.4.1.3 Sorption as a function of ground-water composition
8.3.1.3.4.2 Biological sorption and transport
8.3.1.3.5.1.1 Solubility measurements
8.3.1.3.6.1.1 Crushed tuff column experiments
8.3.1.3.6.2.1 Uptake of radionuclides on rock beakers in a saturated system
8.3.1.3.6.2.2 Diffusion through a saturated tuff slab
8.3.1.4.1.2 Integration of geophysical activities -
8.3.1.4.2.1.1 Surface and subsurface stratigraphic studies of the host rock and surrounding units
8.3.1.4.2.1.2 Surface-based geophysical surveys
8.3.1.4.2.1.3 Borehole geophysical surveys
8.3.1.4.2 .1.4 Petrophysical properties testing
8.3.1.4.2.1.5 Magnetic properties and stratigraphic correlations
8.3.1.4.2.1.6 Integration of geophysical activities
A-3 ACTIVITY NO. ACTIVITY NAME
8.3.1.4.2.2 Characterization of the structural features within the site area
8.3.1.4.2.2.1 Geologic mapping of zonal features in the Paintbrush Tuff
8.3.1.4.2.2.2 Surface-fracture network studies 8.3.1.4.2.2.3 Borehole evaluation of faults and fractures 8.3.1.4.2.2.4 Geologic mapping of the Exploratory Studies Facility
8.3.1.4.2.2.5 Seismic tomography/vertical seismic profiling 8.3.1.4.2.3.1 Development of a three-dimensional geologic model of the site area
8.3.1.4.3.1 Systematic acquisition of site-specific subsurface information
8.3.1.4.3.1.1 Systematic drilling program 8.3.1.5.1.1.1 Synoptic characterization of regional climate 8.3.1.5.1.2.1 Paleontologic analyses 8.3.1.5.1.2.2 Analysis of the stratigraphy-sedimentology of marsh lacustrine, and playa deposits
8.3.1.5.1.3.1 Analysis of pack rat middens
8.3.1.5.1.3.3 Determination of vegetation-climate relationships
8.3.1.5.1.4.1 Modeling of soil properties in the Yucca Mountain region
8.3.1.5.1.4.2 Surficial deposits mapping of the Yucca Mountain area
8.3.1.5.1.4.3 Eolian history of the Yucca Mountain region
8.3.1.5.1.5.1 Paleoclimate-paleoenvironmental synthesis 8.3.1.5.2.1.1 Regional paleoflood evaluation
8.3.1.5.2.1.2 Quaternary unsaturated zone hydrochemical analysis
A-4 -ACTIVITY NO. ACTIVITY NAME
8.3.1.5.2.1.3 Evaluation of past discharge areas 8.3.1.5.2.1.4 Analog recharge studies 8.3.1.5.2.1.5 Studies of calcite and opaline silica vein deposits
8.3.1.6.1.1.1 Development of a geomorphic map of Yucca Mountain 8.3.1.6.1.1.2 Analysis of the downcutting history of Fortymile Wash and its tributaries
8.3.1.6.1.1.3 An analysis of hillslope erosion at Yucca Mountain 8.3.1.6.2.1.1 Synthesis and data evaluation of impact of future climatic conditions on locations and rates of erosion
8.3.1.6.3.1.1 Synthesis and data evaluation of the impact of future uplift or subsidence and faulting on erosion at Yucca Mountain and vicinity
8.3.1.8.1.1.3 Presence of magma bodies in the vicinity of the site
8.3.1.8.1.2.1 Eruptive effects
8.3.1.8.3.2.2 Assessment of the effects of igneous intrusions on water-table elevations
8.3.1.8.3.2.5 Effects of faulting on water-table elevation 8.3.1.8.5.1.2 Geochronology studies 8.3.1..8.5.1.3 Field geologic studies
8.3.1.8.5.1.4 Geochemistry of scoria sequences 8.3.1.8.5.1.5 Geochemical cycles of basaltic volcanic fields
8.3.1.8.5.2.1 Evaluation of depth of curie temperature isotherm
8.3.1.8.5.2.3 Heat flow at Yucca Mountain and evaluation of regional ambient heat flow and local heat flow anomalies
8.3.1.9.2.1.1 Geochemical assessment of Yucca Mountain in relation to the potential for mineralization
A-5 ACTIVITY NAME ACTIVITY NO. - at and near 8.3.1.9.2.1.4 Assessment of hydrocarbon resources the site and regional ground- 8.3.1.9.2.2.1 Projected trends in local water development, and estimated withdrawal rates in southern Nevada, proximal to Yucca Mountain program 8.3.1.12.2.1.1 Site meteorological monitoring
8.3.1.14.2.1.1 Site reconnaissance
8.3.1.14.2.1.2 Preliminary and detailed exploration
8.3.1.14.2.1.3 Detailed exploration laboratory tests 8.3.1.14.2.2.1 Physical property and index property tests 8.3.1.14.2.2.2 Mechanical and dynamic laboratory measurements 8.3.1.14.2.3 Field tests and characterization characterization 8.3.1.14.2.3.1 Physical property field tests and measurements
8.3.1.14.2.3.2 Mechanical property field tests
8.3.1.14.2.3.3 Geophysical field measurements
8.3.1.15.1.1.1 Density and porosity characterization
8.3.1.15.1.1.3 Thermal conductivity characterization
8.3.1.15.1.2.1 Thermal expansion characterization properties 8.3.1.15.1.3 Laboratory determination of mechanical of intact rock of intact rock 8.3.1.15.1.3.1 Compressive mechanical properties at baseline experiment conditions conditions on 8.3.1.15.1.3.2 Effects of variable environmental mechanical properties the mechanical 8.3.1.15.1.4 Laboratory determination of properties of fractures
8.3.1.15.1.7. L Plate loading tests
A-6 ACTIVITY NO. ACTIVITY NAME
8.3.1.15.1.8.1 Evaluation of mining methods in the exploratory 8.3.1.15.2.1.2 Overcore stress experiments studies facility thermal 8.3.1.15.2.2.1 Surface-based evaluation of ambient conditions studies 8.3.1.16.1.1.1 Site flood and debris hazards of potential effects 8.3.1.16.2.1.4 Identification and evaluation of repository related withdrawals on the local flow system at Yucca Mountain, Nevada on faults 8.3.1.17.2.1.2 Assess the potential for displacement that intersect underground facilities for ground 8.3.1.17.3.3.2 Select or develop empirical models motion from underground nuclear explosions events 8.3.1.17.3.5.1 Identify controlling seismic the controlling 8.3.1.17.3.5.2 Characterize ground motion from seismic events
8.3.1.17.3.6.2 Evaluate ground motion probabilities record 8.3.1.17.4.1.1 Compile historical earthquake
8.3.1.17.4.1.2 Monitor current seismicity seismicity at the 8.3.1.17.4.1.3 Evaluate potential for induced site near prospective 8.3.1.17.4.2 Location and recency of faulting surface facilities in Midway 8.3.1.17.4.2.1 Identify appropriate trench locations Valley surveys in 8.3.1.17.4.3.1 Conduct and evaluate deep geophysical an east-west transect crossing the Furnace Creek fault zone, Yucca Mountain, and the Walker Lane 100 km of Yucca 8.3.1.17.4.3.2 Evaluate Quaternary faults within Mountain zone 8.3.1.17.4.3.4 Evaluate the Bare Mountain fault
A-7 . ^fl... f -m IkT^ ^ROMNTMV NoM AW;'1 X V.l-IZ MU. twr
8.3.1.17.4.3.5 Evaluate structural domains and characterize the Yucca Mountain region with respect to regional patterns of faults and fractures
8.3.1.17.4.4.1 Evaluate the Rock Valley fault system
8.3.1.17.4.5.1 Evaluate the significance of the Miocene-Paleozoic contact in the Calico Hills area to detachment faulting within the site area
8.3.1.17.4.5.2 Evaluate postulated detachment faults in the Beatty-Bare Mountain area
8.3.1.17.4.6.1 Evaluate Quaternary geology and potential Quaternary faults at Yucca Mountain
8.3.1.17.4.6.2 Evaluate age and recurrence of movement on suspected and known Quaternary faults
8.3.1.17.4.7.1 Evaluate intermediate depth (2 to 3 km) reflection and refraction methods and plan potential application of these methods within the site area
8.3.1.17.4.7.2 Detailed gravity survey of the site area 8.3.1.17.4.7.3 Detailed aeromagnetic survey of the site area 8.3.1.17.4.7.4 Detailed ground magnetic survey of specific features within the site area
8.3.1.17.4.7.5 Evaluate surface geoelectric methods and plan potential application of these methods within the site area
8.3.1.17.4.7.8 Evaluate shallow seismic reflection (mini-sosie) methods and, if appropriate, conduct surveys of selected structures at and proximal to the site area
8.3.1.17.4.8.1 Evaluate present stress field within site area
8.3.1.17.4.8.2 Evaluate and test shallow borehole hydrofrac and triaxial strain recovery methods for the determination of in situ stress and, if appropriate, plan potential application of these methods within and proximal to the site
A-8 ACTIVITY NO. ACTIVITY NAME
8.3.1.17.4.-9.1 Evaluate age and extent of tectonically stable areas at and near Yucca Mountain
8.3.1.17.4.10.1 Relevel base-station network, Yucca Mountain and vicinity 8.3.1.17.4.10.2 Survey selected base stations, Yucca Mountain and vicinity, using global positioning satellite 8.3.1.17.4.10.3 Analyze existing releveling data, Yucca Mountain and vicinity
8.3.1.17.4.12.1 Evaluate tectonic processes and tectonic stability at the site
8.3.2.4.1.1 Design activity to verify access and drift usability
8.3.5.4.1.1 Refinement of site data parameters required for Issue 2.2
8.3.5.10.2.1 Characterization of the spent fuel waste form 8.3.5.10.2.2 Characterization of the glass waste form 8.3.5.10.3.2 Develop geochemical speciation and reaction model
8.3.5.10.5.1 Determine radionuclide transport parameters 8.3.5.10.5.2 Radionuclide transport modeling in the near-field waste package environment
8.3.5.12.1.1 Application of results 8.3.5.12.2.1 Model development 8.3.5.12.2.1 .1 Development of a theoretical framework for calculational models 8.3.5.12.2.2 Verification and validation
A-9 APPENDIX B
GEOLOGIC AND ENGINEERING MATERIALS: BIBLIOGRAPHY OF CHEMICAL SPECIES (GEMBOCHS) DATA CATALOG
Introduction
The GEMBOCHS database and software library together provide a suite of thermodynamic datafiles for use with geochemical modeling codes such as EQ3/6, which in turn are used to carry out aqueous speciation and fluid-rock mass transfer calculations that provide quantitative insight into the geochemical evolution of diverse geologic systems. In the context of Yucca Mountain Site Characterization Project (YMP) investigations, participant their geochemists depend heavily on GEMBOCHS and EQ3/6 in efforts to assess and predict the likely and potential geochemical consequences of the proposed subterranean repository. This appendix lists the general types of data contained in the database and provides tabular summaries of the specific species, reference-state thermodynamic data, and literature references currently included in GEMBOCHS. GEMBOCHS Data Types The following lists provide skeletal summaries of the compositional, reaction, and thermodynamic data included in GEMBOCHS for minerals, gases, and aqueous species. For a given species, some (or most) of these data may be lacking; conversely, for certain parameters, more than one referenced value is often available.
Compositional Data for Minerals, Gases, and Aqueous Species Elemental Composition Common Name
Reaction Data for Aqueous Dissociation of Minerals, Gases, and Aqueous Species Reaction Stoichiometry Equilibrium Constants Pressure, Temperature Conditions Standard Molal Gibbs Free Energies of Reaction Standard Molal Enthalpies of Reaction Standard Molal Entropies of Reaction
B-1 Standard Molal Volumes of Reaction Standard Molal Heat Capacities of Reaction Parameter Units - Literature References Thermodynamic Data for Minerals Standard Molal Gibbs Free Energy of Formation Standard Molal Enthalpy of Formation Standard Molal Entropy at Reference Pressure (Pr) and Temperature (Tr) Standard Molal Volume at Pr, Tr Standard Molal Heat Capacity at Pr, Tr Molecular Weight Heat Capacity Coefficients - Temperature Limits on Heat Capacity Coefficients Standard Molal Enthalpy of Transition Standard Molal Entropy of Transition Standard Molal Volume of Transition Clapeyron Slope Parameter Units Literature References Thermodynamic Data for Gases Standard Molal Gibbs Free Energy of Formation Standard Molal Enthalpy of Formation Standard Molal Entropy at Pr, Tr Standard Molal Volume at Pr, Tr Standard Molal Heat Capacity at Pr, Tr Molecular Weight Heat Capacity Coefficients Temperature Limits on Heat Capacity Coefficients Parameter Units Literature References
Thermodynamic Data for Aqueous Species Standard Molal Gibbs Free Energy of Formation Standard Molal Enthalpy of Formation Standard Molal Entropy at Pr, Tr Standard Molal Volume at Pr, Tr Standard Molal Heat Capacity at Pr, Tr Molecular Weight Equation-of-State Coefficients Debye-Huckel Parameters Ionic Charge Electronic Entropy Parameter Units Literature References
B-2 'GEMBOCHS Species. Data, and References of the chemical BI provides a comprehensive inventory Table are available in GEMBOCHS, a species for which at least some data of the data used to represent reference- symbolic description indicating of individual species, and a matrix state stability in each of the six presence or absence of these species the currently provided for use with standard thermodynamic datafiles EQ3/6. each of the table, the common name for In the "species" section chemical is given in the "name" column, its distinct species column, and its is provided in the "composition" composition column. This last or "mineral" nature in the "type" "aqueous" Although all aqueous species column requires some explanation. table, within GEMBOCHS they are are grouped together in this aqueous" "basis", "auxiliary basis", and "[other] subdivided into species are used in where the basis and auxiliary basis species, dissociation of minerals, gases, reactions that represent aqueous species. There is no physical liquids, and other aqueous a with this subdivision, and from differentiation associated completely standpoint such classification is thermodynamic practical considerations). arbitrary (albeit necessary from here, although in all minerals are grouped together Similarly, into n[stoichiometric] database itself they are subdivided the and "liquids". However, in solids", "solid solutions", "gases", are for aqueous species, these four subtypes contrast to the case solid physically. In the following table, clearly distinct parenthetical are distinguished by the explicit solutions composition: of cation mixing sites in their representation are denoted by their Orthopyroxene: (Fe,Mg)SiO 3. Gases e.g., by their "(1)" suffix: "(g)" suffix: e.g., C02(g), and liquids other species of type "mineral" are e.g., Br2 (1). All species types (pure) solids. Although these four stoichiometric behavior is physically distinct, their thermodynamic are hence, their grouping in this represented with similar equations, compilation. blank whenever its Note that the composition column is and that the primary sort on specification would be redundant, species are is by species type; hence, all aqueous the table block, followed by the listed (alphabetically) in the first in the second. Also note that the minerals (also alphabetized) in the column, which is of 55-character length composition length below. This has been truncated to 28-character database, although it can be in length restriction is rarely significant, Clinoptilolites). some instances (e.g., several
B-3 In the "data" section, the "type" column refers to the type of data used to represent thermodynamic stability of the species at the reference T-P state of 25C, 1 bar. Type "1" denotes use of the standard molal Gibbs free energy of formation of the species from its elements in their standard state; type "2" refers to use of the standard molal enthalpy of formation and standard molal entropy to calculate the corresponding Gibbs free energy; type "3" signifies use of a reported equilibrium constant for aqueous dissociation of the species; type "4"1 indicates use of chemical potential data reported by Harvie et al. (1984); and finally, for species of the type "0", there is insufficient data to calculate the standard molal Gibbs free energy. Provided in the adjacent "lit. source" column is the literature source for the indicated data. These sources are given in standard squibb notation, which is simply a concatenation of the last two digits of the year of publication (20th century) and the first three letters of the author's last name; if there are two or more authors, the first three letters of the second author's last name are appended following a slash character. The literature references are provided in complete form in Table B2, which begins on page B-98. Note that the summary of data used to calculate species stability in the reference state represents only a small fraction of the thermodynamic data contained in the GEMBOCHS database. Not tabulated or referenced here are the equation-of-state, heat- capacity, and phase-transition data used to calculate standard molal thermodynamic properties at elevated temperatures and pressures; Debye-Huckel parameters used to evaluate activity coefficients of aqueous species; site mixing parameters used to represent the thermodynamic behavior of solid solutions, etc. The final "EQ3/6 Datafiles" section provides a matrix summary of the presence (indicated by an "X") or absence ("O") of a given species in each of the six thermodynamic datafiles provided for use with EQ3/6. The "com" file is a composite database that encompasses the broadest range of bulk chemical composition, at the expense of a somewhat reduced level of internal consistency; the "alt" file mirrors the "com" file with one exception: data for aqueous Np, Pu, and Am complexes are taken exclusively from Palmer et al. (1992), as described above. The "sup" file is based on equations and data taken from the SUPCRT92 software package (Johnson et al., 1992), which currently includes approximately 550 species and features a high level of internal consistency and a comprehensive equation-of-state for aqueous species. The "nea" file is based on the internally consistent, albeit bulk-composition restricted, CODATA (Cox et al., 1989) and NEA-Uranium (Grenthe et al., 1992) compilations. The "pit" (Pitzer, e.g., 1973, 1987) and "hmw" (Harvie et al., 1984) files
B-4 by their treatment of activity are primarily distinguished on Pitzer's for aqueous species, which are based coefficients "alt", and "nea" files equations. (In contrast, the "com", calculation of aqueous activity contain data which facilitate which is more using an extended Debye-Huckel model, coefficients aqueous solutions.) appropriate for relatively dilute suited for use with these datafiles is particularly Each of For example, if the bulk certain geochemical modeling problems. be modeled is somewhat exotic chemistry of the system to or rare earths, etc.), then the "comi" (containing actinides, to be the only choice; if the problem "alt" files are likely and relatively involves common rock-forming minerals addressed file is recommended aqueous solutions, then the "sup" dilute consistency and aqueous- owing to its high level of internal If the model environment is species equation of state. high ionic by brines or other fluids of relatively characterized files are most appropriate. At strength, then the "pit" or "hmw" is of limited practical use as its present, the "nea" file this restricted to Uranium species. However, primarily enhanced applicability upon compilation will enjoy greatly data of the critical reviews of thermodynamic incorporation species, which will in progress for Tc, Np, Pu, and Am currently of Grenthe et al. (1992). be analogs to the Uranium volume
B-5 Table B1: Summary of GEMBOCHS species, reference-state data, and EQ3/6 datafiles
SPECIES DATA EQ3/6 DATAFILES ****** COMPOSITION**************** *********************** NAME COMPOSITION T'YPE TYPE LIT. SOURCE COM ALT SUP PIT NEA HMW
(AmO2)2(OH)2++ aqueous 92pal/sil 0 0 (AmO2)20H+++ aqueous 92pal/sil 0 0 (AmO2)3(C03)6(6-) aqueous 92pal/sil 0 0 (AmO2)3(OH)4++ aqueous 92pal/sil 0 0 (AmnO2)3(OH)5+ aqueous 92pal/sil 0 0 (AmO2)3(OH)7- aqueous 92pal/sil 0 0 (AmO2)4(OH)7+ aqueous 92pal/sil 0 0 (NH4)2Sb2S4(aq) aqueous 82wag/eva 0 0 (NpO2)2(OH)2++ aqueous 841em 0 0 (NpO2)2(OH)2++ aqueous 84lem 0 0 (NpO2)2(OH)2++ aqueous 92pal/sil 0 0 (NpO2)20H+++ aqueous 92pal/sil 0 0 (NpO2)3(C03)6(6-) aqueous 92pal/sil 0 0 (NpO2)3(OH)4++ aqueous 92pal/sil 0 0 (NpO2)3(OH)5+ aqueous 84lem 0 0 (NpO2)3(OH)5+ aqueous 841em 0 0 (NpO2)3(OH)5+ aqueous 92pal/sil 0 0 (NpO2)3(OH)7- aqueous 92pal/sil 0 0 (NpO2)4(OH)7+ aqueous 92pal/sil 0 0 (PuO2)2(OH)2++ aqueous 80lem/tre 0 0 (PuO2)2(OH)2++ aqueous 80lem/tre 0 0 (PuO2)2(OH)2++ aqueous 92pal/sil 0 0 (PuO2)20H+++ aqueous 92pal/sil 0 0 (PuO2)3(C03)6(6-) aqueous 92pal/sil 0 0 (PuO2)3(OH)4++ aqueous 92pal/sil 0 0 (PuO2)3(OH)5+ aqueous 80lem/tre 0 0 (PuO2)3(OH)5+ aqueous 80lem/tre 0 0 (PuO2)3(OH)5+ aqueous 92pal/sil 0 0 (PuO2)3(OH)7- aqueous 92pal/sil 0, 0 (PuO2)4(OH)7+ aqueous 92pal/sil 0 0 (TcO(OH)2)2(aq) aqueous 83rar 0 0 (U02)11(C03)6(0H)12-- aqueous 92gre/fug 0 X (U02)2(C03)(OH)3- aqueous 84tri o o (U02)2(OH)2++ aqueous chemval* 0 0
B-6
( ( ( (
DATA EQ3/6 DATAFILES SPECIES ****** ** ** **** ** ** ** *** ** ** ** ** ** *** ** ** * ** *** ** ** * ** ****************** NEA HMW TYPE LIT.SOURCE COM ALT SUP PIT COMPOSITION TYPE NAME X X 0 0 X 0 aqueous 1 92gre/fug (-02)2-(OH)-2++ 0 0 0 0 aqueous 3 chemval* 0 0 0 0 X 0 (U02)2(OH)2++ aqueous 1 92gre/fug X X X 0 0 X 0 (U02)2C03(OH)3- aqueous 1 92gre/fug X (UO2)2OH+++ (U02)3(C03)6 (6 -) aqueous O cheval* O O 6 1 92gre/fug X X O O X O (U02)3(C03)6( -) aqueous 0 0 0 0 0 0 6 aqueous 3 chemval* (U02)3(C03)6( -) 0 chemval* 0 0 0 0 0 0 (U02)3(0H)5+ aqueous aqueous 1 92gre/fug X X 0 0 X 0 (U02)3(OH)5+ aqueous 3 chemval* 0 0 0 0 0 0 (U02)3(OH)5+ X 0 aqueous 1 92gre/fug X X 0 0 (U02)3(OH) 5+ 0 aqueous 1 92gre/fug X X 0 0 X (U02)3(OH)5-+ 1 92gre/fug X(H X O C 0 aqueous (U02)3(0H)2(002)30(OH)27 C3+x 1 92gre/fug X X 0 0 X 0 (U02)4(OH)7+ aqueous 76bae/mes X X 0 0 0 0 aqueous 3 2 (VO)2(OH)2++ aqueous 1 supcrt9 ** X X X 0 0 0 C4H9NH2 X X 0 0 0 aqueous 1 supcrt92** X C4H9H X X X O O O 1-Butanel(aq)l-Butanlaie(aq) C4H98 s I supcrt92** 1 supcrt9 2 ** X X X 0 0 0 l-Butyne(aq) C4H6 aqueous 1 supcrt92** X X X 0 0 0 Heptanamineaq) C7Hl5NH2 aqueous aqueous 1 supcrt92** X X X 0 0 0 C7Hl50H X X C7H14 aqueous 1 supcrt92** 1-Heptene(aq) 1 supcrt92** X X X 0 0 0 1-Heptnefaq)f C7H12 aqueous 1 supcrt9 2 ** x x x 0 0 0 1Hexanamine(aq) C6H13NH2 aqueous C6H130H aqueous 1 supcrt92** X X X 0 0 0 1 supcrt92** X X X O O O 1-Hexeane(aq) C6H12 auosaqueous 1 spr9* 1-Hextyfe(aq) C8H7NH2 1 supcrt92** X X X 0 0 0 l-Hexyne(aq) C6H10 aqueous supcrt92** X X X 0 0 0 l-Octanamine(aq) CBH17NH2 aqueous 1 2 ** X X X 0 0 0 l-Octanol(aq) C8H12 aqueous 1 supcrt9 1 supcrt92 ** X X X 0 0 0 l-Octene(aq) aqueous aqueous 1 supcrt92** X X X 0 0 0 l-Octyne(aq) l-etnla)CHlHaqueousC5H12OHC8Hl4 1 supcrt92** X X X 0 0 0 i-Pentanol(aq) aqueous 1 supcrt92** X X X 0 0 0 l-Pentanamine(aq)1~Octne~aq C8H1C5HllNH2 SPECIES DATA EQ3/6 DATAFILES *********************************************** **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP' PIT NEA HMW …-Pentene…aq) 1-Pentene(aq) C5H10 aqueous supcrt92** 1-Pentyne(aq) x x x 0 0 C5H8 aqueous supcrt92** 1-Propanamine(aq) x x. x 0 0 C3H7NH2 aqueous supcrt92** l-Propanol(aq) x x x 0 0 C3H70H aqueous supcrt92** l-Propene(aq) x x x 0 0 C3H6 aqueous supcrt92** l-Propyne(aq) x x x 0 0 C3H4 aqueous supcrt92** 2-Butanone(aq) x x x 0 0 C4H80 aqueous supcrt92** 2-Heptanone(aq) x x x 0 0 C7H140 aqueous supcrt92** 2-Hexanone(aq) x x x 0 0 C6H120 aqueous supcrt92** 2-Octanone(aq) x x x 0 0 C8H160 aqueous supcrt92** 2-Pentanone(aq) x x x 0 0 C5H100 aqueous supcrt92** Acetaldehyde(aq) x x x 0 0 CH3CHO aqueous 93sch/sho Acetamide(aq) x x x 0 0 CH3CONH2 aqueous 93sho Acetate x x x 0 0 CH3COO- aqueous supcrt92** Acetic acid(aq) x x x 0 0 CH3COOH aqueous supcrt92** Acetone(aq) x x x 0 0 CH3COCH3 aqueous supcrt92** Ag(CH3COO)2- x x x 0 0 aqueous 93sho/kor Ag(C03)2--- x x x 0 0 aqueous supcrt92** Ag+ x x x 0 0 aqueous supcrt92** Ag+ x x x 0 0 aqueous 89cox/wag Ag++ 0 0 0 0 0 aqueous supcrt92** AgCH3COO(aq) x x x 0 0 aqueous 93sho/kor AgCO3- x x x 0 0 aqueous supcrt92** AgCl(aq) x x x 0 0 aqueous supcrt92** AgC12- x x x 0 0 aqueous supcrt92** AgC13-- x x x 0 0 aqueous supcrt92** AgC14- x x x 0 0 -- aqueous supcrt92** AgF(aq) x x x 0 0 aqueous 82wag/eva AgNO3(aq) x x 0 0 0 aqueous supcrt92** Al(CH3COO)2+ x x x 0 0 aqueous 93sho/kor Al(O-phth)+ x x x 0 0 aqueous 77mar/smi Al(O-phth)2- 0 0 0 0 0 aqueous 89mar/smi 0 0 0 0 0 Al(OH)2+ aqueous chemval* 0 0 0 0 0 Al(OH)2+ aqueous 93bou/kna x x 0 0 0 B-8
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SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
Al (OH) 2+ aqueous chemval* Al(OH)3(aq) aqueous 93bou/kna Al(OH)4- aqueous chemval* Al(OH) 4- aqueous 93bou/kna Al (OH)4- aqueous chemval* Al (S04)2- aqueous chemval* Al (S04) 2- aqueous 69iza/eat Al (S04)2- aqueous chemval* aqueous supcrt92** Al+++ aqueous 89cox/wag A11304(OH)24(7+) aqueous 76bae/mes A12(OH)2++++ aqueous chemval* A12(OH)2++++ aqueous 76smi/mar Al2(OH)2++++ aqueous chemval* Al3(OH)4(5+) aqueous chemval* Al3(OH)4(5+) aqueous 76smi/mar A13(OH)4(5+) aqueous chemval* AlCH3COO++ aqueous 93sho/kor AlCH3COO++ aqueous 77mar/smi AlF++ aqueous 76smi/mar AlF2+ aqueous 76smi/mar AlF3(aq) aqueous 76smi/mar AlF4- aqueous 76smi/mar AlF5-- aqueous 76smi/mar AlF6--- aqueous 76smi/mar AlH2PO4++ aqueous 791an AlHP04+ aqueous 791an A102- aqueous supcrt92** AlOH++ aqueous chemval* AlOH++ aqueous supcrt92** AlOH++ aqueous 93bou/kna AlOH++ aqueous chemval* AlSO4+ aqueous chemval* AlS04+ aqueous 69iza/eat
B-9 DATA EQ3/6 DATAFILES SPECIES **************** ************ *********************************************** COM ALT SUP PIT NEA HMW TYPE TYPE LIT.SOURCE------MAMF COMPOSITION aqueous-- 3 chemval* x x 0 0 0 0 aqueous 0 AlSO4+ 1 supcrt92** x x x 0 0 C3H7N02 aqueous 0 Alanine(aq) 1 92sho X x x 0 0 C5H10N203 aqueous 0 0 Alanylglycine(aq) 3 92pal/sil 0 0 0 0 aqueous 0 0 Am(C03)2(aq) 1 84ker 0 0 0 0 aqueous x 0 Am(C03)2- 3 86ker/sil x 0 0 0 aqueous 0 0 Am(C03)2- 3 92pal/sil x 0 0 0 aqueous 0 0 Am(C03)2- 3 92pal/sil 0 0 0 aqueous x 0 0 Am(CO3)3-- 3 86ker/sil 0 0 0 aqueous 0 x 0 Am(C03)3--- 3 92pal/sil 0 0 0 aqueous 0 x 0 Am(C03)3--- 3 92pal/sil 0 0 0 aqueous 0 x 0 Am(CO3)4---- 3 92pal/sil 0 0 0 aqueous x 0 0 Am(C03)5(6-) 1 84ker 0 0 0 aqueous 0 x 0 Am(H2P04)2+ 3 92pal/sil 0 0 0 2 aqueous 0 x 0 Am(H2P04) + 3 92pal/sil 0 0 0 aqueous x 0 0 Am(H2P04)2++ 1 84ker 0 0 0 aqueous 0 x 0 Am(H2P04)3(aq) 3 92pal/sil 0 0 0 aqueous 0 x 0 Am(H2P04)3(aq) 3 92pal/sil 0 0 0 0 4 aqueous x 0 0 Am(H2P04) (aq) 1 84ker 0 0 0 aqueous 0 x Am(H2P04)4 - 3 92pal/sil 0 0 0 0 aqueous 0 x Am(H2P04)4- 3 9ipal/sil 0 0 0 0 aqueous 0 x 0 Am(HP04)2(aq) 3 92pal/sil 0 0 0 aqueous 0 x 0 Am(HP04)3-- 3 92pal/sil 0 0 0 aqueous 0 x 0 Am(HP04)4 ---- 3 92pal/sil 0 0 0 6 aqueous x 0 Am(HP04)5( -) 1 84ker 0 0 0 0 aqueous 0 x Am(N03)2+ 3 92pal/sil 0 0 0 0 aqueous 0 x 0 Am(N03)2+ 3 92pal/sil 0 0 0 aqueous 0 x 0 0 Am(N03)2++ 3 92pal/sil 0 0 aqueous 0 x 0 0 Am(N03)3(aq) 3 92pal/sil 0 0 aqueous 0 x 0 0 Am(N03)3+ 3 92pal/sil 0 0 4 aqueous 0 0 0 0 Am(N03) (aq) 1 84ker 0 0 aqueous x 0 0 0 Am(OH)2+ 3 86ker/sil 0 0 aqueous 0 x 0 0o 3 92pal/sil 0 0 0 Am(OH)2+ aqueous 0 x 0 2+ 3 Am(OH) aqueous 92pal/sil Am(OH)2++ B-10 ( (V (, ( (
SPECIES DATA EQ3/6 DATAFILES *********************** ****** COMPOSITION**************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW 0 0 0 0 Am(OH)3(aq) aqueous 1 84ker 0 0 0 0 0 0 0 Am(OH)3(aq) aqueous 3 86ker/sil x x 0 0 0 0 Am(OH)3(aq) aqueous 3 92pal/sil 0 x 0 0 0 0 Am(OH)3+ aqueous 3 92pal/sil 0 0 x 0 0 0 0 Am(OH)4(aq) aqueous 3 92pal/sil 0 x 0 0 0 0 Am(OH)5- aqueous 3 92pal/sil 0 x 0 0 0 0 Am(S04)2(aq) aqueous 3 92pal/sil 0 0 0 0 0 Am(S04)2- aqueous 1 84ker x aqueous 3 92pal/sil 0 x 0 0 0 0 Am(S04)2- 0 aqueous 3 92pal/sil 0 x 0 0 0 Am(S04)3-- 0 0 aqueous 1 76fug/oet x x 0 0 Am+++. 0 aqueous 1 76fug/oet x x 0 x 0 Am++++. 0 0 aqueous 1 84ker 0 0 0 0 AmCO3+ 0 aqueous 3 86ker/sil x 0 0 0 0 AmCO3+ 0 0 aqueous 3 92pal/sil 0 x 0 0 AmCO3+ 0 0 aqueous 3 92pal/sil 0 x 0 0 AmCO3++ 0 0 aqueous 1 84ker x 0 0 0 AmCl++ 0 aqueous 3 92pal/sil 0 x 0 0 0 AmCl++ 0 aqueous 3 92pal/sil 0 x 0 0 0 AinCl +++ 84ker x 0 0 0 0 0 AmC12+ aqueous 1 0 x 0 0 0 0 AmC12+ aqueous 3 92pal/sil 3 92pal/sil 0 x 0 0 0 0 AmC12++ aqueous 92pal/sil 0 x 0 0 0 0 AmC13+ aqueous 3 84ker x 0 0 x 0 0 AmF++ aqueous 1 3 92pal/sil 0 x 0 0 0 0 AmF++ aqueous .3 92pal/sil 0 x 0 0 0 0 AmnF+++ aqueous 84ker x 0 0 0 0 0 AmF2+ aqueous 1 0 x 0 0 0 0 AmF2+ aqueous 3 92pal/sil 3 92pal/sil 0 x 0 0 0 0 AmF2++ aqueous 1 84ker x 0 0 0 0 0 AmF3(aq) aqueous 3 92pal/sil 0 x 0 0 0 0 AmF3(aq) aqueous .3 92pal/sil 0 x 0 0 0 0 AmF3+ aqueous 3 92pal/sil 0 x 0 0 0 0 AmnF4 (aq) aqueous 3 92pal/sil 0 x 0 0 0 0 AmF5- aqueous B-li SPECIES DATA EQ3/6 DATAFILES *********************** *********************************************** **************** TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW NAME COMPOSITION - - …------0 aqueous 3 92pal/sil 0 x 0 0 0 AmF6-- 0 0 0 0 aqueous 1 84ker x 0 AmH2PO4++ 0 0 0 aqueous 3 92pal/sil 0 x 0 AmH2PO4++ 0 0 0 aqueous 3 92pal/sil 0 x 0 AmH2P04+++ 0 0 0 0 aqueous 3 92pal/sil 0 x AmHPO4++ 0 0 0 0 aqueous 1 84ker x 0 AmNO3++ 0 0 0 aqueous 3 92pal/sil 0 x 0 AmNO3++ 0 0 0 aqueous 3 92pal/sil 0 x 0 AmN03+++ 0 0 0 aqueous 3 92pal/sil 0 x 0 AmO2(C03)2-- 0 0 0 aqueous 3 92pal/sil 0 x 0 AmO2(CO3)2--- 0 0 0 aqueous 3 92pal/sil 0 x 0 AmO2(C03)3(5-) 0 0 0 aqueous 3 92pal/sil 0 x 0 AmO2(C03)3 ---- 0 0 0 aqueous 3 92pal/sil 0 x 0 AmO2(H2P04)2(aq) 0 0 0 aqueous 3 92pal/sil 0 x 0 AmO2(N03)2(aq) 0 0 0 aqueous 3 92pal/sil 0 x 0 AmO2(N03)2- 0 0 0 aqueous 3 92pal/sil 0 x 0 AmO2(OH)2(aq) 0 0 0 aqueous 3 92pal/sil 0 x 0 AmO2(OH)3 - 0 0 0 aqueous 3 92pal/sil 0 x 0 AmO2(OH)4-- 0 0 0 aqueous 3 92pal/sil 0 x 0 AmO2(S04)2 -- 0 0 0 0 aqueous 1 76fug/oet 0 0 AmO2+ 0 0 0 0 aqueous 1 76fug/oet 0 0 AmO2++ 0 0 0 0 aqueous 3 92pal/sil 0 x AmO2C03(aq) 0 0 0 0 aqueous 3 92pal/sil 0 x AmO2CO3- 0 0 0 0 aqueous 3 92pal/sil 0 x AmnO2Cl(aq) 0 0 0 0 0 aqueous 3 92pal/sil x AmO2Cl+ 0 0 0 0 aqueous 3 92pal/sil 0 x AmO2Cl2(aq) 0 0 0 0 aqueous 3 92pal/sil 0 x AmO2C12- 0 0 0 0 aqueous .3 92pal/sil 0 x AmO2F(aq) 0 0 0 0 aqueous 3 92pal/sil 0 x AmO2F+ 0 0 0 0 aqueous 3 92pal/sil 0 x AmO2F2(aq) 0 0 0 0 aqueous 3 92pal/sil 0 x AmO2F3- 0 0 0 0 aqueous 3 92pal/sil 0 x AmO2F4-- 0 0 0 0 aqueous 3 92pal/sil 0 x AmO2H2PO4(aq) 0 0 0 0 aqueous 3 92pal/sil 0 2K AmO2H2P04 + B-12
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SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA H-MW
AmO2HCO3(aq) aqueous 84ker 0 AmO2HP04(aq) aqueous 92pal/sil ,0 AmO2HPO4- aqueous 92pal/sil 0 AmO2NO3(aq) aqueous 92pal/sil 0 AmO2NO3+ aqueous 92pal/sil 0 AmO2OH(aq) aqueous 92pal/sil 0 AmO2OH+ aqueous 92pal/sil 0 AmO2PO4-- aqueous 92pal/sil 0 AmO2SO4(aq) aqueous 92pal/sil 0 AmO2S04- aqueous 92pal/sil 0 AmOH++ aqueous 84ker 0 AmOH++ aqueous 86ker/sil 0 AmOH++ aqueous 92pal/sil 0 AmOH+++ aqueous 92pal/sil 0 AmSO4+ aqueous 84ker 0 AmSO4+ aqueous 92pal/sil 0 AmSO4++ aqueous 92pal/sil 0 Ar(aq) aqueous supcrt92** 0 As(OH)3(aq) aqueous 82wag/eva 0 As(OH)4- aqueous 76bae/mes 0 AsH3(aq) aqueous 69ser/kho 0 AsO2- aqueous 92gre/fug 0 AsO2OH-- aqueous 69ser/kho 0 AsO3F-- aqueous 82wag/eva 0 I '0 AsO4--- aqueous 92gre/fug AsO4 --- aqueous 82wag/eva 0 Asparagine(aq) C4H8N203 . aqueous supcrt92** 0 Aspartic acid(aq) C4H7N04 aqueous supcrt92** 0 Au(CH3COO)2- aqueous 93sho/kor 0 Au+ aqueous supcrt92** 0 aqueous supcrt92** 0 AuCH3COO(aq) aqueous 93sho/kor 0 B(OH)3(aq) aqueous supcrt92** 0 B(OH)3(aq) aqueous 89cox/wag 0
B-13 SPECIES DATA EQ3/6 DATAFILES *********************** *********************************************** **************** TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW NAME COMPOSITION …------aqueous 3 72mes/bae 0 0 0 0 0 0 B(OH)4- 0 '0 aqueous 3 80bas 0 0 0 0 B(OH)4- 0 0 aqueous 3 77bas' x x 0 0 B20(OH) 5- 0 0 0 aqueous 3 8Obas 0 0 0 B303 (OH)4- 0 0 0 0 aqueous 3 80bas 0 0 B405(OH)4-- 0 0 0 aqueous 1 8Obas x x 0 BF2(OH)2- 0 0 0 aqueous 1 80bas x x 0 BF30H- 0 0 0 aqueous 1 supcrt92** x x x BF4 - 0 0 0 aqueous 1 82wag/eva x x 0 BH4- 0 0 0 aqueous supcrt92** x x x B02 - 0 0 0 1 93sho/kor x x x Ba(CH3COO)2(aq) aqueous 0 0 aqueous 3 89mar/smi x x 0 0 Ba(o-Phthalate)(aq) 0 0 aqueous 1 supcrt92** x x x x Ba++ 0 x 0 aqueous 2 92gre/fug 0 0 0 Ba++ 0 0 1 80bas x x 0 0 BaB(OH)4+ aqueous 0 0 aqueous 1 93sho/kor x x 0 BaCH3COO+ 0 0 0 0 aqueous 3 89mar/smi 0 0 BaCH3COO+ 0 0 0 aqueous 1 supcrt92** x x x BaCO3(aq) 0 0 aqueous 1x supcrt92** x x x 0 BaCl+ 0 aqueous 1 supcrt92** x x x 0 0 BaF+ 0 0 0 aqueous 1 supcrt92** 0 0 0 BaHCO3+ 0 0 aqueous 3 76smi/mar x x 0 0 BaNO3+ 0 0 0 aqueous 3 76bae/mes x x 0 BaOH+ 0 0 0 aqueous 3 76smi/mar 0 0 0 BaSO4(aq) 0 0 0 aqueous 1 93sho/kor x x x Be(CH3COO)2(aq) 0 0 aqueous 1 supcrt92** x x x x Be++ 0 0 0 aqueous 1 93sho/kor x x x BeCH3COO+ 0 0 0 aqueous 1 supcrt92** x x x BeO2-- 0 0 aqueous 1 supcrt92** x x x 0 Benzene(aq) C6H6 0 0 0 aqueous 1 93sho/kor 0 0 0 Bi(CH3COO)2+ 0 0 0 aqueous 1 93sho/kor 0 0 0 Bi(CH3COO)3(aq) 0 0 0 aqueous 1 93sho/kor 0 0 0 BiCH3COO++ 0 0 aqueous 1 supcrt92** x x x x Br- 0 0 2 89cox/wag 0 0 0 0 Br- aqueous B-14
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SPECIES DATA EQ3/6 DATAFILES
NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
Br3- aqueous supcrt92** X x x 0 0 0 0 0 0 BrO- aqueous 92gre/fug 0 aqueous supcrt92** X x x 0 0 BrO - x x 0 BrO3- aqueous supcrt92** x x aqueous 92gre/fug 0 0 0 0 0 BrO3- x x 0 0 BrO4 - aqueous supcrt92** X 0 0 CH3(CH2)2CHO aqueous 93sch/sho x x x Butanal(aq) x x 0 0 Butanoate C3H7COO- aqueous supcrt92** X x x 0 0 acid(aq) C3H7COOH aqueous supcrt92** X Butanoic x x 0 0 CN- aqueous supcrt92** X aqueous 93sho/mck X x x 0 0 CO(aq) x x 0 0 C02(aq) aqueous supcrt92** x 0 0 0 0 C02(aq) aqueous 89cox/wag 0 aqueous 84har/mol 0 0 0 0 Ix C02(aq) x x 0 0 C03-- aqueous supcrt92** x 0 0 0 0 C03-- aqueous 89cox/wag 0 aqueous 84har/mol 0 0 0 0 x C03-- x x 0 0 Ca(CH3COO)2(aq) aqueous 93sho/kor X aqueous 89mar/smi X x 0 0 0 Ca(o-Phthalate)(aq) x x x 0 Ca++ aqueous supcrt92** X 0 0 0 0 Ca++ aqueous 89cox/wag 0 0 0 0 x Ca++ aqueous 84har/mol 0 aqueous 80bas X x 0 0 0 CaB(OH)4+ x x 0 0 CaCH3COO+ aqueous 93sho/kor X 0 0 0 0 CaCH3COO+ aqueous 89mar/smi 0 aqueous chemval* 0 0 0 0 0 CaCO3(aq) x x 0 0 CaCO3(aq) aqueous supcrt92** X 0 0 0 0 CaCO3(aq) aqueous 82plu/bus 0 0 0 0 0 CaCO3(aq) aqueous chemval* 0 aqueous dataOR53 0 0 0 0 0 CaCO3(aq) 0 0 0 x CaCO3(aq) aqueous 84har/mol 0 X x x 0 0 CaCl+ aqueous supcrt92** aqueous supcrt92** X x x 0 0 CaC12(aq) x x 0 0 CaF+ aqueous supcrt92** X
B-15 SPECIES DATA E03/6 DATAFILES
NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
CaH2PO4+ aqueous 76smi/mar X x 0 0 0 CaHC03+ aqueous chemval* 0 aqueous 87gar/par 0 0 0 CaHCO3+ x 0 CaHC03+ aqueous supcrt92** X 0 0 CaHCO3+ aqueous chemval* 0 aqueous dataOR53 0 0 0 CaHC03+ 0 aqueous 76smi/mar 0 0 CaHP207- 0 aqueous 76smi/mar X x CaHP04(aq) x 0 CaNO3+ aqueous 76smi/mar X aqueous 76bae/mes x x 0 CaOH+ 0 aqueous 76smi/mar x x CaP207-- 10 aqueous 76smi/mar x x CaPO4- 0 0 CaSO4(aq) aqueous chemval* 0 aqueous supcrt92** x x 0 CaSO4(aq) 0 0 CaSO4(aq) aqueous chemval* 0 aqueous 93sho/kor x x 0 Cd(CH3COO)2(aq) x 0 Cd(CH3COO)3- aqueous 93sho/kor x aqueous supcrt92** X x 0 Cd++ 0 0 Cd++ aqueous 89cox/wag 0 aqueous 93sho/kor x x 0 CdCH3COO+ x 0 CdSeO4(aq) aqueous 76smi/mar X aqueous 93sho/kor X x 0 Ce(CH3COO)2+ x 0 Ce(CH3COO)3(aq/ aqueous 93sho/kor x aqueous supcrt92** X x 0 Ce+++ x 0 CeCH3COO++ aqueous 93sho/kor X aqueous supcrt92** x x 0 Cl- 0 0 Cl- aqueous 89cox/wag 0 0 x Cl- aqueous 84har/mol 0 0 0 0 C10- aqueous 92gre/fug aqueous supcrt92** X x 0 C10- 0 0 C102- aqueous 92gre/fug 0 aqueous supcrt92** X x 0 C102- x 0 C103- aqueous supcrt92** X 0 0 C103- aqueous 2 92gre/fug 0 0 0 X
B-15
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SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW ------C104 - aqueous supcrt92** C104 - aqueous 89cox/wag Co(CH3COO)2(aq) aqueous 93sho/kor Co(CH3COO)3- aqueous 93sho/kor Co(HS)2(aq) aqueous 74nau/ryz Co(OH)2(aq) aqueous 76bae/mes Co(OH)3- aqueous 76smi/mar Co(OH)4-- aqueous 76smi/mar Co++ aqueous supcrt92** Co+++ aqueous supcrt92** Co2(OH)3+ aqueous 76bae/mes Co4(OH)4++++ aqueous 76smi/mar CoBr2(aq) aqueous 82wag/eva CoCH3COO+ aqueous 93sho/kor CoCl+ aqueous 74nau/ryz CoCl+ aqueous 74nau/ryz CoHS+ aqueous 74nau/ryz CoI2(aq) aqueous 82wag/eva CoNO3+ aqueous 76smi/mar CoOH+ aqueous supcrt92** CoS203(aq) aqueous 74nau/ryz CoSO4(aq) aqueous 82wag/eva CoSeO4(aq) aqueous 76smi/mar Cr(OH)2+ aqueous 76bae/mes Cr(OH)3(aq) aqueous 76bae/mes Cr(OH)4- aqueous 76bae/mes Cr++ aqueous 76del/hal Cr+++ aqueous 76del/hal Cr2(OH)2++++ aqueous 76bae/mes Cr207-- aqueous supcrt92** Cr3(OH)4(5+) aqueous 76bae/mes CrBr++ aqueous 76del/hal CrCl++ aqueous 76del/hal CrC12+ aqueous 76del/hal
B-17 SPECIES DATA EQ3/6 DATAFILES *********************************************** **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW ------…------CrO3Cl- aqueous 76del/hal x supcrt92** x CrO4 - - aqueous CrO4--- aqueous 76dei/hal x CrOH++ aqueous 76bae/mes x Cs(CH3COO)2- aqueous 93sho/kor x aqueous supcrt92** x Cs+ 0 Cs+ aqueous 89cox/wag CsBr(aq) aqueous supcrt92** x CsCH3COO(aq) aqueous 93sho/kor x CsCl(aq) aqueous supcrt92** x CsI(aq) aqueous supcrt92** x Cu(CH3COO)2(aq) aqueous 93sho/kor x Cu(CH3COO)2- aqueous 93sho/kor x Cu(CH3COO)3- aqueous 93sho/kor x Cu(C03)2-- aqueous 87woo/gar x Cu(NH3)2++ aqueous 82wag/eva x Cu(NH3)3++ aqueous 82wag/eva x Cu(N02)2(aq) aqueous 82hog x supcrt92** x Cu+ aqueous Cu++ aqueous supcrt92** x aqueous 89cox/wag 0 Cu++ x CuCH3COO(aq) aqueous 93sho/kor aqueous 93sho/kor x CuCH3COO+ x CuCO3(OH)2-- aqueous 87woo/gar CuCO3(aq) aqueous 87woo/gar x aqueous 82wag/eva x CuCl+ x CuC12(aq) aqueous 82wag/eva CuC12- aqueous 82wag/eva x aqueous 82wag/eva x CuC13-- x CuC14-- aqueous 87woo/gar aqueous 76smi/mar x CuF+ x CuH2PO4+ aqueous 79mat/spo aqueous 76smi/mar x CuHP04(aq) x CuNH3++ aqueous 76smi/mar
B-18 ( ( ( (
SPECIES DATA EQ3/6 DATAFILES ****** COMPOSITION**************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
CuNO2+ aqueous 82hog 0 CuO2 - - aqueous 82wag/eva 0 CuOH+ aqueous 87woo/gar 0- CuPO4- aqueous 79mat/spo 0 Decanal(aq) CH3(CH2)8CHO aqueous 93sch/sho 0 Diglycine(aq) C4H8N203 aqueous 92sho 0 Diketopiperazine(aq) C4H6N202 aqueous 92sho 0 Dy(CH3COO)2+ aqueous 93sho/kor 0 Dy(CH3COO)3(aq) aqueous 93sho/kor 0 Dy+++ aqueous supcrt92** 0 DyCH3COO++ aqueous 93sho/kor 0 Er(CH3COO)2+ aqueous 93sho/kor 0 Er(CH3COO)3(aq) aqueous 93sho/kor 0 Er+++ aqueous supcrt92** 0 ErCH3COO++ aqueous 93sho/kor 0 Ethanamine(aq) C2H5NH2 aqueous supcrt92** 0 Ethane(aq) C2H6 aqueous supcrt92** 0 Ethanol(aq) C2H50H aqueous supcrt92** 0 Ethylacetate(aq) CH3COOCH2CH3 aqueous 93sho 0 Ethylbenzene(aq) C6H5C2H5 aqueous supcrt92** 0 Ethylene(aq) C2H4 aqueous supcrt92** 0 Ethyne(aq) C2H2 aqueous supcrt92** 0 Eu(CH3COO)2+ aqueous 93sho/kor 0 Eu(CH3COO)3(aq) aqueous 93sho/kor 0 Eu(C03)2- aqueous 87rar 2 0 Eu(C03)3--- aqueous 87rar 2 0 Eu(HC03)++. aqueous 87rar 2 0 Eu(OH)2+ aqueous 87rar 2 0 Eu(OH)2C03- aqueous 87rar 2 0 Eu(OH)3(aq) aqueous 87rar 2 0 Eu(OH)4- aqueous 87rar 2 0 Eu(S04)2- aqueous 85rar 2 0 Eu++ aqueous supcrt92** 0 aqueous supcrt92** 0
B-19 DATAFILES SPECIES DATA EQ3/6 **************** *********************** ********************************************** TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW NAME COMPOSITION TYPE aqueous 1 87rar 2 X X 0 0 0 0 Eu2(OH)2++++ 0 0 0 0 aqueous 1 85rar 2 X X n EuBr++ aqueos 0 A n6 aqueous ODLUL z 0 0 EuBr2+ x x 0 0 aqueous 85rar 2 EuBrO3++ x x x 0 0 0 aqueous 93sho/kor EuCH3COO++ x x 0 0 0 0 aqueous 87rar 2 EuCO3+ x x 0 0 0 0 aqueous 85rar 2 EuCl++ x x 0 0 0 aqueous 85rar 2 0 EuC12+ x x 0 0 0 0 aqueous 85rar 2 EUF++ x x 0 0 0 0 aqueous 85rar 2 EuF2+ x x 0 0 0 aqueous 85rar 2 0 EuIO3++ x x 0 0 0 aqueous 85rar 2 0 EuNO3++ x x 0 0 0 0 aqueous 87rar 2 EuOH(C03)2-- x x 0 0 0 0 aqueous 87rar 2 EuOH++ x x 0 0 0 0 aqueous 87rar 2 EuOHCO3(aq) x x 0 0 0 0 aqueous 85rar 2 EuSO4+ x x x x 0 aqueous supcrt92** 0 F- 0 0 0 0 0 aqueous 89cox/wag 0 F- x x x 0 0 0 aqueous 93sho/kor Fe(CH3COO)2(aq) 0 0 0 0 aqueous supcrt92** 0 0 Fe(CH3COO)2(aq) 0 0 0 0 aqueous 77mar/smi 0 0 Fe(CH3COO)2+ 0 0 0 0 aqueous 77mar/smi 0 0 Fe(CH3COO)3(aq) 0 0 0 0 aqueous chemval* 0 0 Fe(OH)2(aq) x x 0 0 0 aqueous 76bae/mes 0 Fe(OH)2(aq) 0 0 0 0 aqueous chemval* 0 0 Fe(OH)2(aq) 0 0 0 0 0 0 aqueous chemval* Fe(OH)2+ x x 0 0 0 0 aqueous 76bae/mes Fe(OH)2+ 0 0 0 0 0 0 aqueous chemval* Fe(OH)2+ x x 0 0 0 0 aqueous 82wag/eva Fe(OH)3(aq) 0 0 0 0 0 0 aqueous chemval* Fe(OH)3- x x 0 0 0 0 aqueous 82wag/eva Fe(OH)3- 0 0 0 0 0 0 aqueous chemval* Fe(OH)3- x 0 0 0 0 aqueous 76bae/mes x Fe(OH)4- x 0 0 0 0 .aqueous 82wag/eva x Fe(S04)2 - B- 20 ( ( ( ( (
SPECIES DATA EQ3/6 DATAFILES *********************** *********************************************** **************** TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW NAME COMPOSITION - - …------aqueous 1 supcrt92** x x x x 0 0 Fe++ 0 0 aqueous 0 chemval* 0 0 0 0 0 0 aqueous 1 supcrt92** x x x 0 0 0 aqueous 3 chemval* 0 0 0 0 Fe+++ 0 0 aqueous 0 chemval* 0 0 0 0 Fe2(OH)2++++ 0 0 aqueous 1 82wag/eva x x 0 0 Fe2(OH)2++++ 0 0 aqueous 3 chemval* 0 0 0 0 Fe2(OH)2++++ 0 0 0 aqueous 3 76bae/mes x x 0 Fe3(OH)4(5+) 0 0 0 aqueous 1 93sho/kor x x x FeCH3COO+ 0 0 aqueous 1 supcrt92** 0 0 0 0 FeCH3COO+ 0 0 0 aqueous 3 77mar/smi 0 0 0 FeCH3COO++ 0 0 0 aqueous 3 81tur/whi x x 0 FeCO3(aq) 0 0 0 aqueous 3 81tur/whi x x 0 FeCO3+ 0 0 0 aqueous 1 supcrt92** x x x FeCl+ 0 0 0 aqueous 0 chemval* 0 0 0 FeCl++ 0 0 0 aqueous 1 82wag/eva x x 0 FeCl++ 0 0 0 aqueous 3 chemval* 0 0 0 FeCl++ 0 0 0 aqueous 1 supcrt92** x x x FeC12(aq) 0 0 0 aqueous 3 90db 1 0 0 0 FeC12(aq) 0 0 0 aqueous 3 69hel x x 0 FeC12+ 0 0 0 aqueous 0 chemval* 0 0 0 FeC13(aq) 0 0 0 aqueous 1 82wag/eva 0 0 0 FeC13(aq) 0 0 0 aqueous 3 chemval* 0 0 0 FeC13(aq) 0 0 0 aqueous 3 69hel x x 0 FeC14- 0 0 0 aqueous 3 90db 1 x x 0 FeC14-- 0 0 0 aqueous 3 82hog x x 0 FeF+ 0 0 0 aqueous 1 82wag/eva x x 0 FeF++ 0 0 0 aqueous 1 82wag/eva x x 0 FeF2+ 0 0 0 aqueous 3 82mar/smi 0 0 0 FeF3(aq) 0 0 0 aqueous 3 72nri 1 x x 0 FeH2PO4+ 0 0 0 aqueous 3 791an x x 0 FeH2PO4++ 0 0 0 aqueous 1 73ols/ome 0 0 0 FeH3SiO4++ 0 0 0 aqueous 3 79mat/spo x x 0 FeHC03+ 0 0 0 aqueous 3 82hog x x 0 FeHP04(aq) B-21 SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
FeHP04+ aqueous 76smi/mar FeHS04++ aqueous 89mar/smi FeHSeO3++ aqueous 76smi/mar FeNO2++ aqueous 82mar/smi FeNO3++ aqueous 76smi/mar FeO(aq) aqueous supcrt92** FeOH+ aqueous chemval* FeOH+ aqueous supcrt92** FeOH+ aqueous chemval* FeOH++ aqueous chemval* FeOH++ aqueous 82wag/eva FeOH++ aqueous chemval* FePO4- aqueous 79mat/spo FeSO4(aq) aqueous chemval* FeSO4(aq) aqueous 69iza/eat FeSO4(aq) aqueous chemval* FeSO4+ aqueous chemval* FeSO4+ aqueous 82wag/eva FeSO4+ aqueous chemval* Formaldehyde(aq) HCHO aqueous 93sch/sho Formate HCOO- aqueous supcrt92** Formic acid(aq) HCOOH aqueous supcrt92** Ga+++ aqueous supcrt92** Gd(CH3COO)2+ aqueous 93sho/kor Gd(CH3COO)3(aq) aqueous 93sho/kor Gd+++ aqueous supcrt92** GdCH3COO++ aqueous 93sho/kor Glutamic acid(aq) C5H9N04 aqueous supcrt92** Glutamine(aq) C5H10N203 aqueous supcrt92** Glycine(aq) C2H5N02 aqueous supcrt92** H(o-Phthalate)- aqueous 82mar/smi aqueous supcrt92** aqueous 89cox/wag aqueous 84har/mol
B-22
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SPECIES DATA EQ3/6 DATAFILES ************ *********************************************** **************** LIT.SOURCE COM ALT SUP PIT NEA HMW NAME COMPOSITION TYPE TYPE - - - -x--- …^… U U nU aqueous 1 supcrt92** x x X O 0 H2 (aq) 0U aqueous 1 supcrt92** x x x 0 0 H2AsO3- aqueous 2 92gre/fug 0 0 o 0 x 0 H2AsO3- 0 aqueous 1 supcrt92** x x x x 0 H2AsO4- aqueous 2 92gre/fug 0 0 o 0 x 0 H2As04- 0 0 aqueous 0 82wag/eva 0 o 0 0 H2B407(aq) 0 aqueous 0 chemval* 0 0 o 0 0 H2C03(aq) 0 0 aqueous 3 chemval* 0 o 0 0 H2C03(aq) 0 aqueous 1 76del/hal x x o 0 0 H2CrO4(aq) 0 aqueous 3 80bal/nor x x o 0 0 H2F2(aq) 0 aqueous 1 supcrt92** x x x x 0 H20 0 aqueous 2 89cox/wag 0 0 o 0 0 H20 0 aqueous 3 supcrt92** 0 0 x x H20 0 x aqueous 4 84har/mol 0 0 o 0 H20 0 0 aqueous 0 92gre/fug 0 0 o 0 H202(aq) 0 aqueous 1 92gre/fug 0 0 o 0 x H2P207-- 0 0 aqueous 1 supcrt92** x x x 0 H2P207-- 0 0 aqueous 1 82wag/eva x x o 0 H2PO3F(aq) 0 0 aqueous 1 supcrt92** x x x x H2P04- 0 0 0 aqueous 2 89cox/wag 0 o 0 H2P04- 0 0 aqueous 1 85rar 1 0 0 o 0 H2Ru05(aq) 0 0 aqueous 0 chemval* 0 0 o 0 H2S(aq) 0 0 aqueous 1 supcrt92** x x x 0 H2S(aq) 0 0 aqueous 2 89cox/wag 0 0 o 0 H2S(aq) 0 0 aqueous 3 chemval* 0 0 o 0 H2S(aq) 0 aqueous 1 92gre/fug x x o 0 x H2S03(aq) 0 0 aqueous 43 82arn/sig x x o 0 H2S04(aq) 0 0 aqueous 1 82wag/eva x x o 0 0 0 H2Se(aq) aqueous 1 82wag/eva x x o 0 x 0 H2SeO3(aq) aqueous 1 92gre/fug 0 0 o 0 H2SeO3(aq) 0 0 0 aqueous 0 chemval* 0 o 0 0 0 H2SiO4-- aqueous 1 74nau/ryz x x o 0 H2SiO4-- 0 0 aqueous 3 chemval* 0 0 o 0 H2SiO4-- 0 0 aqueous 1 84rar x x o 0 H2TcO4(aq) B-23 SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
H2V04 - aqueous supcrt92** H3AsO3(aq) aqueous 92gre/fug H3AsO4(aq) aqueous 82wag/eva H3AsO4(aq) aqueous 92gre/fug H3P207- aqueous 92gre/fug H3P207- aqueous supcrt92** H3PO4(aq) aqueous 92gre/fug H3P04(aq) aqueous supcrt92** H3SiO4- aqueous 76bae/mes H3SiO4 - aqueous 76smi/mar H3SiO4- aqueous chemval* H4(H2SiO4)4 ---- aqueous 76smi/mar H4P207(aq) aqueous 82wag/eva H4P207(aq) aqueous 92gre/fug H4P207(aq) aqueous 76smi/mar H6(H2SiO4)4-- aqueous 76smi/mar HAsO2(aq) aqueous 92gre/fug HAsO3F- aqueous 82wag/eva HAsO4-- aqueous supcrt92** HAsO4-- aqueous 92gre/fug HAsS2(aq) aqueous 64sil/mar HB407- aqueous 82wag/eva HBrO(aq) aqueous 92gre/fug HCN(aq) aqueous 93sho/mck HCO3- aqueous chemval* HCO3- aqueous supcrt92** HCO3- aqueous 89cox/wag HCO3- aqueous chemval* HCO3- aqueous 84har/mol HC1(aq) aqueous 87rua/sew HClO(aq) aqueous 92gre/fug HC102(aq) aqueous 92gre/fug HCoO2- aqueous 82wag/eva HCrO4- aqueous supcrt92**
B-24 K ( ( ( ( (
SPECIES DATA EQ3/6 DATAFILES *************************************************************** *********************** COM ALT SUP PIT NEA HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE 0 0 X 0 HF(aq) aqueous 1 92gre/fug 0 0 X 0 0 0 HF(aq) aqueous 1 supcrt92** X X 0 0 0 X 0 HF2- aqueous 1 92gre/fug 0 X X 0 0 0 HF2- aqueous 1 supcrt92** X 0 0 0 0 0 HFeO2- aqueous 1 supcrt92** 0 X 0 0 X 0 HI03(aq) aqueous 1 92gre/fug X X 0 0 X 0 HN3(aq) aqueous 1 92gre/fug X X 0 0 0 HNIO2- aqueous 1 supcrt92** 0 0 X X 0 0 0 0 HN02(aq) aqueous 1 82wag/eva X X 0 0 0 HN03(aq) aqueous 1 supcrt92** X X X X 0 0 0 H02- aqueous 1 supcrt92** X X 0 0 0 0 HP207--- aqueous 1 82wag/eva 0 0 0 0 X 0 HP207--- aqueous 1 92gre/fug X X 0 0 0 0 HP03F- aqueous 1 82wag/eva X X X X 0 0 HP04-- aqueous 1 supcrt92** 0 0 0 0 0 0 HPO4-- aqueous 2 89cox/wag 0 0 0 0 0 0 HPbO2- aqueous 1 supcrt92** X X 0 0 0 0 HRuO5- aqueous 1 85rar 1 X X X 0 0 0 HSu- aqueous 1 supcrt92** 0 0 0 0 0 HS- aqueous 2 89cox/wag 0 X X 0 0 X 0 HS203- aqueous 1 92gre/fug 0 0 0 0 X 0 HS203- aqueous 1 92gre/fug X X X 0 0 0 HS03- aqueous 1 supcrt92** 0 0 0 0 0 0 HS04- aqueous 0 chemval* X X X 0 0 0 HS04- aqueous 1 supcrt92** 0 0 0 0 0 0 HS04- aqueous 2 89cox/wag 0 0 0 0 0 0 HSO4- aqueous 3 chemval* 0 0 0 0 0 X HS04- aqueous 4 84har/mol X X X 0 0 0 HS05- aqueous 1 supcrt92** X X 0 0 0 0 HSb2S4- aqueous 3 89spy/ree X X X 0 0 0 HSe- aqueous 1 supcrt92** 0 0 0 0 X 0 HSeO3- aqueous 1 92gre/fug X X X 0 0 0 HSeO3- aqueous 1 supcrt92** X X X 0 0 0 HSeO4- aqueous 1 supcrt92** B-25 SPECIES DATA EQ3/6 DATAFILES ****** COMPOSITION**************** *********************** NAME COMPOSITION ,TYPE TYPE LIT. SOURCE COM ALT SUP PIT NEA HMW 0 HSiO3 - aqueous supcrt92** x to HTcO4 - aqueous 84rar x 0 HV04-- aqueous supcrt92** x 0 HZnO2- aqueous supcrt92** 0 0 He(aq) aqueous supcrt92** x 0 Heptanal(aq) CH3(CH2)5CHO aqueous 93sch/sho x 0 Heptanoate C6H13COO- aqueous supcrt92** x 0 Heptanoic acid(aq) C6H13COOH aqueous supcrt92** x 0 Hexanal(aq) CH3(CH2)4CHO aqueous 93sch/sho x 0 Hexanoate C5HllCOO- aqueous supcrt92** x 0 Hexanoic acid(aq) C5Hl1COOH aqueous supcrt92** x 0 Hg(CH3COO)2(aq) aqueous 93sho/kor x 0 Hg(CH3COO)3- aqueous 93sho/kor x 0 Hg++ aqueous supcrt92** x 0 0 Hg++ aqueous 89cox/wag 0 Hg2++ aqueous supcrt92** x 0 Hg2++ aqueous 89cox/wag 0 0 HgCH3COO+ aqueous 93sho/kor x 0 Ho(CH3COO)2+ aqueous 93sho/kor x 0 Ho(CH3COO)3(aq) aqueous 93sho/kor x 0 Ho+++ aqueous supcrt92** x 0 HoCH3COO++ aqueous 93sho/kor x 0 I- aqueous supcrt92** x 0 0 I- aqueous 89cox/wag 0 I3- aqueous supcrt92** x 0 10- aqueous supcrt92** x 0 I03- aqueous supcrt92** x 0 0 I03- aqueous 92gre/fug 0 I04- aqueous supcrt92** x aqueous supcrt92** x 0 0 Isoleucine(aq) C6H13NO2 aqueous supcrt92** x 0 K(CH3COO)2- aqueous 93sho/kor x aqueous supcrt92** x 0 aqueous 89cox/wag 0 0
B- 26
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SPECIES DATA EQ3/6 DATAFILES *********************** *********************************************** **************** COM ALT SUP PIT NEA HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE ------…------0 aqueous 4 84har/mol 0 o 0 0 0 aqueous supcrt92** X x x 0 0 0 KBr(aq) 1 aqueous 1 93sho/kor x x x 0 0 0 KCH3COO(aq) 0 aqueous 0 chemval* 0 o 0 0 0 KC1(aq) aqueous 1 supcrt92** x x x 0 0 0 KC1(aq) 0 aqueous 3 82arn/sig 0 o 0 0 0 KC1(aq) 0 to aqueous 3 chemval* 0 o 0 0 0 KC1(aq) 0 aqueous 3 89mar/smi X x 0 0 0 KHPO4- aqueous 1 supcrt92** x x x 0 0 0 KHS04(aq) aqueous 1 supcrt92** x x x 0 0 0 KI(aq) 0 aqueous 0 chemval* 0 o 0 0 0 KOH(aq) 0 0 aqueous 1 supcrt92** 0 o 0 0 KOH(aq) 0 aqueous 3 76bae/mes X x 0 0 0 KOH(aq) 0 aqueous 3 chemval* 0 o 0 0 0 KOH(aq) 0 aqueous 1 82wag/eva x x 0 0 0 KP207 --- 0 aqueous 3 76smi/mar 0 o 0 0 0 KP207--- 0 aqueous 0 chemval* 0 o 0 0 0 KS04- aqueous 1 supcrt92** X x x 0 0 0 KS04- 0 aqueous 3 chemval* 0 o 0 00 0 KSO4 - aqueous 1 supcrt92** X x x 0 0 Kr(aq) 0 aqueous 1 93sho/kor x x x 0 0 La(CH3COO)2+ 0 1 93sho/kor X x x 0 La(CH3COO)3(aq) aqueous t00 .aqueous 1 supcrt92** x x x x 0 La+++ 0 00 aqueous 1 93sho/kor x x x 0 LaCH3COO++ 0 0 aqueous 1 supcrt92** x x x 0 Leucine(aq) C6H13N02 0 0 aqueous 1 92sho x x x 0 Leucylglycine(aq) C8H16N203 0 0 aqueous 1 93sho/kor x x x 0 Li(CH3COO)2- x 0 aqueous 1 supcrt92** X x x 0 Li+ 0 0 0 aqueous 2 89cox/wag 0 o 0 Li+ 0 0 aqueous 1 93sho/kor X x x 0 LiCH3COO(aq) 0 0 aqueous 1 supcrt92** x x x 0 LiCl(aq) 0 0 0 aqueous 3 76bae/mes X x 0 LiOH(aq) 0 0 0 aqueous 3 82mar/smi X x 0 LiSO4- X 0 aqueous 1 93sho/kor x x Lu(CH3COO)2+ B-27 SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW ------…------Lu(CH3COO)3(aq) aqueous 93sho/kor aqueous supcrt92** LuCH3COO++ aqueous 93sho/kor Methanamine(aq) CH3NH2 aqueous supcrt92** Methane(aq) CH4 aqueous chemval* Methane(aq) CH4 aqueous supcrt92** Methane(aq) CH4 aqueous chemval* Methanol(aq) CH30H aqueous supcrt92** Methionine(aq) C5HllNO2S aqueous supcrt92** Mg(CH3COO)2(aq) aqueous 93sho/kor Mg++ aqueous supcrt92** Mg++ aqueous 89cox/wag Mg++ aqueous 84har/mol Mg2CO3++ aqueous 82mar/smi Mg2OH+++ aqueous 82mar/smi Mg4(OH)4++++ aqueous 76bae/mes MgB(OH)4+ aqueous 80bas MgCH3COO+ aqueous 93sho/kor MgCH3COO+ aqueous 89mar/smi MgCO3(aq) aqueous chemval* MgCO3(aq) aqueous supcrt92** MgCO3(aq) aqueous chemval* MgCO3(aq) aqueous 84har/mol MgCl+ aqueous supcrt92** MgF+ aqueous supcrt92** MgH2PO4+ aqueous 89mar/smi MgHC03+ aqueous chemval* MgHC03+ aqueous supcrt92** MgHC03+ aqueous chemval* MgHP207- aqueous 76smi/mar MgHP04(aq) aqueous 76smi/mar MgOH+ aqueous chemval* MgOH+ aqueous supcrt92** MgOH+ aqueous chemval*
B-28
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SPECIES DATA EQ3/6 DATAFILES *********************** *********************************************** **************** NEA HMW COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NAME ------…------0 0 aqueous 4 84har/mol 0 0 0 x MgOH+ 0 aqueous 1 82wag/eva x x 0 0 0 MgP207-- 0 aqueous 3 76smi/mar 0 0 0 0 0 MgP207-- aqueous 3 74tru/jon x x 0 0 0 0 MgPO4 - 0 chemval* 0 0 0 0 0 MgSO4(aq) aqueous 0 aqueous 1 82mar/smi x x 0 0 0 0 MgSO4(aq) 0 3 chemval* 0 0 0 0 0 MgSO4(aq) aqueous 1 93sho/kor x x x 0 0 Mn(CH3COO)2(aq) aqueous 0 aqueous 1 93sho/kor x x x 0 0 0 Mn(CH3COO)3- 3 76smi/mar x x 0 0 0 0 Mn(N03)2(aq) aqueous aqueous 3 76bae/mes x x 0 0 0 0 Mn(OH)2(aq) aqueous 1 82wag/eva x x 0 0 0 Mn(OH)3- 0 aqueous 3 76bae/mes x x 0 0 0 Mn(OH)4-- x aqueous 1 supcrt92** x x x 0 0 Mn++ 0 aqueous 1 76mac x x 0 0 0 Mn+++ 0 aqueous 3 76bae/mes x x 0 0 0 Mn2(OH)3+ 0 aqueous 3 76bae/mes x x 0 0 Mn2OH+++ 0 0 aqueous 1 93sho/kor x x x 0 MnCH3COO+ 0 0 aqueous 3 79mat/spo x x 0 0 MnCO3(aq) 0 0 aqueous 1 supcrt92** x x x 00 MnCl+ 0 0 0 aqueous 1 82wag/eva 0 0 0 MnC12(aq) 0 0 0 aqueous 1 82wag/eva x x 0 MnC13- 0 0 0 aqueous 3 89mar/smi x x 0 MnF+ 0 0 0 aqueous 3 79mat/spo x x 0 0 MnH2PO4+ 0 0 aqueous 1 82wag/eva x x 0 0 MnHCO3+ 0 0 0 aqueous 3 79mat/spo 0 0 0 MnHCO3+ 0 0 aqueous 3 79mat/spo x x 0 0 MnHP04(aq) 0 0 aqueous 3 76smi/mar x x 0 0 MnNO3+ 0 aqueous 1 supcrt92** x x x 0 0 MnO4- 0 aqueous 1 supcrt92** x x x 0 0 MnO4-- 0 0 aqueous 3 76bae/mes x x 0 0 MnOH+ 0 0 aqueous 3 79mat/spo x x 0 0 MnPO4- 0 aqueous 1 supcrt92** x x x 0 0 MnSO4(aq) 0 0 aqueous 3 76smi/mar x x MnSeO4(aq) B-29 SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HNW
MoO4- - aqueous supcrt92** N2(aq) aqueous supcrt92** N3- aqueous 92gre/fug NH3 (aq) aqueous 92gre/fug NH3 (aq) aqueous supcrt92** NH4(CH3COO)2- aqueous 93sho/kor NH4+ aqueous supcrt92** NH4+ aqueous 89cox/wag NH4CH3COO aq) aqueous 93sho/kor NH4SO4- aqueous 82mar/smi NH4SbO2(aq) aqueous 82wag/eva N02- aqueous supcrt92** N03- aqueous supcrt92** N03- aqueous 89cox/wag Na(CH3COO)2- aqueous 93sho/kor Na(o-Phthalate)- aqueous 89mar/smi Na+ aqueous supcrt92** Na+ aqueous 89cox/wag Na+ aqueous 84har/mol Na2CO3(aq) aqueous chemval* Na2CO3(aq) aqueous chemval* Na2P207-- aqueous 76smi/mar Na2SO4(aq) aqueous chemval* Na2SO4(aq) aqueous chemval* NaB(OH)4(aq) aqueous 80bas NaBr(aq) aqueous supcrt92** NaCH3COO(aq) aqueous 93sho/kor NaCH3COO(aq) aqueous 89mar/smi NaCO3- aqueous chemval* NaCO3- aqueous 82wag/eva NaCO3- aqueous chemval* NaCl(aq) aqueous chemval* NaCl(aq) aqueous supcrt92** NaCl(aq) aqueous chemval*
B-30
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SPECIES DATA EQ3/6 DATAFILES *********************************************** **************** *********************** HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA ------…------0 aqueous supcrt92** x x x 0 0 NaF(aq) 0 0 0 0 0 0 NaH3SiO4(aq) aqueous 82arn/sig chemval* 0 0 0 0 0 0 NaHC03(aq) aqueous 82wag/eva x x 0 0 0 0 NaHCO3(aq) aqueous chemval* 0 0 0 0 0 0 NaHC03(aq) aqueous 76smi/mar x x 0 0 0 0 NaHP207-- aqueous 89mar/smi x x 0 0 0 0 NaHP04- aqueous supcrt92** x x x 0 0 0 NaHSiO3(aq) aqueous supcrt92** x x x 0 0 0 NaI(aq) aqueous chemval* 0 0 0 0 0 0 NaOH(aq) aqueous 76bae/mes x x 0 0 0 0 NaOH(aq) aqueous chemval* 0 0 0 0 0 0 NaOH(aq) aqueous 82wag/eva 0 0 0 0 0 0 NaP207--- aqueous 76smi/mar x x 0 0 0 0 NaP207--- aqueous aqueous chemval* 0 0 0 0 0 0 NaSO4- 82mar/smi x x 0 0 0 0 NaSO4- aqueous chemval* 0 0 0 0 0 0 NaSO4- aqueous 93sho/kor x x x 0 0 0 Nd(CH3COO)2+ aqueous 93sho/kor x x x 0 0 0 Nd(CH3COO)3(aq) aqueous aqueous supcrt92** x x x x 0 0 Nd+++ 0 aqueous 93sho/kor x x x 0 0 NdCH3COO++ 0 aqueous supcrt92** x x x 0 0 Ne(aq) 0 aqueous 93sho/kor x x x 0 0 Ni(CH3COO)2(aq) 0 0 aqueous 93sho/kor x x x 0 Ni(CH3COO)3- 0 0 aqueous 82wag/eva x x 0 0 Ni(NH3)2++ 0 0 aqueous 82wag/eva x x 0 0 Ni(NH3)6++ 0 0 aqueous 82wag/eva x x 0 0 Ni(N03)2(aq) 0 0 aqueous 82wag/eva 0 0 0 0 Ni(OH)2(aq) 0 0 aqueous 76smi/mar x x 0 0 Ni(OH)2(aq) 0 0 aqueous 76smi/mar x x 0 0 Ni(OH)3- 0 0 aqueous supcrt92** x x x x Ni++ 76bae/mes x x 0 0 0 0 Ni2OH+++ aqueous 89mar/smi x x 0 0 0 0 Ni4(OH)4++++ aqueous 76smi/mar x x 0 0 0 NiBr+ aqueous B-31 SPECIES DATA EQ3/6 DATAFILES ******* COMPOSITION**************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
NiCH3COO+ aqueous 93sho/kor 0 NiCl+ aqueous supcrt92** ,0 NiHP207- aqueous 82wag/eva 0 NiNO3+ aqueous 76smi/mar 0 NiO(aq) aqueous supcrt92** 0 NiOH+ aqueous supcrt92** 0 NiP207-- aqueous 82wag/eva 0 NiSO4 (aq) aqueous 74nau/ryz 0 NiSeO4 (aq) aqueous 76smi/mar 0 Nonanal(aq) CH3(CH2)7CHO aqueous 93sch/sho 0 Np(C03)2(aq) aqueous 92pal/sil 0 Np(C03)2- aqueous 92pal/sil 0 0 Np(C03)3-- aqueous 92pal/sil Np(C03)3--- aqueous 92pal/sil 0 Np(C03)4---- aqueous 92pal/sil 0 Np(C03)5(6-) aqueous 84lem 0 Np(C03)5(6-) aqueous 84lem 0 Np(C03)5(6-) aqueous 92pal/sil 0 Np(H2P04)2+ aqueous 84lem 0 Np(H2P04)2+ aqueous 84lem 0 Np(H2P04)2+ aqueous 92pal/sil 0 Np(H2P04)2++ aqueous 92pal/sil 0 Np(H2P04)3(aq) aqueous 84lem 0 0 Np(H2P04) 3(aq) I aqueous 84lem Np(H2P04)3(aq) aqueous 92pal/sil 0 Np(H2P04)4(aq) aqueous 92pal/sil 0 Np(H2P04)4- aqueous 92pal/sil 0 Np(HP04)2(aq) aqueous 84lem 0 Np(HP04)2(aq) aqueous 84lem 0 Np(HP04)2(aq) aqueous 92pal/sil 0 0 Np(HP04)3-- aqueous 84lem Np(HP04)3-- aqueous 841em 0 0 Np(HP04)3-- aqueous 92pal/sil Np(HP04)4---- aqueous 84lem 0
B-32
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SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION .TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
Np(HP04)4---- aqueous 841ein 0 Np(HP04)4 ---- aqueous 92pal/sil ,0 Np(HP04)5(6-) aqueous 84lem 0 Np(HP04)5(6-) aqueous 84lem 0 Np(HP04)5(6-) aqueous 92pal/sil 0 Np(N03)2+ aqueous 92pal/sil 0 Np(N03)2++ aqueous 92pal/sil 0 Np(N03)3(aq) aqueous 92pal/sil 0 Np(N03)3+ aqueous 92pal/sil 0 Np(N03)4(aq) aqueous 92pal/sil 0 Np(OH)2+ aqueous 92pal/sil 0 Np(OH)2++ aqueous 841em 0 Np(OH)2++ aqueous 841em 0 Np(OH)2++ aqueous 92pal/sil 0 Np(OH)3(aq) aqueous 92pal/sil 0 Np(OH)3+ aqueous 84lem 0 Np(OH)3+ aqueous 84lem 0 Np(OH)3+ aqueous 92pal/sil 0 Np(OH)4(aq) aqueous 84bem 0 Np(OH)4(aq) aqueous 84lem 0 Np(OH)4(aq) aqueous 92pal/sil 0 Np(OH)5- aqueous 84lem 0 Np(OH)5- aqueous 84lem 0 Np(OH)5- aqueous 92pal/sil 0 Np(SO4)2(aq) aqueous 84lem 0 Np(S04)2(aq) aqueous 841em 0 Np(SO4)2(aq) aqueous 92pal/sil 0 Np(S04)2- aqueous 92pal/sil 0 Np(S04)3-- aqueous 92pal/sil 0 Np+++ aqueous 76fug/oet 0 aqueous 84lem 0 aqueous 76fug/oet 0 Np++++ aqueous 84lem 0 NpC03+ aqueous 92pal/sil 0
B-33 DATA EQ3/6 DATAFILES SPECIES **************** ************ *********************************************** PIT NEA HMW TYPE TYPE LIT.SOURCE COM ALT SUP' NAME COMPOSITION 0 0 0 0 aqueous 3 92pal/sil 0 X 0 0 0 0 NpC03++ aqueous 3 92pal/sil 0 X 0 0 0 0 0 NpCl++ aqueous 1 841em 0 0 0 0 0 0 NpCl+++ aqueous 3 841em X X 0 0 0 0 NpCl+++ aqueous 3 92pal/sil 0 X 0 0 0 0 NpCl+++ aqueous 3 92pal/sil 0 NpC12+ 0 0 0 0 0 aqueous 1 84lem 0 0 0 0 0 0 NpC12++ aqueous 3 841em X NpC12++ X 0 0 0 0 aqueous 3 92pal/sil 0 X 0 0 0 0 NpC12++ aqueous 3 92pal/sil 0 X 0 0 0 0 NpC134+ aqueous 3 92pal/sil 0 0 0 0 0 0 NpF+1+ aqueous 1 841em 0 0 0 0 0 0 NpF+++ aqueous 3 841em X NpF+++ 3 92pal/sil 0 X 0 0 0 0 NpF+++.aqueous X 0 0 0 0 aqueous 3 92pal/sil 0 0 0 0 0 0 NpF2+ aqueous 1 84lem 0 0 0 0 0 0 NpF2++ aqueous 3 84lem X X 0 0 0 0 NpF2++ aqueous 3 92pal/sil 0 X 0 0 0 0 NpF2++ aqueous 3 92pal/sil 0 X 0 0 0 0 NpF3(aq) aqueous 3 92pal/sil 0 X 0 0 0 0 NpF3+ aqueous 3 92pal/sil 0 NpF4(aq) X 0 0 0 0 aqueous 3 92pal/sil 0 X 0 0 0 0 NpF5- aqueous 3 92pal/sil 0 0 0 0 0 0 NpF6-- aqueous 1 841em 0 - - 0 0 0 0 0 NpH2P4+ aqueous 3 841em X X 0 0 0 0 NpH2PO4++ aqueous 3 92pal/sil 0 X 0 0 0 0 NpH2PO4++. aqueous 3 92pal/sil 0 NpH2PO4+++ 0 0 0 0 0 aqueous 1 841em 0 0 0 0 0 0 NpHPO4++. aqueous 3 841em X X 0 0 0 0 NpHP04++ aqueous 3 92pal/sil 0 X 0 0 0 0 NpHP04++ aqueous 3 92pal/sil 0 X 0 0 0 0 NpN03++ aqueous 3 92pal/sil 0 0 0 0 0 0 NpNO3+++ aqueous 1 841em 0 0 0 0 0 0 NpO2(C03)2-- aqueous 3 84lem X NpO2(C03)2-- B- 34
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DATA EQ3/6 DATAFILES SPECIES COM ALT SUP PIT NEA HMW vD TYvpE T.TT.SOURCE '1--J Li r --- - NAME COMPOSITION 0 92pal/sil 0 x 0 0 0 aqueous 3 0 0 0 0 84lem 0 0 NpO2(C03)2-- aqueous 1 0 0 0~ 0 x 0 NpO2(C03)2--- aqueous 3 841em 0 0 0 0 x 0 NpO2(CO3)2--- aqueous 3 92pal/sil 0 0 0 0 0 0 NpO2(C03)2--- aqueous 1 84lem 0 0 0 x 0 0 NpO2(C03)3(5-) aqueous 3 841em 0 0 0 0 x 0 NpO2(C03)3(5-) aqueous 3 92pal/sil 0 0 0 0 0 0 NpO2(C03)3(5-) aqueous 1 84lem 0 0 0 3 x 0 0 NpO2(CO3) ---- aqueous 3 84lem 0 0 0 3 0 x 0 NpO2(CO3) --- aqueous 3 92pal/sil 0 0 0 3 0 x 0 NpO2(CO3) ---- aqueous 3 92pal/sil 0 0 0 0 x 0 NpO2(H2P04)2(aq) aqueous 3 92pal/sil 0 0 0 0 x 0 NpO2(NO3)2(aq) aqueous 3 92pal/sil 0 0 0 3 0 x 0 NpO2(N03)2- aqueous 92pal/sil 0 0 0 3 0 x 0 NpO2(OH)2(aq) aqueous 92pal/sil 0 0 0 3 0 x 0 NpO2(OH)3- aqueous 92pal/sil x 0 0 0 4 3 92pal/sil 0 0 NpO2(OH) -- aqueous 0 0 0 0 1 76fug/oet 0 0 NpO2(S04)2-- aqueous 0 x 0 0o 1 x x 0 NpO2+ aqueous 84lem 0 x 0 1 76fug/oet x x 0 NpO2+ aqueous 0 0 0 1 x x 0 NpO2++ aqueous 84lem 0 0 0 3 0 x 0 NpO2++ aqueous 92pal/sil 0 0 0 0 3 1 0 0 NpO2CO (aq) aqueous 84lem 0 0 0 0 3 x 0 NpO2CO3- aqueous 84lem x 0 0 0 3 92pal/sil 0 0 NpO2CO3- aqueous 0 0 0 0 1 84lem 0 0 NpO2CO3- aqueous 0 0 0 0 3 84lem x 0 NpO2Cl(aq) aqueous 0 x 0 0 0 3 92pal/sil 0 NpO2Cl(aq) aqueous 0 0 0 0 0 1 84lem 0 NpO2Cl(aq) aqueous 0 0 0 0 3 841em x 0 NpO2Cl+ aqueous 0 x 0 0 0 3 92pal/sil 0 NpO2Cl+ aqueous 0 x 0 0 0 3 92pal/sil 0 NpO2Cl+ aqueous 0 x 0 0 0 3 92pal/sil 0 NpO2C12(aq) aqueous 0 0 0 0 0 NpO2C12 - aqueous 1 84lem NpO2F(aq) B-35 SPECIES DATA EQ3/6 DATAFILES ****** COMPOSITION**************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
NpO2F(aq) aqueous 84lem NpO2F(aq) aqueous 92pal/sil NpO2F+ aqueous 84lem NpO2F+ aqueous 84lem- NpO2F+ aqueous 92pal/sil NpO2F2(aq) aqueous 84lem NpO2F2(aq) aqueous 84lem NpO2F2(aq) aqueous 92pal/sil NpO2F3- aqueous 92pal/sil NpO2F4-- aqueous 92pal/sil NpO2H2PO4(aq) aqueous 84lem NpO2H2PO4(aq) aqueous 84lem NpO2H2PO4(aq) aqueous 92pal/sil NpO2H2PO4+ aqueous 84lem NpO2H2PO4+ aqueous 84lem NpO2H2PO4+ aqueous 92pal/sil NpO2HPO4(aq) aqueous 84lem NpO2HPO4(aq) aqueous 84lem NpO2HPO4(aq) aqueous 92pal/sil NpO2HPO4- aqueous 84lem NpO2HPO4- aqueous 84lem NpO2HPO4- aqueous 92pal/sil NpO2NO3(aq) aqueous 92pal/sil NpO2NO3+ aqueous 92pal/sil NpO2OH(aq) aqueous 841em NpO2OH(aq) aqueous 84lem NpO2OH(aq) aqueous 92pal/sil NpO2OH+ aqueous 84lem NpO2OH+ aqueous 84lem NpO2OH+ aqueous 92pal/sil NpO2PO4-- aqueous 92pal/sil NpO2SO4(aq) aqueous 84lem NpO2S04(aq) aqueous 84lem NpO2SO4(aq) aqueous 92pal/sil
B-36
( ( ( ( (
SPECIES DATA EQ3/6 DATAFILES *********************** *********************************************** **************** COM ALT SUP PIT NEA HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE ------~~~~------0--- 0--- 0-- 0--- 0-- 84lem 0 0 0 0 0 0 NpO2SO4- aqueous 1 aqueous 3 84lem x 0 0 0 0 0 NpO2SO4- aqueous 3 92pal/sil 0 x 0 0 0 0 NpO2SO4- 0 aqueous 1 84lem 0 0 0 0 0 NpOH++ 0 3 84lem x 0 0 0 0 NpOH++ aqueous x aqueous 3 92pal/sil 0 0 0 0 0 NpOH++ 0 84lem 0 0 0 0 0 NpOH+++ aqueous 1 3 84lem x 0 0 0 0 0 NpOH+++ aqueous 3 92pal/sil 0 x 0 0 0 0 NpOH+++ aqueous x aqueous 3 92pal/sil 0 0 0 0 0 NpS04+ 0 aqueous 1 841em 0 0 0 0 0 NpSO4++ 0 aqueous 3 84lem x 0 0 0 0 NpSO4++ aqueous 3 92pal/sil 0 x 0 0 NpSO4++ aqueous 1 supcrt92** x x x x 0 0 02(aq) 0 0 aqueous 2 89cox/wag 0 0 0 0 02(aq) 0 0 0 aqueous 2 89cox/wag 0 0 02(g) 0 0 0 x aqueous 4 84har/mol 0 0 02(g) 0 0 0 0 aqueous 0 chemval* 0 0 OH- x 0 aqueous 1 supcrt92** x x x 0 OH- 0 0 0 0 aqueous 2 89cox/wag 0 0 OH- 0 0 0 0 aqueous 3 chemval* 0 0 OH- 0 0 0 x aqueous 4 84har/mol 0 0 OH- 0 0 aqueous 1 93sch/sho x x x 0 Octanal(aq) CH3(CH2)6CHO 0 0 aqueous 1 supcrt92** x x x 0 Octanoate C7H15COO- x 0 0 aqueous 1 supcrt92** x x Octanoic acid(aq) C7H15COOH 0 0 0 0 x 0 aqueous 1 92gre/fug P207---- 0 x 0 0 aqueous 2 82wag/eva x x P207 ---- 0 0 0 0 aqueous 1 82wag/eva x x PH4+ 0 0 0 0 aqueous 1 82wag/eva x x P03F-- 0 0 0 0 x 0 aqueous 1 92gre/fug P04 --- x x 0 0 aqueous 1 supcrt92** x x P04--- 0 0 0 0 x 0 aqueous 2 92gre/fug P04 --- x 0 0 0 aqueous 1 93sho/kor x x Pb(CH3COO)2(aq) 0 0 0 0 0 0 aqueous 1 supcrt92** Pb(CH3COO)2(aq) B-37 SPECIES DATA EQ3/6 DATAFILES *********************************************** **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW ------…------Pb(CH3COO)3- aqueous 93sho/kor x aqueous supcrt92** x Pb++ 0 Pb++ aqueous 89cox/wag aqueous 74pou x Pb++++ x PbCH3COO+ aqueous 93sho/kor aqueous supcrt92** 0 PbCH3COO+ x PbCl+ aqueous supcrt92** aqueous supcrt92** x PbC12(aq) x PbC13- aqueous supcrt92** aqueous supcrt92** x PbC14-- x PbF+ aqueous 82wag/eva aqueous 82wag/eva x PbF2(aq) 0 PbF3- aqueous 80bal/nor aqueous 8Obal/nor 0 PbF4-- x PbH2PO4+ aqueous 76smi/mar 2 x PbHP04(aq) aqueous 72nri aqueous supcrt92** 0 PbO(aq) 0 PbOH+ aqueous supcrt92** aqueous supcrt92** x Pd++ x Pentanal(aq) CH3(CH2)3CHO aqueous 93sch/sho aqueous supcrt92** x Pentanoate C4H9COO- x Pentanoic acid(aq) C4H9COOH aqueous supcrt92** aqueous supcrt92** x Phenol(aq) C6H50H x Phenylalanine(aq) C9HllNO2 aqueous supcrt92** aqueous 93sho/kor x Pr(CH3COO)2+ x Pr(CH3COO)3(aq) aqueous 93sho/kor aqueous supcrt92** x Pr+++ x PrCH3COO++ aqueous 93sho/kor aqueous 93sch/sho x Propanal(aq) CH3CH2CHO x Propane(aq) C3H8 aqueous supcrt92** C2H5COO- aqueous supcrt92** x Propanoate x Propanoic acid(aq) C2H5COOH aqueous supcrt92** aqueous 92pal/sil x Pu(C03)2(aq) x Pu(C03)2- aqueous 92pal/sil
B-38 ( ( ( (; ( (
SPECIES DATA EQ3/6 DATAFILES *********************** ******************************,***************** **************** LIT.SOURCE COM ALT SUP PIT NEA HMW NAME COMPOSITION TYPE TYPE 3 92pal/sil 0 x 0 0 0 ,0 Pu(CO3) 3-- aqueous 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(CO3)3-- 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(CO3)4 ---- 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(C03)5(6-) 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(H2PO4)2+ 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(H2PO4)2++ 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(H2PO4)3(aq) 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(H2PO4)4(aq) 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(H2PO4)4- 0 aqueous I 80lem/tre x 0 0 0 0 Pu(HPO4)2(aq) 0 aqueous 3 80lem/tre 0 0 0 0 0 Pu(HPO4)2(aq) 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(HPO4)2(aq) 0 0 aqueous 1 80lem/tre x 0 0 0 Pu(HP04)3-- 0 0 aqueous 3 80lem/tre 0 0 0 0 Pu(HPO4)3-- 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(HPO4)3-- 0 0 aqueous 1 80lem/tre x 0 0 0 Pu(HPO4)4 ---- 0 0 aqueous 3 80lem/tre 0 0 0 0 Pu(HPO4)4---- 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(HPO4)4---- 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(HPO4)5(6-) 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(NO3)2+ 0 aqueous 3 92pal/sil x 0 0 0 Pu(NO3)2++ 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(NO3)3(aq) 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(NO3)3+ I 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(NO3)4(aq) 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(OH)2+ 0 0 aqueous 1 80lem/tre x 0 0 0 Pu(OH)2++ 0 0 aqueous 3 80lem/tre 0 0 0 0 Pu(OH)2++ 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(OH)2++ 0 aqueous 3 92pal/sil 0 x 0 0 0 Pu(OH)3(aq) 0 0 aqueous 1 80lem/tre x 0 0 0 Pu(OH)3+ 0 0 0 aqueous 3 80lem/tre 0 0 0 Pu(OH)3+ 0 0 aqueous 3 92pal/sil 0 x 0 0 Pu(OH)3+ 0 0 aqueous 1 80lem/tre x 0 0 0 Pu(OH)4(aq) 0 0 0 0 aqueous 3 80lem/tre 0 0 Pu(OH)4(aq) B-39 SPECIES DATA EQ3/6 DATAFILES ******************** **************** ***********I************ NAME COMPOSITION TYPE TYPE LIT. SOURCE COM ALT SUP PIT NEA HMW
Pu(OH)4(aq) aqueous 92pal/sil Pu(OH) 5- aqueous 80lem/tre Pu(OH) 5- aqueous 80lem/tre Pu(OH) 5- aqueous 92pal/sil Pu(SO4)2(aq) aqueous 801em/tre Pu(S04)2(aq) aqueous 80lem/tre Pu(S04)2(aq) aqueous 92pal/sil Pu(S04)2- aqueous 92pal/sil Pu(S04)2- aqueous chemval* Pu(SO4)3-- aqueous 92pal/sil Pu+++4 aqueous 76fug/oet Pu+++. aqueous 80lem/tre Pu+.++ aqueous 80lem/tre Pu++++ aqueous 76fug/oet Pu++++ aqueous 801em/tre PuCO3+ aqueous 92pal/sil PuCO3++ aqueous 80lem/tre PuCO3++ aqueous 85sil/nit PuCO3++ aqueous 92pal/sil PuCl++ aqueous 92pal/sil PuCl+++. aqueous 80lem/tre PuCl+++. aqueous 92pal/sil PuC12+ aqueous 92pal/sil PuC12++ aqueous 92pal/sil PuC13+ aqueous 80lem/tre PuC13+ aqueous 92pal/sil PuF++ aqueous 92pal/sil PuF+++ aqueous 80lem/tre PuF+++ aqueous 80lem/tre PuF+++ aqueous 84nas/cle PuF+++. aqueous 92pal/sil PuF2+ aqueous 92pal/sil PuF2++ aqueous 84nas/cle PuF2++ aqueous 92pal/sil
B-40
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SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** ***********,************ NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
PuF3 (aq) aqueous 92pal/sil x o 0 0 0 PuF3+ aqueous 84nas/cle 0 o 0 0 PuF3+ aqueous 92pal/sil x o 0 0 PuF4 (aq) aqueous 84nas/cle 0 o 0 0 PuF4 (aq) aqueous 92pal/sil x o o 0 PuF5- aqueous 92pal/sil x o o 0 PuF6- - aqueous 92pal/sil x o o 0 0 PuH2PO4++ aqueous 80lem/tre o o 0 0 PuH2PO4++ aqueous 80lem/tre o o 0 PuH2PO4++ aqueous 92pal/sil x o o 0 PuH2PO4+++ aqueous 92pal/sil x o 0 0 0 PuHP04++ aqueous 80lem/tre o o 0 0 PuHP04++ aqueous 80lem/tre o o 0 PuHP04++ aqueous 92pal/sil x o 0 0 PuNO3++ aqueous 92pal/sil x o 0 0 PuNO3+++ aqueous 92pal/sil x o 0 0 0 PuO2(C03)2-- aqueous 80lem/tre o o 0 0 PuO2(C03)2-- aqueous 80lem/tre o 0 0 PuO2(C03)2-- aqueous 92pal/sil x o o 0 PuO2(C03)2--- aqueous 92pal/sil x o 0 0 PuO2(C03)3(5-) aqueous 92pal/sil x o o 0 PuO2(C03)3 ---- aqueous 92pal/sil x o 0 0 PuO2(H2P04)2(aq) aqueous 92pal/sil x o o 0 PuO2(N03)2(aq) aqueous 92pal/sil x o 0 0 PuO2(N03)2- aqueous 92pal/sil x o 0 0 PuO2(OH)2(aq) aqueous 92pal/sil x o 0 0 PuO2(OH)3- aqueous 92pal/sil x o 0 0 PuO2(OH)4-- aqueous 92pal/sil x o 0 0 PuO2(S04)2-- aqueous 92pal/sil x o 0 0 0 PuO2+ aqueous 76fug/oet 0, 0 0 PuO2+ aqueous 80lem/tre x 0 0 0 0 Pu02+ aqueous 80lem/tre 0 0 0 0 PuO2++ aqueous 76fug/oet 0 0 0 PuO2++ aqueous 80lem/tre x 0 0
B-41 SPECIES DATA EQ3/6 DATAFILES *********************** ********************* **************** ALT SUP PIT NEA HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE COM
aqueous 80lem/tre 0 0 0 0 PuO2++ 0 0 aqueous 92pal/sil 0 x PuO2CO3(aq) 0 0 aqueous 92pal/sil 0 x PuO2CO3- 0 0 aqueous 92pal/sil 0 x PuO2Cl(aq) 0 0 aqueous 80lem/tre X 0 PuO2Cl+ 0 0 aqueous 80lem/tre 0 0 PuO2Cl+ 0 0 aqueous 92pal/sil 0 x PuO2Cl+ 0 0 aqueous 92pal/sil 0 x PuO2C12(aq) 0 0 aqueous 92pal/sil 0 x PuO2C12- 0 0 aqueous 92pal/sil 0 x PuO2F(aq) 0 0 aqueous 801em/tre X 0 PuO2F+ 0 0 aqueous 801em/tre 0 0 PuO2F+ 0 10 aqueous 92pal/sil 0 x PuO2F+ 0 0 aqueous 80lem/tre X 0 PuO2F2(aq) 0 0 aqueous 80lem/tre 0 0 PuO2F2(aq) 0 0 aqueous 92pal/sil 0 x PuO2F2(aq) 0 0 aqueous 80lem/tre X 0 PuO2F3- 0 0 aqueous 80lem/tre 0 0 PuO2F3- 0 0 aqueous 92pal/sil 0 x PuO2F3- 0 0 aqueous 80lem/tre X 0 PuO2F4-- 0 0 aqueous 80lem/tre 0 0 PuO2F4-- 0 0 aqueous 92pal/sil 0 x PuO2F4-- 0 0 aqueous 92pal/sil 0 x PuO2H2PO4(aq) 0 0 aqueous 80lem/tre X 0 PuO2H2PO4+ 0 0 aqueous 801em/tre 0 0 PuO2H2PO4+ 0 0 aqueous 92pal/sil 0 x PuO2H2PO4+ 0 0 aqueous 92pal/sil 0 x PuO2HPO4(aq) 0 0 aqueous 92pal/sil 0 x PuO2HPO4- 0 0 aqueous 92pal/sil 0 x PuO2NO3(aq) 0 0 aqueous 92pal/sil 0 x PuO2NO3+ 0 0 aqueous 80lem/tre X 0 PuO2OH(aq) 0 0 aqueous 80lem/tre 0 0 PuO2OH(aq) 0 0 aqueous 92pal/sil 0 x PuO2OH(aq) 0 80lem/tre X 0 0 PuO2OH+ aqueous B-42
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SPECIES DATA EQ3/6 DATAFILES *********************** ****** COMPOSITION**************** PIT NEA HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP
aqueous 3 80lem/tre 0 0 0 0 PuO20H+ 0 aqueous 3 92pal/sil 0 x 0 PuO2OH+ 0 aqueous 3 92pal/sil 0 x 0 PuO2PO4-- 0 aqueous 1 80lem/tre x 0 0 PuO2SO4(aq) 0 aqueous 3 80lem/tre 0 0 0 PuO2SO4(aq) 0 aqueous 3 92pal/sil 0 x 0 PuO2SO4(aq) 0 aqueous 3 92pal/sil 0 x 0 PuO2SO4- 0 aqueous 1 80lem/tre x 0 0 PuOH++ 0 aqueous 3 80lem/tre 0 0 0 PuOH++ 0 aqueous 3 92pal/sil 0 x 0 PuOH++ 0 aqueous 1 80lem/tre x 0 0 PuOH+++ 0 aqueous 3 80lem/tre 0 0 0 PuOH+++ 0 aqueous 3 92pal/sil 0 x 0 PuOH+++ 0 aqueous 1 80lem/tre x 0 0 PuSO4+ 0 aqueous 3 80lem/tre 0 0 0 PuSO4+ 0 aqueous 3 92pal/sil 0 x 0 PuSO4+ 0 aqueous 1 80lem/tre x 0 0 PuSO4++ 0 aqueous 3 80lem/tre 0 0 0 PuSO4++ 0 aqueous 3 92pal/sil 0 x 0 PuSO4++ 0 aqueous 1 93sho/kor x x x Ra(CH3COO)2(aq) 0 aqueous 1 supcrt92** x x x Ra++ 0 aqueous 1 93sho/kor x x x RaCH3COO+ 0 aqueous 1 93sho/kor x x x Rb(CH3COO)2- 0 aqueous 1 supcrt92** x x x Rb+ 0 aqueous 2 89cox/wag 0 0 0 Rb+ 0 aqueous 1 supcrt92** x x x RbBr(aq) 0 aqueous 1 93sho/kor x x x RbCH3COO(aq) 0 aqueous 1 supcrt92** x x x RbCl(aq) 0 aqueous 1 supcrt92** x x x RbF(aq) 0 aqueous 1 supcrt92** x x x RbI(aq) 0 aqueous 1 supcrt92** x x x ReO4- 0 aqueous 1 supcrt92** x x x Rn(aq) 0 aqueous 1 85rar 1 x x 0 Ru(C1)2+ 1 x x 0 0 Ru(Cl)3(aq) aqueous 85rar 1
B-43 SPECIES DATA EQ3/6 DATAFILES *********************** ****** COMPOSITION**************** ALT SUP PIT NEA HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE COM 85rar 1 x Ru(OH) 2+ aqueous x Ru(OH) 2++ aqueous 85rar 1 85rar 1 x Ru(OH) 2Cl+ aqueous x Ru(OH)2Cl2(aq) aqueous 85rar 1 aqueous 85rar 1 x Ru(OH)2Cl3- x Ru(OH)2Cl4-- aqueous 85rar 1 aqueous 85rar 1 x Ru(OH)2S04(aq) x Ru(OH)4(aq) aqueous 87rar 1 1 x Ru(S04)2- aqueous 85rar 1 x Ru++ aqueous 85rar 85rar 1 x Ru+++ aqueous 1 x Ru4(OH)12++++ aqueous 85rar 1 x RuCl+ aqueous 85rar 85rar 1 x RuCl++ aqueous 85rar 1 x RuC14- aqueous 85rar 1 x RuC15-- aqueous 85rar 1 x RuC16--- aqueous 85rar 1 x RuO4(aq) aqueous 85rar 1 x RuO4- aqueous 85rar 1 x RuO4-- aqueous 85rar 1 x RuOH++ aqueous 85rar 1 x RuSO4(aq) aqueous aqueous 85rar 1 x RuSO4+ 0 aqueous chemval* aqueous 82wag/eva x 92gre/fug 0 S- aqueous aqueous chemval* 0 chemval* 0 S2-- aqueous aqueous supcrt92** x S2-- 0 S203-- aqueous 92gre/fug aqueous supcrt92** x S203-- x S204-- aqueous supcrt92** aqueous supcrt92** x S205-- x S206-- aqueous supcrt92**
B-44
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SPECIES DATA EQ3/6 DATAFILES *********************** ****** COMPOSITION**************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW 0 S208-- aqueous 1 supcrt92** x x x aqueous 1 supcrt92** x x x 0 S3-- x x 0 S306-- aqueous 1 supcrt92** x aqueous 1 supcrt92** x x x 0 S4-- x x 0 S406-- aqueous 1 supcrt92** x aqueous 1 supcrt92** x x x 0 S5-- x x 0 S506-- aqueous 1 supcrt92** x aqueous 1 92gre/fug x x 0 x SCN - x x 0 S02(aq) aqueous 1 supcrt92** x aqueous 1 92gre/fug 0 0 0 x S03- - x x 0 S03-- aqueous 1 supcrt92** x 0 chemval* 0 0 0 0 S04 - - aqueous 1 supcrt92** x x x 0 S04 - - aqueous 2 0 0 0 0 S04-- aqueous 89cox/wag aqueous 3 chemval* 0 0 0 0 S04 - - 4 84har/mol 0 0 0 0 S04- - aqueous 3 x x 0 0 Sb(OH) 2+ aqueous 89spy/ree 1 0 0 0 0 Sb(OH)2F(aq) aqueous 82wag/eva 3 x x 0 0 Sb(OH)2F(aq) aqueous 89spy/ree 1 x x 0 0 Sb(OH)3(aq) aqueous 82wag/eva 3 x x 0 0 Sb(OH)4- aqueous 89spy/ree 3 x x 0 0 Sb2S4-- aqueous 89spy/ree 1 x x 0 0 SbC14- aqueous 74nau/ryz 1 0 0 0 0 SbO+ aqueous 82wag/eva 1 0 0 0 0 SbO2- aqueous 82wag/eva 1 0 0 0 0 SbOF(aq) aqueous 82wag/eva 1 x x 0 Sc(CH3COO)2+ aqueous 93sho/kor x 1 x x 0 Sc(CH3COO)3(aq) aqueous 93sho/kor x aqueous 1 supcrt92** x x x 0 1 x x x 0 ScCH3COO++ aqueous 93sho/kor 1 x x 0 0 Se-- aqueous 74nau/ryz 1 0 0 0 x SeO3-- aqueous 92gre/fug 1 supcrt92** x x x 0 SeO3-- aqueous 1 supcrt92** x x x 0 SeO4-- aqueous
B-45 EQ3/6 DATAFILES SPECIES DATA **************** *********************** *********************************************** TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW NAME COMPOSITION -- ~~- -~ ------x - - - - 1 supcrt92** 0 0 X 0 x 0 Serine(aq) C3H7NO3 aqueous 1 92gre/fug 0 0 0 0 x 0 Si(OH)4(aq) aqueous 1 92gre/fug 0 0 0 0 x 0 Si2O2(OH)5- aqueous aqueous 1 92gre/fug 0 0 0 0 x 0 Si2o3(OH)4-- 1 aqueous 92gre/fug 0 0 0 0 x 0 Si305(OH)5--- aqueous 1 92gre/fug 0 0 0 0 x 0 Si306(OH)3--- 1 aqueous 92gre/fug x x 0 0 x 0 Si4O7(OH)5 --- aqueous 1 92gre/fug x x 0 0 Si408(OH)4 ---- x 0 aqueous 1 supcrt92** 0 0 0 0 SiF6-- 0 x aqueous 1 92gre/fug 0 0 0 0 SiO(OH)3- 0 x aqueous 1 92gre/fug x x 0 0 SiO2(OH)2-- x 0 aqueous 1 supcrt92** x x 0 0 SiO2(aq) x 0 aqueous 1 93sho/kor x x 0 0 Sm(CH3COO)2+ x 0 aqueous 1 93sho/kor x x 0 0 Sm(CH3COO)3(aq) x 0 1 supcrt92** x x 0 Sm++ aqueous x x 0 aqueous 1 supcrt92** x x 0 Sm+++ x 0 0 aqueous 1 93sho/kor 0 SmCH3COO++ 0 0 0 0 0 aqueous 1 84jac/hel 0 Sn(OH)2(aq) x x 0 0 0 aqueous 3 84jac/hel 0 Sn(OH)2(aq) 0 0 0 0 0 aqueous 1 84jac/hel 0 Sn(OH)2++ x x 0 0 0 aqueous 3 84jac/hel 0 Sn(OH)2++ 1 0 0 0 0 0 aqueous 84jac/hel 0 Sn(OH)3+ 3 x x 0 0 0 aqueous 84jac/hel 0 Sn(OH)3+ 1 0 0 0 0 0 aqueous 84jac/hel 0 Sn(OH)3- x x 0 0 0 aqueous 3 84jac/hel 0 Sn(OH)3- 1 0 0 0 0 0 aqueous 84jac/hel 0 Sn(OH)4(aq) 3 x x 0 0 0 aqueous 84jac/hel 0 Sn(OH)4(aq) x x 0 0 0 aqueous 1 82wag/eva 0 Sn(S04)2(aq) 1 x x x 0 0 aqueous supcrt92** 0 Sn++ 2 0 0 0 0 0 aqueous 89cox/wag 0 Sn++ x x 0 0 0 aqueous 1 84jac/hel 0 Sn++++ x x 0 0 0 aqueous 3 84jac/hel 00o SnCl+ 3 x x 0 0 0 aqueous 84jac/hel 0 SnCl2(aq) x x 0 0 0 aqueous 3 84jac/hel SnC13- B-46
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SPECIES DATA EQ3/6 DATAFILES ***********,************ ******************** **************** PIT NEA HMW NAME COMPOSITION . TYPE TYPE LIT.SOURCE COM ALT SUP aqueous 3 84jac/hel x x 0 0 0 SnF+ 0 0 aqueous 0 84jac/hel 0 0 0 SnF+++ 0 0 aqueous 3 84jac/hel x x 0 SnF2(aq) 0 0 aqueous 0 84jac/hel 0 0 0 SnF2++ 0 0 aqueous 0 84jac/hel 0 0 0 SnF3+ 0 0 aqueous 3 84jac/hel x x 0 SnF3- 0 0 aqueous 0 84jac/hel 0 0 0 SnF4 (aq) 0 0 aqueous 1 84jac/hel 0 0 0 SnOH+ 0 0 aqueous 3 84jac/hel x x 0 SnOH+ 0 aqueous 1 84jacjhel 0 0 0 0 SnOH+++ 0 0 aqueous 3 84jac/hel x x 0 SnOH+++ 0 0 aqueous 1 82wag/eva x x 0 SnSO4++ 0 0 aqueous 1 93sho/kor x x x Sr(CH3COO)2(aq) 0 0 aqueous 1 supcrt92** x x x Sr++ 0 aqueous 2 92gre/fug 0 0 0 x Sr++ 0 0 aqueous 1 93sho/kor x x x SrCH3COO+ 0 aqueous 3 89mar/smi 0 0 0 0 SrCH3COO+ 0 0 aqueous 1 supcrt92** x x x SrCO3(aq) 0 0 aqueous 1 supcrt92** x x x SrCl+ 0 aqueous 0 chemval* 0 0 0 0 SrC12(aq) 0 0 aqueous 3 chemval* 0 0 0 SrC12(aq) 0 0 aqueous 1 supcrt92** x x x SrF+ 0 0 aqueous 3 76smi/mar x x 0 SrH2P04+ 0 0 aqueous 1 supcrt92** 0 0 0 SrHC03+ 0 0 aqueous 3 76smi/mar x x 0 SrHP04(aq) 0 0 aqueous 3 76smi/mar x x 0 SrNO3+ 0 0 aqueous 0 chemval* 0 0 0 SrOH+ 0 0 aqueous 3 76bae/mes x x 0 SrOH+ 0 0 aqueous 3 chemval* 0 0 0 SrOH+ 0 0 aqueous 3 76smi/mar x x 0 SrP207-- 0 0 aqueous 0 chemval* 0 0 0 SrSO4(aq) x x 0 0 0 SrS04(aq) aqueous 3 83rea chemval* 0 0 0 0 0 SrS04(aq) aqueous 3 93sho/kor x x x 0 0 Tb(CH3COO)2+ aqueous 1
B-47 SPECIES DATA EQ3/6 DATAFILES **************** *********************** ********************** TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW NAME COMPOSITION TYPE aqueous 1 93sho/kor x x x 0 0 0 Tb(CH3COO)3(aq) x x aqueous 1 supcrt92** x x 0 0 Tb+++ x x aqueous 1 93sho/kor x 0 0 0 TbCH3COO++ x 0 aqueous 1 83rar x 0 0 0 Tc++ x 0 aqueous 1 83rar x 0 0 0 Tc+++ x 0 aqueous 1 83rar x 0 0 0 TcO(OH)2(aq) x 0 aqueous 1 83rar X 0 0 0 TcO++ x 0 aqueous 1 84rar x 0 0 0 TcO4- x 0 aqueous 1 84rar x 0 0 0 TcO4-- x 0 aqueous 1 84rar X 0 0 0 TcO4--- x 0 aqueous 1 83rar x 0 0 0 TcOOH+ x 0 aqueous 1 801an/her X 0 0 0 Th(H2PO4)2++ x 0 aqueous 1 801an/her X 0 0 to Th(HPO4)2(aq) x 0 aqueous 1 801an/her x 0 0 0 Th(HPO4)3-- x 0 aqueous 1 801an/her x 0 0 0 Th(OH)2++ x 0 aqueous 1 801an/her X 0 0 0 Th(OH)3+ x 0 aqueous 1 801an/her X 0 0 0 Th(OH)4(aq) 0 0 aqueous 3 76bae/mes 0 0 0 0 Th(OH)4(aq) x 0 aqueous 1 801an/her X 0 0 0 Th(S04)2(aq) x 0 aqueous 1 801an/her X 0 0 0 Th(S04)3-- x 0 aqueous 1 80lan/her X 0 0 0 Th(S04)4 ---- 0 aqueous 2 76fug/oet X x x 0 0 Th++++ x 0 aqueous 1 801an/her X 0 0 0 Th2(OH)2(6+) x 0 0 aqueous 1 801an/her X 0 0 Th4(OH)8(8+) x 0 0 aqueous 1 801an/her X 0 0 Th6(OH)15(9 +) x 0 0 0 aqueous 1 801an/her X 0 ThCl+++ x 0 0 0 aqueous 1 801an/her X 0 ThC12++ x 0 0 0 aqueous 1 801an/her X 0 ThC13+ x 0 0 0 0 aqueous 1 80lan/her X ThC14(aq) x 0 0 0 0 aqueous 1 801an/her X ThF+++ x 0 0 0 0 aqueous 1 801an/her X ThF2++ x 0 0 0 0 aqueous 1 801an/her X ThF3+ x 0 0 0 0 aqueous 1 80lan/her X ThF4(aq) x 0 0 0 aqueous 1 801an/her X ThH2PO4+++ B-48
( ( ( ( ( (
SPECIES DATA EQ3/6 DATAFILES
NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW ------…------0 0 0 ThH3PO4++++ aqueous 80lan/her X x 0 0 0 ThHP04++ aqueous 801an/her X x 0 0 0 0 0 0 ThOH+++ aqueous 82wag/eva X x 0 0 0 ThSO4++ aqueous 801an/her X x 0 x 0 0 0 Threonine(aq) C4H9N03 aqueous supcrt92** X x x 0 0 0 0 Ti(OH)4(aq) aqueous 81bar/lan X x 0 0 0 Tl(CH3COO)2- aqueous 93sho/kor X x x x 0 0 T1+ aqueous supcrt92** X x aqueous supcrt92** X x x 0 0 0 X x 0 0 0 TlCH3COO(aq) aqueous 93sho/kor x X x x 0 0 0 Tm(CH3COO)2+ aqueous 93sho/kor 93sho/kor X x x 0 0 0 Tm(CH3COO)3(aq) aqueous 0 x x 0 Tm+++ aqueous supcrt92** X x 0 X x x 0 0 TmCH3COO++ aqueous 93sho/kor 0 X x x 0 0 Toluene(aq) C6H5CH3 aqueous supcrt92** 0 X x x 0 0 Tryptophan(aq) CllH12N202 aqueous supcrt92** 0 X x 0 0 Tyrosine(aq) C9HllNO3 aqueous supcrt92** x 0 0 0 0 0 0 0 U(CH3COO)2+ aqueous 93sho/kor 0 0 0 0 0 0 U(CH3COO)3(aq) aqueous 93sho/kor 0 x 0 0 x U(C03)4 ---- aqueous 92gre/fug X 0 0 0 0 0 0 U(C03)5(6-) aqueous chemval* 0 92gre/fug X x 0 0 x U(C03)5(6-) aqueous 0 0 0 0 0 0 U(C03)5(6-) aqueous chemval* 0 0 0 0 0 0 U(HP04)2(aq) aqueous 781an 0 0 0 0 0 0 U(HP04)3-- aqueous 781an 0 0 0 0 0 0 U(HP04)4 ---- aqueous 781an 0 X x 0 0 x U(N03)2++ aqueous 92gre/fug 0 0 0 0 0 0 U(OH)2+ aqueous 80all/kip 0 0 0 0 0 0 U(OH)2++ aqueous 781an 0 0 0 0 0 0 U(OH)3(aq) aqueous 80all/kip 0 0 0 0 0 0 U(OH)3+ aqueous 781an 0 0 0 0 0 0 U(OH)4(aq) aqueous chemval* 0 X x 0 0 x U(OH)4(aq) aqueous 92gre/fug 0 0 0 0 0 0 U(OH)4(aq) aqueous chemval*
B-49 SPECIES DATA EQ3/6 DATAFILES *********************** *********************************************** **************** COM ALT SUP PIT NEA HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE ------0 aqueous 80all/kip 0 0 0 U(OH)4- 0 aqueous 92gre/fug 0. 0 U(OH) 5- 0 aqueous 92gre/fug x 0 U(SCN)2++ 0 0 aqueous chemval* 0 U(S04)2(aq) 0 aqueous 92gre/fug x 0 U(S04)2(aq) 0 0 chemval* 0 U(S04)2(aq) aqueous 0 aqueous 92gre/fug x 0 U+++ 0 aqueous 92gre/fug x 0 U++++ 0 0 aqueous 80all/kip 0 U2(OH)2(6+) 0 0 aqueous 80all/kip 0 U2(OH)2++++ 0 0 aqueous 80all/kip 0 U2(OH)3(5+) 0 0 aqueous 80all/kip 0 U2(OH)4++++ 0 0 aqueous 80all/kip 0 U2(OH) 5+++ 0 0 781an 0 U6(OH)15(9+) aqueous 0 aqueous 92gre/fug x 0 UBr+++ 0 0 aqueous 93sho/kor 0 UCH3COO++ 0 0 chemval* 0 UC1+++ aqueous x 0 aqueous 92gre/fug 0 UC1+++ 0 0 aqueous chemval* 0 UC1+++ 0 0 aqueous 82wag/eva 0 UC14(aq) 0 aqueous 92gre/fug x 0 UF+++ 0 aqueous 92gre/fug x 0 UF2++ 0 aqueous 92gre/fug x 0 UF3+ 0 aqueous 92gre/fug x 0 UF4(aq) 0 aqueous 92gre/fug x 0 UF5- 0 aqueous 92gre/fug x 0 UF6-- 0 0 aqueous 781an 0 UHP04++ 0 aqueous 92gre/fug x 0 UI+++ 0 aqueous 92gre/fug x 0 UN03 +++ 0 0 aqueous 76smi/mar 0 UN03+++ 0 0 aqueous 93sho/kor 0 U02(CH3COO)2(aq) 0 0 aqueous 89mar/smi 00o U02(CH3COO)2(aq) 0 0 aqueous 93sho/kor 0 U02(CH3COO)3- 0 89mar/smi 0 U02(CH3COO)3- aqueous B-50 ( ( (f ( (
SPECIES DATA EQ3/6 DATAFILES ****** COMPOSITION**************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
U02(C03)2-- aqueous chemval* o 0 0 o 0 U02(C03)2-- aqueous 92gre/fug x x 0 x 0 0 U02(C03)2-- aqueous chemval* o 0 o o aqueous 92gre/fug x x 0 x 0 U02(C03)3(5-) 0 U02(C03)3---- aqueous chemval* o 0 o 0 aqueous 92gre/fug x x 0 x 0 U02(C03)3---- 0 U02(C03)3---- aqueous chemval* o 0 o 0 aqueous 92gre/fug x x 0 x 0 U02(H2P04)(H3PO4)+ 0 U02(H2P04)(H3P04)+ aqueous 84tri o 0 o o aqueous 92gre/fug x x 0 x 0 U02(H2P04)2(aq) 0 U02(H2P04)2(aq) aqueous 84tri o 0 o 0 aqueous 781an o 0 0 o 0 U02(H2P04)3- 0 U02(HPO4)2-- aqueous 781an o 0 o 0 U02(HPO4)2-- aqueous 821an/don o o 0 o 0 U02(I03)2(aq) aqueous 92gre/fug x x 0 x 0 U02(N3)2(aq) aqueous 92gre/fug x x 0 x 0 U02(N3)3- aqueous 92gre/fug x x 0 x 0 aqueous 92gre/fug x x 0 x 0 U02(N3)4-- 0 U02(N03)2(aq) aqueous 78cor/oha o 0 o o U02(OH)2(aq) aqueous 92gre/fug x x 0 o o U02(OH)2- aqueous 80all/kip o o 0 o 0 U02(OH)3- aqueous 92gre/fug x x 0 x 0 U02(OH)4-- aqueous 92gre/fug x x 0 x 0 0 U02(SCN)2(aq) aqueous 92gre/fug x x x 0 0 U02(SCN)3- aqueous 92gre/fug x x x 0 U02(S03)2-- aqueous 92gre/fug x x 0 x 0 0 U02(S04)2-- aqueous chemval* o o o o 0 U02(S04)2-- aqueous 92gre/fug x x x 0 0 U02(S04)2-- aqueous chemval* o o o 0 0 0 U02+ aqueous chemval* o 0 0 0 U02+ aqueous 92gre/fug x x x 0 0 0 U02+ aqueous chemval* o 0 0 0 U02++ aqueous chemval* o o 0 0 U02++ aqueous 2 89cox/wag x x 0 X 0 0
B-51 SPECIES DATA E03/6 DATAFILES *********************** ****** COMPOSITION**************** SUP PIT NEA HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT
aqueous chemval* 0 0 U02++ x x U02Br+ aqueous 92gre/fug aqueous 92gre/fug x x UO2BrO3+ 0 aqueous 93sho/kor 0 U02CH3COO+ 0 aqueous 89mar/smi 0 UO2CH3COO+ 0 0 U02C03(aq) aqueous chemval* aqueous 92gre/fug x x U02C03(aq) 0 aqueous chemval* 0 U02C03(aq) 0 0 U02C1+ aqueous chemval* aqueous 92gre/fug x x UO2C1+ 0 aqueous chemval* 0 UO2C1+ 0 0 U02C12(aq) aqueous chemval* aqueous 92gre/fug x x U02C12(aq) 0 0 U02C12(aq) aqueous chemval* aqueous 92gre/fug x x U02C103+ x x U02F+ aqueous 92gre/fug 92gre/fug x x U02F2(aq) aqueous aqueous 92gre/fug x x U02F3- x x U02F4-- aqueous 92gre/fug aqueous 92gre/fug x x U02H2P04+ 0 0 U02H2P04+ aqueous 84tri aqueous 92gre/fug x x UO2H3PO4++ 0 aqueous 84tri 0 U02H3P04++ x x U02HP04(aq) aqueous 92gre/fug aqueous 92gre/fug x x U02I03+ x x U02N3+ aqueous 92gre/fug aqueous 92gre/fug x x U02N03+ 0 aqueous 80all/kip 0 U02OH(aq) 0 0 U020H+ aqueous chemval* aqueous 92gre/fug x x U020H+ 0 aqueous chemval* 0 U020H+ x x U02P04- aqueous 92gre/fug aqueous 92gre/fug x x U02S203(aq) x x U02SCN+ aqueous 92gre/fug
B-52 ( ( (
SPECIES DATA EQ3/6 DATAFILES *********************** ****** COMPOSITION**************** ALT SUP PIT NEA HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE COM aqueous 1 92gre/fug x x 0 0 x 0 U02S03(aq) 0 0 0 aqueous 0 chemval* 0 o 0 U02S04(aq) 0 x 0 aqueous 1 92gre/fug x x 0 U02S04(aq) 0 0 0 aqueous 3 chemval* 0 o 0 U02S04(aq) 0 0 0 aqueous 1 781an 0 o 0 UO2SiO(OH)3+ 0 0 0 aqueous 3 80all/kip 0 o 0 UOH++ 0 0 0 aqueous 0 chemval* 0 o 0 UOH+++ 0 x 0 aqueous 1 92gre/fug x x 0 UOH+++ 0 0 0 aqueous 3 chemval* 0 o 0 UOH+++ 0 x 0 aqueous 1 92gre/fug x x 0 USCN+ ++ 0 0 0 aqueous 0 chemval* 0 o 0 US04++ 0 x 0 aqueous 1 92gre/fug x x 0 US04++ 0 0 0 aqueous 3 chemval* 0 o 0 US04++ 0 0 0 aqueous 1 93sho/mck x x x Urea(aq) 0 0 0 aqueous 1 781an x x 0 V(OH)2+ 0 0 0 aqueous 1 76isr/mei x x 0 V+++ 0 0 0 aqueous 3 76bae/mes x x 0 V2(OH)2++++ 0 0 0 aqueous 3 76bae/mes x x 0 VO(OH)3(aq) 0 0 0 aqueous 1 supcrt92** x x x VO++ 0 0 0 aqueous 3 82hog x x 0 V02(HP04)2--- 0 0 0 aqueous 3 76bae/mes x x 0 V02(OH)2- 0 0 0 aqueous 1 supcrt92** x x x V02+ 0 0 0 aqueous 3 76smi/mar x x 0 V02F(aq) 0 0 0 aqueous 3 76smi/mar x x 0 V02F2- 0 0 0 aqueous 0 76smi/mar 0 o 0 VO2F3-- 0 0 0 aqueous 3 82hog x x 0 V02H2P04(aq) 0 0 0 aqueous 3 82hog x x 0 V02HP04- 0 0 0 aqueous 3 82hog x x 0 V02S04- 0 0 0 aqueous 3 76bae/mes x x 0 VO3OH-- 0 0 0 aqueous 1 82wag/eva x x 0 V04 --- 0 0 0 aqueous 3 76smi/mar x x 0 VOF+ 0 0 0 aqueous 3 76smi/mar x x 0 VOF2(aq) 0 0 0 aqueous 1 71ahr 0 o 0 VOF3 - 0 0 0 aqueous 1 71ahr 0 o *o VOF4-- B-53 SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW …--. VOH++ aqueous 76bae/mes 10 VOOH+ aqueous 76bae/mes 0 VOS04(aq) aqueous 71bai 0 VS04+ aqueous 82hog 0 Valine(aq) C5H11NO2 aqueous supcrt92** 0 W04- - aqueous supcrt92** 0 Xe(aq) aqueous supcrt92** 0 Y(CH3COO)2+ aqueous 93sho/kor 0 Y(CH3COO)3(aq) aqueous 93sho/kor 0 Y+++ aqueous supcrt92** 0 YCH3COO++ aqueous 93sho/kor 0 Yb(CH3COO)2+ aqueous 93sho/kor 0 Yb(CH3COO)3(aq) aqueous 93sho/kor 0 Yb++ aqueous supcrt92** 0 Yb+++ aqueous supcrt92** 0 YbCH3COO++ aqueous 93sho/kor 0 Zn(CH3COO)2(aq) aqueous 93sho/kor 0 Zn(CH3COO)2(aq) aqueous supcrt92** 0 Zn(CH3COO)3- aqueous 93sho/kor 0 Zn(CH3COO)3- aqueous supcrt92** 0 Zn++ aqueous supcrt92** 0 Zn++ aqueous 89cox/wag 0 ZnCH3COO+ I aqueous 93sho/kor 0 ZnCH3COO+ aqueous supcrt92** 0 ZnCl+ aqueous suport92** 0 ZnCl+ aqueous 87bou/bar 0 ZnCl2(aq) aqueous supcrt92** 0 ZnCl2(aq) aqueous 87bou/bar 0 ZnC13- aqueous supcrt92** 0 ZnC13- aqueous 87bou/bar 0 ZnCl4-- aqueous supcrt92** 0 ZnCl4-- aqueous 87bou/bar 0 ZnF+ aqueous 76smi/mar 0 ZnH2PO4+ aqueous 76smi/mar 0
B-54 ( ( ( (
SPECIES DATA EQ3/6 DATAFILES *********************** *********************************************** **************** COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW NAME ------…------0 0 0 0 ZnHC03+ aqueous 3 87bou/bar x x X X 0 0 0 0 ZnHP04(aq) aqueous 3 76smi/mar 0 0 0 0 0 0 ZnO(aq) aqueous 1 supcrt92** 0 0 0 0 0 0 ZnO2-- aqueous 1 supcrt92** 0 0 0 0 0 ZnOH+ aqueous 1 supcrt92** 0 x x 0 0 0 ZnOH+ aqueous 3 87bou/bar 0 3 79mat/spo x x 0 0 0 ZnPO4- aqueous 0 3 x x 0 0 0 ZnSeO4(aq) aqueous 76smi/mar 0 x x lo0 Zr(OH)2++ aqueous 1 74nau/ryz 0 0 0 74nau/ryz x x 0 0 Zr(OH)3+ aqueous 1 0 0 x 0 Zr(OH)4(aq) aqueous 1 74nau/ryz x 0 0 0 1 74nau/ryz x x 0 0 Zr(SO4)2(aq) aqueous 0 0 1 74nau/ryz x x 0 0 '0 Zr(S04)3-- aqueous x 0 1 74nau/ryz x 0 0 0 Zr++++. aqueous 0 1 74nau/ryz x x 0 ZrF+++ aqueous 0 0 0 1 74nau/ryz x x 0 ZrF2++ aqueous 0 0 0 1 74nau/ryz x x 0 ZrF3+ aqueous 0 0 0 1 74nau/ryz x x 0 ZrF4(aq) aqueous 0 0 0 1 74nau/ryz x x 0 0 ZrF5- aqueous x 0 0 aqueous 1 74nau/ryz x 0 0 0 0 ZrF6-- x aqueous 1 74nau/ryz x 0 0 0 0 ZrOH+++ 0 0 1 74nau/ryz x x 0 0 ZrS04++ aqueous x x 0 aqueous 1 supcrt92** X 0 0 a-Aminobutyric acid(aq) C4H9N02 0 0 0 aqueous 1 supcrt92**l 0 0 0 m-Xylene(aq) C6H4(CH3)2 0 1 supcrt92** X x x 0 n-Butane(aq) C4H10 aqueous x 0 0 1 supcrt92** X x 0 0 n-Butylbenzene(aq) C6H5C4H9 aqueous 0 1 supcrt92** X x x 0 0 n-Heptane(aq) C7H16 aqueous 0 1 supcrt92** X x x 0 n-Heptylbenzene(aq) C6H5C7H15 aqueous x 0 0 1 supcrt92** x x 0 0 n-Hexane(aq) C6H14 aqueous x 0 1 supcrt92** x x 0 0 n-Hexylbenzene(aq) C6H5C6H13 aqueous x 0 1 supcrt92** X x 0 0 n-Octane(aq) C8H18 aqueous 0 1 supcrt92** X x x 0 0 n-Octylbenzene(aq) C6H5C8H17 aqueous x 0 1 supcrt92** x x 0 0 n-Pentane(aq) C5H12 aqueous 0 1 supcrt92** X x x n-Pentylbenzene(aq) C6H5C5H11 aqueous B-55 SPECIES DATA EQ3/6 DATAFILES *********************** ****** COMPOSITION**************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
n-Propylbenzene(aq) C6H5C3H7 aqueous supcrt92** x o-Phthalate C804H4 aqueous 85wol x o-Phthalic acid(aq) aqueous 89mar/smi x o-Xylene(aq) C6H4(CH3)2 aqueous supcrt92** 0 p-Xylene(aq) C6H4(CH3)2 aqueous supcrt92** 0 (As2O5)3:5H20 mineral 92gre/fug 0 (Pb(OH)2)3.PbCl2 mineral 82wag/eva x (U02)2As2O7 mineral 92gre/fug x (U02)2Cl3 mineral 92gre/fug x (U02)2P207 mineral 92gre/fug x (U02)3(AsO4)2 mineral 92gre/fug x (U02)3(P04)2 mineral 92gre/fug x (U02)3(P04)2 mineral 84tri 0 (U02)3(P04)2:4H20 mineral 92gre/fug x (VO)3(P04)2 mineral 82wag/eva x Acanthite Ag2S mineral supcrt92** x 0 Acmite NaFeSi2O6 mineral supcrt92** Afwillite Ca3Si204(OH)6 mineral 82sar/bar x Ag mineral supcrt92** x Ag mineral 89cox/wag 0 Ag(g) mineral 89cox/wag x 0 Ag3PO4 mineral 73don Ag3PO4 mineral 76smi/mar x Ahlfeldite NiSeO3:2H20 mineral 74nau/ryz x mineral supcrt92** x Akermanite Ca2MgSi2O7 x Al mineral 89cox/wag mineral 74tru/jon 0 Al(OH)3(am) x Al(g) mineral 89cox/wag mineral 79rob/hem x A12(S04)3 x A12(S04)3:6H20 mineral 82wag/eva mineral 89cox/wag x AlF3 x Alabandite MnS mineral supcrt92** PbSiO3 mineral 82wag/eva x Alamosite x Albite NaAlSi3O8 mineral supcrt92**
B-56
( ( ( ( ( (
SPECIES DATA EQ3/6 DATAFILES *********************** ****** COMPOSITION**************** TYPE LIT. SOURCE COM ALT SUP PIT NEA HMW NAME COMPOSITION TYPE x 0 0 0 Albite high NaAlSi308 mineral 1 supcrt92** x x x mineral 1 supcrt92** x 0 0 0 Albite low NaAlSi3O8 0 0 0 mineral 1 supcrt92** 0 0 0 Almandine Al2Fe3(SiO4)3 x x 0 mineral 82wag/eva O 0 0 Alstonite BaCa(C03)2 1 0 x x x 0 0 Alum-K KAl(S04)2:12H20 mineral 2 73bar/kna x 1 supcrt92** x x 0 0 Alunite KAl3(OH)6(S04)2 mineral 0 0 76oet/ran x x 0 0 Am mineral 1 0 x 3 86ker/sil x x 0 0 Am(OH) 3 mineral x x 0 x mineral 3 86ker/sil 0 0 Am(OH)3(am) 0 x mineral 3 86ker/sil x x 0 0 AmOHCO3 x x 0 0 mineral 1 78wol 0 0 Amesite-14A Mg4Al4Si2OlO(OH)8 0 0 0 0 mineral 1 supcrt92** 0 0 Amesite-14A Mg4Al4Si2OlO(OH)8 0 0 0 0 mineral 1 78wol 0 0 Amesite-7a Mg2Al2SiO5(OH)4 0 0 0 0 1 supcrt92** 0 0 Amesite-7a Mg2Al2SiO5(OH)4 mineral x x 0 0 mineral 1 82joh/flo 0 0 Analcime Na.96Al.96Si2.0406:H20 0 0 0 1 supcrt92** x 0 0 Analcime Na.96Al.96Si2.0406:H20 mineral x x 0 0 mineral 1 82joh/flo 0 0 Analcime-dehy Na.96Al.96Si2.0406 0 0 0 1 supcrt92** x 0 0 Analcime-dehy Na.96Al.96Si2.0406 mineral 0 1 supcrt92** x x x 0 0 Andalusite Al2SiO5 mineral x 0 1 supcrt92** x x 0 0 Andradite Ca3Fe2(SiO4)3 mineral x x x x mineral 1 supcrt92** 0 0 Anglesite PbSO4 0 0 0 0 2 89cox/wag 0 0 Anglesite PbSO4 mineral x x x x mineral 1 supcrt92** 0 Anhydrite CaSO4 0 0 0 0 4 84har/mol 0 x Anhydrite CaSO4 mineral x 0 1 supcrt92** x x 0 0 Annite KFe3AlSi3OlO(OH)2 mineral x x x 0 0 mineral 1 supcrt92** 0 Anorthite CaAl2(SiO4)2 x x 0 x x mineral 1 84har/mol 0 Antarcticite CaCl2:6H20 0 0 0 x xX 4 84har/mol 0 Antarcticite CaCl2:6H20 mineral x 0 0 1 supcrt92** x x 0 Anthophyllite Mg7Si8022(OH)2 mineral x x x 0 0 mineral 1 supcrt92** 0 Antigorite Mg48Si24085(OH)62 0 x 0 1 82wag/eva x x 0 Antlerite Cu3(S04)(OH)4 mineral x 0 x x mineral 1 84har/mol x 0 Aphthitalite NaK3(S04)2 0 0 0 x x 4 84har/mol 0 Aphthitalite NaK3(S04)2 mineral x 0 0 1 supcrt92** x x Ar(g) mineral B-57 SPECIES DATA EQ3/6 DATAFILES *********************** ***** COMPOSITION**************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
Ar(g) mineral 89cox/wag Aragonite CaCO3 mineral supcrt92** Aragonite CaCO3 mineral 84har/mol Arcanite K2S04 mineral 79rob/hem Arcanite K2S04 mineral 84har/mol Arsenolite As203 mineral 79rob/hem Arsenopyrite FeAsS. mineral 82wag/eva Artinite Mg2CO3(OH)2:3H20 mineral supcrt92** As mineral 79rob/hem As mineral 92gre/fug As205 mineral 82wag/eva As205 mineral 92gre/fug As4O6(mono) mineral 92gre/fug As4O6(octa) mineral 92gre/fug Atacamite Cu4Cl2(OH)6 mineral 87woo/gar Au mineral supcrt92** Autunite-H H2(U02)2(P04)2 mineral 781an Autunite-K K2(U02)2(P04)2 mineral 781an Autunite-Na Na2(U02)2(P04)2 mineral 781an Autunite-Sr Sr(U02)2(P04)2 mineral 781an Azurite Cu3(C03)2(OH)2 mineral supcrt92** B mineral 89cox/wag B(g) mineral 89cox/wag B203 mineral 89cox/wag BF3(g) mineral 89cox/wag Ba mineral 79rob/hem Ba mineral 92gre/fug Ba(OH)2:8H20 mineral 82wag/eva Ba2CaUO6 mineral 92gre/fug Ba2MgUO6 mineral 92gre/fug Ba2Si308 mineral 82wag/eva Ba2SiO4 mineral 82wag/eva Ba2SrUO6 mineral 92gre/fug Ba2U207 mineral 92gre/fug
B-58
( ( (. ( ( (
SPECIES DATA EQ3/6 DATAFILES *********************** ****** COMPOSITION**************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
mineral 82wag/eva 0 0 0 0 Ba3(AsO4)2 x x x Ba3UO6 mineral 92gre/fug x mineral 82wag/eva x x x 0 BaBr2 0 mineral 82wag/eva x x x BaBr2:2H20 x x x 0 BaCl2 mineral 82wag/eva mineral 92gre/fug 0 0 0 x BaCl2 0 mineral 82wag/eva x x x BaCl2:2H20 x x x 0 BaCl2:H20 mineral 82wag/eva mineral 76del/hal x x x 0 BaCrO4 0 mineral 90crc 0 0 0 BaHPO4 0 mineral 76smi/mar x x x BaHPO4 x x x 0 BaI2 mineral 85cha/dav mineral 82wag/eva x x 0 0 BaMnO4 0 mineral 82wag/eva x x x BaO 0 0 0 x BaO mineral 92gre/fug mineral 82wag/eva x x 0 0 BaS x x 0 0 BaSeO3 mineral 82wag/eva mineral 82wag/eva x x 0 0 BaSeO4 0 mineral 82wag/eva x x 0 BaSiF6 0 0 0 0 BaSiO3 mineral 82wag/eva mineral 92gre/fug x x x x BaU207 0 0 0 0 BaUO3 mineral 92gre/fug mineral 92gre/fug x x x x BaUO4 0 0 mineral 74nau/ryz x x BaZrO3 0 0 ZrO2 mineral 79rob/hem x x Baddeleyite x 0 BaSO4 mineral supcrt92** x x Barite 0 0 BaCa(C03)2 mineral 82wag/eva x x Barytocalcite x 0 CaSO4:1/2H20 mineral 82wag/eva x x Bassanite x 0 Fe(U02)2(P04)2 mineral 781an x x Bassetite 0 mineral 89cox/wag x x x Be 0 mineral 89cox/wag 0 0 x Be(g) 0 mineral 92gre/fug x x 0 Bel3U 0 0 Ca.165Al2.33Si3.67010(OH)2 mineral 78wol x x Beidellite-Ca x x 0 0 Beidellite-Cs Cs.33Si3.67Al2.33010(OH)2 mineral 88db 4
B-59 SPECIES DATA E03/6 DATAFILES *********************** ****** COMPOSITION**************** SOURCE COM ALT SUP PIT NEA HMW NAME COMPOSITION TYPE TYPE LIT. mineral 1 78wol 0 0 0 0 Beidellite-H H.33Al2.33Si3.67010(OH)2 x x 0 0 0 0 mineral 1 78wol x x Beidellite-K K.33Al2.33Si3.67010(OH)2 0 0 0 0 mineral 1 78wol x x go Beidellite-Mg Mg.165A12.33Si3.67010(OH)2 0 0 0 mineral 1 78wol 10 Beidellite-Na Na.33A12.33Si3.67010(OH)2 0 x 0 mineral 1 82wag/eva 0 Berlinite AlP04 x 0 0 mineral 1 supcrt92** 0 Berndtite SnS2 0 0 0 0 0 mineral 1 79rob/hem 0 Bi 0 x 0 mineral 1 82wag/eva x x 0 Bieberite CoSO4:7H20 0 0 0 mineral 1 ss*** 0 Biotite K(Mg, Fe) 3AlSi3Ol0 (OH) 2 0 x 0 mineral 1 83ker Birnessite Mn8O14:5H20 0 x 0 mineral 1 84har/mol 0 Bischofite MgCl2:6H20 0 0 0 x 0 mineral 4 84har/mol x Bischofite MgCl2:6H20 0 x 0 mineral 79rob/hem x x x Bixbyite Mn203 1 0 x 0 2 mineral 84har/mol 0 Bloedite Na2Mg(S04)2:4H 0 0 0 0 4 84har/mol 0 x 0 Bloedite Na2Mg(S04)2:4H20 mineral 0 mineral 1 supcrt92** x x x x 0 Boehmnite Al02H 0 0 0 mineral 1 82hem x x 0 Boltwoodite KH3OUO2SiO4 0 0 0 mineral 1 82hem x x 0 Boltwoodite-Na Na.7K.3H3O1UO2SiO4:H20 0 0 0 mineral 12 82wag/eva 0 Borax Na2[B405(OH)4]:8H20 0 0 0 mineral 2 89cox/wag 0 Boric acid B(OH)3 x 0 0 mineral 1 supcrt92** 0X Bornite Cu5FeS4 0 0 0 0 0 mineral 2 89cox/wag 0X Br(g) 0 x 0 mineral 2 89cox/wag x 0 Br2(g) X 0 x 0 mineral 2 89cox/wag x 0 Br2(l) 0 0 0 mineral 2 78vau/cra 0 Brezinaite Cr3S4 0 x 0 mineral 1 87woo/gar 0 Brochantite Cu4(S04)(OH)6 I 0 0 0 0 0 mineral 1 supcrt92** 0 Bromellite BeO 0 x 0 mineral 2 89cox/wag x x x Bromellite BeO x x 0 mineral 1 supcrt92** 0 Brucite Mg(OH)2 0 0 0 mineral 4 84har/mol 0 0 0 Brucite Mg(OH)2 0 0 0 0 0 mineral 0 9Ocrc Brushite CaHP04:2H20 0 x 0 0 mineral 3 76ben/ada x x Brushite CaHPO4:2H20 x 0 x mineral 1 supcrt92** x Bunsenite NiO 0 0 0 x mineral 1 84har/mol Burkeite Na6CO3(S04)2 0 0 0 4 84har/mol 0 0 Burkeite Na6CO3(S04)2 mineral B-60
( ( ( ( (
SPECIES DATA EQ3/6 DATAFILES *********************** *********************************************** **************** COM ALT SUP PIT NEA HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE ------~~~~su------x-crt 2*------supcrt92** X 0 0 C mineral 0 0 0 0 0 C mineral 89cox/wag x x 0 0 C(g) mineral 89cox/wag x x x 0 0 C2H4 (g) mineral 93sho x x x x 0 0 CH4 (g) mineral supcrt92** x 93sho x X 0 0 CO (g) mineral 0 x x 0 0 CO(g) mineral 89cox/wag x x x mineral supcrt92** 0 0 C02(g) 0 0 0 mineral 89cox/wag 0 C02 (g) 0 0 0 x 84har/mol C02 (g) mineral x x 0 x 0 Ca mineral 89cox/wag x x 0 x 0 Ca(g) mineral 89cox/wag x x 0 0 supcrt92** x Ca-Al Pyroxene CaAl2SiO6 mineral 0 x 0 82sar/bar x x Ca2Al2O5:8H20 mineral x x 0 x x 2 mineral 84har/mol Ca2Cl2(OH)2:H 0 0 0 0 x x mineral 84har/mol Ca2Cl2(OH)2:H20 x x 0 0 0 Ca2V207 mineral 82wag/eva x x 0 x 0* Ca3(AsO4)2 mineral 82wag/eva x x 0 x 0 mineral 82sar/bar Ca3A1206 0 0 0 0 0 mineral 92gre/fug Ca3UO6 x 0 0 0 mineral 82wag/eva k Ca3V2O8 x x 0 0 0 mineral 82sar/bar Ca4Al2Fe2O10 x x 0 x 0 Ca4A1207:13H20 mineral 82sar/bar x 0 x 0 82sar/bar x Ca4A1207:19H20 mineral x x 0 x x mineral 84har/mol Ca4Cl2(OH)6:13H20 0 0 0 x x mineral 84har/mol Ca4Cl2(OH)6:13H20 0 0 0 0 0 mineral 82sar/bar Ca6Al4Fe2Ol5 0 x 0 82sar/bar x x CaAl204 mineral x 0 x 0 82sar/bar x CaAl2O4:10H20 mineral x x 0 x 0 mineral 82sar/bar CaAl407 0 0 0 0 x mineral 84har/mol CaC12:4H20 0 0 0 0 0 mineral 82wag/eva CaCl2:H20 x x 0 x 0 mineral 82wag/eva CaSO4:0.5H20(beta) x x 0 0 0 CaSeO3:2H20 mineral 74nau/ryz B-61 SPECIES DATA EQ3/6 DATAFILES *********************** ****** COMPOSITION**************** COM ALT SUP PIT NEA H1MW NAME COMPOSITION TYPE TYPE LIT.SOURCE
CaSeO4 mineral 90crc 0 mineral 76smi/mar x CaSeO4 0 CaUO4 mineral chemval* mineral 92gre/fug x CaUO4 0 CaUO4 mineral chemval* 82wag/eva x CaV206 mineral x CaZrO3 mineral 74nau/ryz mineral 74mil x Cadmoselite CdSe 0 Calcite CaCO3 mineral chemval* mineral supcrt92** x Calcite CaCO3 0 mineral chemval* Calcite CaCO3 0 Calcite CaCO3 mineral 84har/mol 89cox/wag x Calomel Hg2C12 mineral x Carbonate-Calcite (Ca,MnZn;MgFe,Sr)003 mineral ss*** x Carnallite KMgC13:6H2O mineral 84har/mol 84har/mol 0 Carnallite KMgC13:6H20 mineral x Carnotite K2(U02)2(V04)2 mineral 781an mineral supcrt92** x Cassiterite SnO2 0 Cassiterite SnO2 mineral 89cox/wag 78vau/cra x Cattierite CoS2 mineral x Cd mineral 89cox/wag 89cox/wag x Cd(g) mineral 76del/hal x CdCr2O4 mineral x CdSO4:2.667H20 mineral 92gre/fug 82wag/eva x CdSeO3 mineral x CdSeO4 mineral 82wag/eva 79rob/hem x Ce mineral x KMgAlSi4OlO(OH)2 mineral 78wol Celadonite 0 Celadonite KMgAlSi4l0(OH)2 mineral supcrt92** chemval* 0 Celestite SrS04 mineral x SrS04 mineral supcrt92** Celestite 0 mineral chemval* Celestite SrSO4 x Cerussite PbCO3 mineral supcrt92** 82wag/eva x Chalcanthite CuSO4:5H20 mineral x Chalcedony SiO2 mineral supcrt92**
B-62
( ( ( ( ( (
SPECIES DATA EQ3/6 DATAFILES **************** *********************** ************************************************************* NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
Chalcocite Cu2S mineral supcrt92** x Chalcocyanite CuSO4 mineral 89cox/wag x Chalcopyrite CuFeS2 mineral supcrt92** x Chamosite-7A Fe2Al2SiO5(OH)4 mineral 78wol x mineral supcrt92** 0 Chamosite-7A Fe2Al2SiO5(OH)4 x Chlorargyrite AgCl mineral supcrt92** 0 Chlorargyrite AgCl mineral 89cox/wag Chlorite-ss (Fe,Mg)5Al2Si3OlO(OH)8 mineral ss*** x 0 Chloritoid FeAl2SiO5(OH)2 mineral supcrt92** 0 Chlorocalcite KCaCl3 mineral Chloromagnesite MgCl2 mineral 79rob/hem x mineral 82wag/eva x Chromite FeCr2O4 x Chrysocolla CuSiH405 mineral 87woo/gar Chrysotile Mg3Si205(OH)4 mineral supcrt92** x Cinnabar HgS mineral supcrt92** x mineral 89cox/wag 0 Cl(g) x Cl2(g) mineral 89cox/wag Claudetite As2O3 mineral 79rob/hem x Clausthalite PbSe mineral 82wag/eva x mineral 74nau/ryz x Clinochalcomenite CuSeO3:2H20 x Clinochlore-14A Mg5Al2Si3OlO(OH)8 mineral supcrt92** Clinochlore-7A Mg5Al2Si3OlO(OH)8 mineral supcrt92** x Clinoptilolite Na.954K.543Ca.76lMg.124Sr.03 mineral 89db 6 x 0 Clinoptilolite-Ba Bal.7335Al3.45Fe.017Sil4.533 mineral 89db2 Clinoptilolite-Ca Cal.7335A13.45Fe.017Sil4.533 mineral 89db 7 x Clinoptilolite-Cs Cs3.467A13.45Fe.017Sil4.5330 mineral 89db 7 x Clinoptilolite-K K3.467Al3.45Fe.017Sil4.53303 mineral 89db 7 x 0 Clinoptilolite-Mg Mgl.7335Al3.45Fe.017Sil4.533 mineral 89db2 0 Clinoptilolite-Mn Mnl.7335Al3.45Fe.017Sil4.533 mineral 89db2 Clinoptilolite-NH4 (NH4)3.467Al3.45Fe.017Sil4.5 mineral 89db 7 x Na3.467Al3.45Fe.017Sil4.5330 mineral 89db 7 x Clinoptilolite-Na x Clinoptilolite-Sr Srl.7335Al3.45Fe.017Sil4.533 mineral 89db 7 Clinoptilolite-dehy Sr.036Mg.l24Ca.76lMn.002Ba.0 mineral 89db 6 x Cal.7335Al3.45Fe.017Sil4.533 mineral 89db 7 x Clinoptilolite-dehy-Ca x Clinoptilolite-dehy-Cs Cs3.467Al3.45Fe.017Sil4.5330 mineral 89db 7
B-63 SPECIES DATA EQ3/6 DATAFILES *********************** ****** COMPOSITION**************** HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA
Clinoptilolite-dehy-K K3.467A13.45Fe.017Si14.53303 mineral 89db 7 x Clinoptilolite-dehy-NH4 (NH4)3.467A13.45Fe.017Sil4.5 mineral 89db 7 x Na3.467A13.45Fe.017Sil4.5330 mineral 89db 7 x Clinoptilolite-dehy-Na x Clinoptilolite-dehy-Sr Srl.7335A13.45Fe.017Sil4.533 mineral 89db. 7 Clinoptilolite-hy-Ca Cal.7335A13.45Fe.017Sil4.533 mineral viani x Clinoptilolite-hy-Cs Cs3.467Al3.45Fe.017Sil4.5330 mineral viani x mineral viani x Clinoptilolite-hy-K K3.467Al3.45Fe.017Si14.53303 x Clinoptilolite-hy-Na Na3.467A13.45Fe.017Sil4.5330 mineral viani Srl.7335A13.45Fe.017Si14.533 mineral viani x Clinoptilolite-hy-Sr x Clinoptilolite-hy-ss (Na,K,Cs,NH4,Ca.5,Sr.5)3.467 mineral ss*** mineral ss*** x Clinoptilolite-ss (Na,K,Cs,NH4,Ca.5,Sr.5)3.467 x Clinozoisite Ca2Al3Si3Ol2(OH) mineral supcrt92** mineral 79rob/hem x Co x Co(N03)2 mineral 6Sgar/chr mineral 73don 0 Co(OH)2 x Co(OH)2 mineral 76bae/mes mineral 82wag/eva x Co2SiO4 x Co3(AsO4)2 mineral 82wag/eva mineral 82wag/eva x Co3(P04)2 0 CoBr2 mineral 82wag/eva mineral 82wag/eva x CoC12 x CoC12:2H20 mineral 82wag/eva mineral 82wag/eva x CoCl2:6H20 x CoF2 mineral 82wag/eva mineral 79kub/alc x CoF3 x CoFe2O4 mineral 74nau/ryz mineral 82wag/eva x CoHP04 x CoO mineral 82wag/eva mineral 74nau/ryz x CoS x CoSO4 mineral 82wag/eva mineral 82wag/eva x CoSO4.3Co(OH)2 x CoSO4:6H20 mineral 82wag/eva mineral 74nau/ryz x CoSO4:H20 x CoSeO3 mineral 76smi/mar mineral 74nau/ryz x CoWO4 x Coesite SiO2 mineral supcrt92**
B-64 ( ( ( ( (
SPECIES DATA EQ3/6 DATAFILES *********************** **** COMPOSITION**************** TYPE LIT.SOURCE COM ALT SUP PIT NEA H1MW NAME COMPOSITION TYPE mineral 0 chemval* 0 0 0 0 0 0 Coffinite USiO4 0 mineral 1 82hem 0 0 0 0 Coffinite USiO4 x mineral 1 92gre/fug 0 0 x 0 Coffinite USiO4 0 0 mineral 3 chemval*. 0 0 0 0 Cof finite USiO4 x 'C mineral 1 77bas 0 0 0 Colemanite Ca2B6011:5H20 x 'C mineral 1 supcrt92** 0 0 0 0 Cordierite anhyd Mg2Al4Si5Ol8 x mineral 1 supcrt92** 0 0 0 Cordierite hydr Mg2Al4Si5Ol8:H20 x mineral 1 78ric/nri 0 0 Corkite PbFe3(PO4)(SO4)(OH)6 'C mineral 1 supcrt92** 0 0 0 Corundum A1203 0 0 0x mineral 2 89cox/wag 0 0 Corundum Al203 'C 'C x mineral 1 82wag/eva 0 0 0 Cotunnite PbCl2 'C 'C 0x mineral 1 supcrt92** 0 ' 0 0 Covellite CuS 'C 'C x mineral 1 79rob/hem 0 0 0 Cr 'C 'C X mineral 2 82wag/eva 0 0 0 CrCl3 'C 'C x mineral 2 76del/hal 0 0 0 CrF3 'C 'C X mineral 2 76del/hal 0 0 0 CrF4 2 'C 'C 0 mineral 76del/hal 00 0 0 CrI3 2 'C 'C X mineral 76del/hal 00 0 0 CrO2 2 'C 'C X mineral 76del/hal X 00 0 CrO3 1 'C 'C. X mineral 76del/hal X 0 0 CrS 1 'C 'C 0 X mineral supcrt92** 0 xC 0 0 Cristobalite SiO2 'C 'C 0 X mineral 1 supcrt92** xC 0 0 Cristobalite-a SiO2 'C 0 X mineral 1 supcrt92** 'C 0 0 Cristobalite-b SiO2 1 'C 0 X PbCrO4 mineral 76del/hal xC 0 0 Crocoite 'C 0 x mineral 1 78wol xC 0 0 Cronstedtite-7A Fe2Fe2SiO5(OH)4 0 0 x mineral 1 supcrt92** 0 'C 0 0 Cronstedtite-7A Fe2Fe2SiO5(OH)4 'C 'C o mineral 2 89cox/wag 0 0 0 Cs 'C mineral 2 89cox/wag 0 x 0 cs(g) 'C mineral 2 92gre/fug 0 0 0 Cs2U207 2 'C mineral 92gre/fug x 0 Cs2U4012 1 0 0 mineral 82hem 0 x 0 Cs2UO4 'C 0 mineral 2 92gre/fug 0 Cs2UO4 'C mineral 1 supcrt92** 0 0 Cu 0 0 mineral 2 89cox/wag Cu B-65
=L- I SPECIES DATA EQ3/6 DATAFILES *********************** ********************** **************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
Cu (g) mineral 89cox/wag Cu3(P04)2 mineral 82wag/eva Cu3(P04)2:3H20 mineral 8Obal/nor CuCl2 mineral 82wag/eva CuCr2O4 mineral 76del/hal CuF mineral 73don CuF mineral 80bal/nor CuF2 mineral 9Ocrc CuF2 mineral 80bal/nor CuF2:2H20 mineral 9Ocrc CuF2:2H20 mineral 8Obal/nor CuSeO3 mineral 82wag/eva Cummingtonite Mg7Si8O22(OH)2 mineral supcrt92** Cuprite Cu2O mineral supcrt92** Daphnite-14A Fe5AlAlSi3OlO(OH)8 mineral 78wol Daphnite-14A Fe5AlAlSi3OlO(OH)8 mineral supcrt92** Daphnite-7A Fe5AlAlSi3OlO(OH)8 mineral 78wol Daphnite-7A Fe5AlAlSi3OlO(OH)8 mineral supcrt92** Dawsonite NaAlCO3(OH)2 mineral 79rob/hem Delafossite CuFeO2 mineral 74nau/ryz Diaspore AlHO2 mineral supcrt92** Dicalcium silicate Ca2SiO4 mineral 82wag/eva Dickite A12Si2O5(OH)4 mineral supcrt92** Diopside CaMgSi2O6 mineral supcrt92** Dioptase CuSiO2(OH)2 mineral 87woo/gar Dolomite CaMg(C03)2 mineral chemval* Dolomite CaMg(C03)2 mineral supcrt92** Dolomite CaMg(C03)2 mineral chemval* Dolomite CaMg(CO3)2 mineral 84har/mol Dolomite-dis CaMg(C03)2 mineral supcrt92** Dolomite-ord CaMg(C03)2 mineral supcrt92** Downeyite SeO2 mineral 92gre/fug Downeyite SeO2 mineral 74mil Dy mineral 79rob/hem
B-66 ( ( ( ( SPECIES DATA EQ3/6 DATAFILES *********************************************** **************** *********************** PIT NEA HMW NAME COMPOSTLTION TYPE TYPE LIT.SOURCE COM ALT SUP ------…------mineral 1 supcrt92** 0 0 0 0 0 0 Edenite NaCa2Mg5Si7Al022(OH)2 0 mineral 1 supcrt92** x x x 0 0 Enstatite MgSiO3 0 mineral 1 supcit92** x x x 0 o Epidote Ca2FeAl2Si3Ol2OH x x 0 FeCa2Al2(OH)(SiO4)3 mineral 1 supcrt92** x 0 Epidote-ord x 0 0 0 Ca2(Fe,Al)Al2Si3Ol2(OH) mineral 1 ss***. x x Epidote-ss 0 0 mineral 1 84har/mol x x x x Epsomite MgSO4:7H20 0 0 0 mineral 4 84har/mol 0 x x Epsomite MgSO4:7H20 0 0 mineral 1 79rob/hem x x 0 Er x 0 mineral 1 74nau/ryz x x 0 x 0 Erythrite Co3(AsO4)2:8H20 0 0 mineral 1 82wag/eva x x x 0 Eskolaite Cr203 x x 0 0 Ca6Al2(S04)3(OH)12:26H20 mineral 2 82sar/bar x 0 Ettringite 0 0 mineral 1 85rar 2 x x x 0 Eu 0 0 mineral 11 85rar 2 x x x 0 Eu(I03)3:2H20 0 0 mineral 1 85rar 2 x x x 0 Eu(N03)3:6H20 0 0 mineral 1 85rar 2 x x x 0 Eu(OH)2.5C1.5 0 0 mineral 1 85rar 2 x x x 0 Eu(OH)2Cl 0 0 mineral 1 87rar 2 x x 0 Eu(OH)3 0 0 0 mineral 1 87rar 2 x x 0 Eu2(C03)3:3H20 0 0 mineral 1 85rar 2 x x 0 Eu2(S04)3:8H20 'A 0 0 mineral 1 85rar 2 x x 0 Eu203(cubic) x 0 0 mineral 1 85rar 2 x x 0 Eu203(monoclinic) x 0 0 mineral 1 85rar 2 x x 0 Eu304 x 0 0 mineral 1 85rar 2 x 0 EuBr3 x 0 0 mineral 2 87rar 2 x x 0 EuCl2 x 0 0 mineral 1 85rar 2 x x 0 EuC13 x 0 mineral 1 85rar 2 x 0 x 0 EuCl3:6H20 x 0 0 mineral 1 85rar 2 x x 0 EuF3:0.5H20 x 0 mineral 1 85rar 2 x 0 x 0 EuO x 0 0 mineral 1 87rar 2 x x 0 EuOC1 x 0 0 0 mineral 1 85rar 2 x 0 EuS x 0 0 mineral 1 85rar 2 x x 0 EuSO4 x 0 0 mineral 1 82wag/eva x 0 0 Eucryptite LiAlSiO4 0 0 0 mineral 2 89cox/wag 0 0 0 F(g) 0 mineral 2 89cox/wag x x 0 x 0 F2(g) 0 1 supcrt92** x x x 0 0 Fayalite Fe2SiO4 mineral B-67 SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
Fe mineral supcrt92** x x x x 0 0 Fe(OH) 2 mineral 82wag/eva x x 0 X 0 0 Fe(OH) 3 mineral chemval* 0 0 0 0 0 0 Fe(OH) 3 mineral 82wag/eva X X 0 0 0 0 Fe(OH) 3 mineral chemval* 0 0 0 0 0 0 Fe2(S04)3 mineral 79rob/hem x x 0 0 0 0 FeAsO4 mineral 64sil/mar X X 0 0 0 0 FeF2 mineral 82wag/eva x x 0 x 0 0 FeF3 mineral 79kub/alc X x 0 0 0 0 FeO mineral supcrt92** x x x x 0 0 FeSO4 mineral 82wag/eva x x 0 X 0 0 FeSe mineral 78vau/cra 0 0 0 0 0 0 FeV204 mineral 79kub/alc X X 0 0 0 0 Ferrite-Ca CaFe2O4 mineral 82sar/bar X X 0 0 0 0 Ferrite-Cu CuFe2O4 mineral 82wag/eva x x 0 0 0 0 Ferrite-Dicalcium Ca2Fe2O5 mineral 79rob/hem X X 0 0 0 0 Ferrite-Mg MgFe2O4 mineral 79rob/hem X X 0 0 0 0 Ferrite-Zn ZnFe2O4 mineral 82wag/eva X X 0 0 0 0 Ferroedenite NaCa2Fe5Si7Al022(OH)2 mineral supcrt92** 0 0 0 0 0 0 Ferrogedrite Fe5Al4Si6O22(OH)2 mineral supcrt92** 0 0 0 0 0 0 Ferropargasite NaCa2Fe4Al3Si6O22(OH)2 mineral supcrt92** 0 0 0 0 0 0 Ferroselite FeSe2 mineral 74mil X X 0 0 0 0 Ferrosilite FeSiO3 mineral supcrt92** x x x 0 0 0 Ferrotremolite Ca2Fe5Si8022(OH)2 mineral supcrt92** 0 0 0 0 o o Fluorapatite Ca5(P04)3F mineral 79rob/hem X x 0 x 0 0 Fluoredenite NaCa2Mg5Si7AlO22F2 mineral supcrt92** 0 0 0 0 0 0 Fluorite CaF2 mineral supcrt92** x x x x 0 0 Fluorphlogopite KAlMg3Si3OlOF2 mineral supcrt92** o0 0 0 Fluortremolite Ca2Mg5Si8022F2 mineral supcrt92** 0 0 0 0 0 0 Forsterite Mg2SiO4 mineral supcrt92** x x x 0 o 0 Foshagite Ca4Si309(OH)2:0.5H20 mineral 82sar/bar X X 0 0 0 0 Fr mineral 82wag/eva 0 0 0 0 0 0 Frankdicksonite BaF2 mineral 82wag/eva o0 0 0 Frankdicksonite BaF2 mineral 76smi/mar x x 0 X 0 0
B-68
( ( ( ( (
SPECIES DATA EQ3/6 DATAFILES *********************** ****** COMPOSITION**************** COM ALT SUP PIT NEA HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE mineral 1 78vau/cra x x 0 0 0 0 Freboldite CoSe 0 x 0 0 mineral 1 79rob/hem x x Ga 0 0 0 mineral 1 supcrt92** x x x Galena PbS 0 0 0 0 mineral 1 ss*** x x Garnet-ss Ca3(AlFe)2Si3Ol2 0 0 0 x mineral 1 84har/mol x x Gaylussite CaNa2(C03)2:5H20 0 0 0 0 0 x mineral 4 84har/mol Gaylussite CaNa2(C03)2:5H20 0 x 0 0 mineral 1 79rob/hem x x Gd 0 0 0 0 0 0 mineral 1 89cox/wag Ge 0 0 0 0 0 0 mineral 2 89cox/wag Ge(g) 0 0 0 0 0 0 mineral 2 89cox/wag GeF4(g) 0 0 0 mineral 2 89cox/wag 0 0 0 GeO2 1 x x x 0 0 0 Ca2Al2SiO7 mineral supcrt92** Gehlenite 1 x x x x 0 0 Al(OH) 3 mineral supcrt92** Gibbsite 1 x x 0 0 0 0 Ca2Al4Si4Ol6:9H20 mineral 89db 3 Gismondine 1 x x 0 x 0 x Na2Ca(S04)2 mineral 84har/mol Glauberite 4 0 0 0 x 0 x Na2Ca(S04)2 mineral 84har/mol Glauberite 1 0 0 0 0 0 0 Na2Al2Mg3Si8O22(OH)2 mineral supcrt92** Glaucophane 1 x x 0 0 0 0 FeOOH mineral 79rob/hem Goethite 1 x x 0 0 0 0 Fe3Si2O5(OH)4 mineral 78wol Greenalite 1 0 0 0 0 0 0 Fe3Si205(OH)4 mineral supcrt92** Greenalite 1 x x x 0 0 0 Ca3Al2(SiO4)3 mineral supcrt92** Grossular 1 0 0 0 0 0 0 Fe7Si8022(OH)2 mineral supcrt92** Grunerite 0 0 0 0 0 0 0 CaSO4:2H20 mineral chemval* Gypsum 1 x x 0 x 0 0 CaSO4:2H20 mineral 79rob/hem Gypsum 3 0 0 0 0 0 0 CaSO4:2H20 mineral chemval* Gypsum 4 0 0 0 0 0 x CaSO4:2H20 mineral 84har/mol Gypsum 1 x x 0 0 0 0 Ca2Si307(OH)2:1.5H20 mineral 82sar/bar Gyrolite 0 0 0 0 0 0 mineral 2 89cox/wag H(g) 0 x x 0 mineral 1 92gre/fug x x H-Autunite H2(U02)2(P04)2 x 0 0 mineral 1 supcrt92** x x x H2(g) 0 0 0 0 0 0 mineral 2 89cox/wag H2(g) 0 0 0 0 0 x mineral 4 84har/mol H2(g) x 0 0 mineral 1 supcrt92** x x x H20(g) 0 0 0 0 0 0 mineral 2 89cox/wag H20(g) 0 0 0 1 supcrt92** x x x H2S(g) mineral B-69 SPECIES DATA EQ3/6 DATAFILES *********************** ****** COMPOSITION**************** PIT NEA HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP
mineral 89cox/wag 0 0 H2S(g) 0 mineral 92gre/fug 0 H30UF6 0 mineral 89cox/wag X HBr(g) 0 mineral 89cox/wag X HC1(g) 0 mineral 79rob/hem 0 HF 0 mineral 89cox/wag X HF(g) 0 mineral 89cox/wag X HI(g) 0 mineral 83rar x HTcO4 0 mineral 82hem X Haiweeite Ca(U02)2(Si205)3:5H20 0 Halite NaCl mineral supcrt92** x x mineral 84har/mol 0 Halite NaCl 0 mineral supcrt92** 0 Halloysite Al2Si2o5(OH)4 t 0 mineral supcrt92** 0 Hastingsite NaAl2Ca2Fe5Si6O22(OH)2 0 mineral 82sar/bar X Hatrurite Ca3SiO5 0 mineral 79rob/hem X Hausmannite Mn3O4 0 mineral supcrt92** X He(g) 0 mineral 89cox/wag 0 He(g) 0 mineral 82wag/eva X Heazlewoodite Ni3S2 0 mineral supcrt92** X Hedenbergite CaFe(SiO3)2 0 mineral supcrt92** X Hematite Fe203 0 mineral 79rob/hem X Hercynite FeAl204 0 mineral supcrt92** X Herzenbergite SnS 0 mineral 85joh/flo X Heulandite Ba.065Sr.175Ca.585K.132Na.38 0 Heulandite Ba.065Sr.175Ca.585K.132Na.38 mineral supcrt92** 0 84har/mol X x Hexahydrite MgS04:6H20 mineral x mineral 84har/mol 0 Hexahydrite MgSO4:6H20 0 mineral 89cox/wag X Hg(g) 0 mineral supcrt92** X Hg(l) 0 mineral 89cox/wag 0 Hg(l) 0 mineral 89cox/wag X Hg2SO4 0 mineral 82wag/eva X Hg2SeO3 0 mineral 82wag/eva X HgSeO3 0 mineral 82sar/bar X Hillebrandite Ca2SiO3(OH)2:0.17H20 0 Hinsdalite Al3PPbSO8(OH)6 mineral 86jen 0
B-70
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SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
Hinsdalite A13PPbSO8(OH)6 mineral 80bal/nor Ho mineral 82wag/eva Hopeite Zn3(P04)2:4H20 mineral 90crc Hopeite Zn3(P04)2:4H20 mineral 76smi/mar Huntite CaMg3(C03)4 mineral supcrt92** Hydroboracite MgCaB6011:6H20 mineral 77bas Hydrocerussite Pb3(C03)2(OH)2 mineral 78ric/nri Hydromagnesite Mg5(C03)4(OH)2:4H20 mineral supcrt92** Hydrophilite CaC12 mineral 79rob/hem Hydroxylapatite Ca5(OH)(P04)3 mineral 79rob/hem I(g) mineral 89cox/wag I2 mineral 89cox/wag I2(g) mineral 89cox/wag Ice H20 mineral 87kee/rup Illite KO.6MgO.25A11.8A10.5Si3.5010 mineral 78wol Ilmenite FeTiO3 mineral 79rob/hem In mineral 79rob/hem Ir mineral 79rob/hem Jadeite NaAl(SiO3)2 mineral supcrt92** Jarosite KFe3(S04)2(OH)6 mineral 75kas/bor Jarosite-Na Fe3(S04)2(OH)6 mineral 75kas/bor K mineral 89cox/wag K(g) mineral 89cox/wag K-Feldspar KAlSi3O8 mineral supcrt92** K2C03:3/2H20 mineral 84har/mol K2C03:3/2H20 mineral 84har/mol K2CaC14 mineral K20 mineral supcrt92** K2Se mineral 74mil K2SiO3 mineral 77pau K2TcCl6 mineral 83rar K2U207 mineral 92gre/fug K2U04 mineral 92gre/fug K3H(S04)2 mineral 84har/mol
B-71 SPECIES DATA EQ3/6 DATAFILES *********************** ****** COMPOSITION**************** TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW NAME COMPOSITION TYPE mineral 4 84har/mol 0 0 x 0 x K3H(S04) 2 x x 0 mineral 1 84har/mol 0 x K8H4(C03)6:3H20 0 0 0 4 84har/mol 0 K8H4(C03)6:3H20 mineral x 0 1 79rob/hem x x 0 KA1(S04)2 mineral x 0 2 82wag/eva x x 0 KBr mineral x 0 mineral 2 82wag/eva x x 0 KMgCl3 x x x 0 mineral 2 82wag/eva 0 KMgCl3:2H20 x x 0 mineral 1 84har/mol 0 x KNaCO3:6H20 0 0 0 mineral 4 84har/mol 0 x KNaCO3:6H20 0 0 mineral 1 83rar x x 0 KTcO4 x x x 0 mineral 1 82wag/eva 0 KUO2AsO4 0 0 0 0 mineral 0 92gre/fug 0 KU03 x x x mineral 1 84har/mol 0 x Kainite KMgClSO4:3H20 0 0 x 4 84har/mol 0 x Kainite KMgClSO4:3H20 mineral x 0 mineral 1 84har/mol x 0 x Kalicinite KHCO3 0 0 0 mineral 4 84har/mol 0 x Kalicinite KHCO3 x x 0 0 mineral 1 supcrt92** 0 Kalsilite KAlSiO4 x 0 0 1 supcrt92** x 0 Kaolinite A12Si2O5(OH)4 mineral x 0 0 mineral 1 82wag/eva x 0 Karelianite V203 x x 0 0 0 mineral 1 82hem 0 Kasolite Pb(U02)SiO4:H20 x x x 0 mineral 1 82sar/bar 0 Katoite Ca3A12H12012 x x x mineral 1 84har/mol 0 x Kieserite MgSO4:H20 x 4 84har/mol 0 0 0 x MgSO4:H20 mineral 0 0 Kieserite 2 74mil x x 0 Klockmannite CuSe mineral x 0 0 mineral 1 supcrt92** x 0 Kr(g) 0 0 0 0 mineral 2 89cox/wag 0 Kr(g) x x 0 0 mineral 2 78vau/cra 0 Krutaite CuSe2 1 x x 0 0 mineral supcrt92** 0 Kyanite Al2SiO5 x x x 0 mineral 1 79rob/hem 0 La x x x 0 mineral 1 82wag/eva 0 Lammerite Cu3(AsO4)2 x x x 0 mineral 1 82wag/eva 0 Lanarkite Pb2(S04)0 x 0 0 mineral 1 82wag/eva x 0 Lansfordite MgCO3:5H20 0 0 0 0 mineral 1 supcrt92** 0 Larnite Ca2SiO4 x x 0 0 mineral 2 82sar/bar Larnite Ca2SiO4 B-72
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SPECIES DATA EQ3/6 DATAFILES *********************** *********************************************** **************** NEA HMW COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NAME ------…------mineral supcrt92** X 0 0 0 Laumontite CaAl2Si4Ol2:4H20 1 x x 1 85rar 1 0 0 0 0 Laurite RuS2 mineral x x x 1 79rob/hem 0 0 Lawrencite FeCl2 mineral x x x 0 mineral 1 supcrt92** 0 0 Lawsonite CaAl2Si2O7(OH)2:H20 0 0 0 0 1 supcrt92** 0 x Leonhardite Ca2Al4Si8O24:7H20 mineral x x 0 x mineral 1 84har/mol 0 x Leonite K2Mg(S04)2:4H20 0 0 0 x mineral 4 84har/mol 0 x Leonite K2Mg(S04)2:4H20 0 x 2 89cox/wag x x 0 0 Li mineral x 0 x mineral 2 89cox/wag x 0 0 Li(g) x x 0 0 mineral 2 74mil 0 0 Li2Se 0 0 0 0 mineral 3 8lwag 0 0 Li2SiO3 0 0 0 0 mineral 0 92gre/fug 0 0 Li2U207 0 0 0 0 0 92gre/fug 0 Li2U3010 mineral x x 0 x x mineral 2 92gre/fug 0 Li2UO4 0 0 0 0 0 mineral 0 92gre/fug 0 Li4UO5 x 0 x 0 mineral 1 82wag/eva x 0 LiUO2AsO4 0 0 0 0 0 mineral 0 92gre/fug 0 LiUO3 x x x x 0 mineral 1 supcrt92** 0 Lime CaO 0 0 0 0 0 mineral 2 89cox/wag 0 Lime CaO 0 x 0 1 78vau/cra x x 0 Linnaeite Co3S4 mineral 0 x 0 1 82wag/eva x x 0 Litharge PbO mineral 0 x 0 1 76del/hal x x 0 Lopezite K2Cr2O7 mineral x 0 x 0 mineral 1 79rob/hem x 0 Lu 0 0 0 0 0 mineral 3 74tru/jon .0 Magadiite NaSi7Ol3(OH)3:3H20 x x 0 x 0 mineral 2 82wag/eva .0 Magnesiochromite MgCr2O4 0 0 0 0 0 2 mineral 1 supcrt92** 0 Magnesiohastingsite NaAl2Ca2FeMg4Si6O2 (OH)2 0 0 0 0 0 .1 supcrt92** 0 Magnesioriebeckite Na2Fe2Mg3Si8O22(OH)2 mineral x x 0 0 mineral 1 supcrt92** x Magnesite MgCO3 0 0 0 0 x 4 84har/mol 0 Magnesite MgCO3 mineral 0 0 0 1 supcrt92** x x x Magnetite Fe3O4 mineral x x x 0 0 0 mineral 1 supcrt92** Malachite Cu2CO3(OH)2 0 0 0 1 65bri x x x Manganite MnHO2 mineral x x x 0 0 mineral 1 supcrt92** x Manganosite MnO 0 0 0 1 supcrt92** x x x Margarite CaAl4Si2OlO(OH)2 mineral B-73 SPECIES DATA EQ3/6 DATAFILES *********************************************** **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW …_ Massicot PbO mineral 82wag/eva Matlockite PbFCl mineral 67rob/bet Matlockite PbFCl mineral 8Obal/nor Maximum Microcline KAlSi3O8 mineral supcrt92** Mayenite Cal2A114033 mineral 82sar/bar Melanterite FeSO4:7H20 mineral 79rob/hem Mercallite KHS04 mineral 84har/mol Mercallite KHS04 mineral 84har/mol Merwinite MgCa3(SiO4)2 mineral supcrt92** Mesolite Na.676Ca.657A11.99Si3.01010: mineral 89db 6 Mesolite Na.676Ca.657A11.99Si3.01010: mineral 83joh/flo Metacinnabar HgS mineral supcrt92** Metasilicate-Na Na2SiO3:9H20 mineral 82wag/eva Mg mineral 89cox/wag Mg(g) mineral 89cox/wag Mgl.25S04(OH)0.5:0.5H20 mineral 82jan Mgl.5S04(OH) mineral 82jan Mg2V207 mineral 82wag/eva Mg3(AsO4)2 mineral 64sil/mar MgBr2 mineral 73bar/kna MgBr2:6H20 mineral 82wag/eva MgCl2:2H20 mineral 82wag/eva MgC12:4H20 mineral 82wag/eva MgCl2:H20 mineral 82wag/eva MgOHCl mineral 73bar/kna MgSO4 mineral 82wag/eva MgSeO3 mineral 77bar/kna MgSeO3:6H20 mineral 74nau/ryz MgU3010 mineral 92gre/fug MgUO4 mineral chemval* MgUO4 mineral 92gre/fug MgUO4 mineral chemval* MgV206 mineral 82wag/eva Millerite NiS mineral 82wag/eva
B-74 ( ( ( ( !
DATAFILES SPECIES DATA EQ3/6 *********************** *********************************************** **************** PIT NEA HMW COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP NAME ------…------1 82wag/eva 0 0 0 0 Minium Pb3O4 mineral x x mineral 1 78wol 0 0 0 0 Minnesotaite Fe3Si4OlO(OH)2 0 0 1 supcrt92** 0 0 0 Minnesotaite Fe3Si4010(OH)2 mineral x x mineral 1 79rob/hem x 0 0 x Mirabilite Na2SO4:10H20 0 0 84har/mol 0 0 0 x Mirabilite Na2S04:10H20 mineral 4 x x mineral 1 84har/mol x 0 0 x Misenite K8H6(S04)7 0 0 x mineral 4 84har/mol 0 0 x Misenite K8H6(S04)7 x mineral 1 79rob/hem x x 0 0 0 Mn x x mineral 1 82wag/eva x 0 0 0 Mn(OH)2(am) x 0 mineral 3 76plu/jon x 0 0 0 Mn(OH)3 0 0 0 mineral 0 73don 0 0 0 Mn3(AsO4)2 x x mineral 3 64sil/mar x 0 0 0 Mn3(AsO4)2 0 0 0 mineral 0 86jen 0 0 0 Mn3(P04)2 x x mineral 3 76plu/jon x 0 0 0 Mn3(P04)2 x mineral 1 82wag/eva x x 0 0 0 MnCl2:2H20 x x mineral 1 82wag/eva x 0 0 0 MnCl2:4H20 x mineral 1 82wag/eva x x 0 0 0 MnCl2:H20 x mineral 3 76plu/jon x x 0 0 0 MnHP04 x x mineral 1 65bri x 0 0 0 MnO2(gamma) x x 0 mineral 1 79rob/hem x 0 0 0 MnSO4 0 mineral 2 74mil x x 0 0 0 MnSe 0 mineral 3 76smi/mar x x 0 0 0 MnSeO3 x 0 0 mineral 1 74nau/ryz x 0 0 0 MnSeO3:2H20 x 0 mineral 1 76isr/mei x 0 0 0 MnV206 0 mineral 1 79rob/hem x x 0 0 0 Mo 0 mineral 2 74mil x x 0 0 0 MoSe2 x x 0 mineral 1 74nau/ryz 0 0 0 Modderite CoAs 0 0 0 82wag/eva 0 0 0 0 Molybdomenite PbSeO3 mineral 0 mineral 1 79rob/hem x x 0 0 0 Molysite FeCl3 0 1 79rob/hem x x 0 0 0 Monohydrocalcite CaCO3:H20 mineral 2 89cox/wag x x x 0 0 Monteponite CdO mineral x x 0 mineral 1 supcrt92** x 0 0 Monticellite CaMgSiO4 0 0 2 mineral 1 88db 3 x x 0 0 Montmor-Ca Ca.165Mg.33Al1.67Si4010(OH) x 0 0 2 mineral 1 88db 4 x Montmor-Cs Cs.33Mg.33A11.67Si4010(OH) B-75 SPECIES DATA EQ3/6 DATAFILES *********************************************** **************** *********************** NEA HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT
K.33Mg.33A11.67Si4010(OH)2 mineral 88db 3 x 0 0 Montmor-K 0 0 Mg.495A11.67Si4010(OH)2 mineral 88db 3 x Montmor-Mg 0 0 Na.33Mg.33A11.67Si4010(OH)2 mineral 88db 3 X Montmor-Na 0 0 HgO mineral 89cox/wag X Montroydite 0 0 Ca.2895Na.361A1.94Si5 .06Ol 2 : mineral 91joh/tas X Mordenite 0 0 Ca.2895Na.361Al.94Si5.060l2 mineral 91joh/tas X Mordenite-dehy x 0 NiSO4:7H2O mineral 82wag/eva x Morenosite 0 0 mineral supcrt92** X Muscovite KA13Si3OlO(OH)2 0 mineral 89cox/wag 0 0 N(g) 0 mineral supcrt92** x x N2(g) 0 mineral 89cox/wag 0 0 N2(g) tO mineral supcrt92** x x NH3(g) 0 0 mineral 89cox/wag 0 NH3(g) 0 0 mineral 82wag/eva X NH4HSe 0 mineral 89cox/wag X x Na 0 mineral 89cox/wag X x Na(g) 0 0 Na2CO3 mineral 82wag/eva x X 0 0 Na2CO3:7H20 mineral 82wag/eva 0 0 x Na2CO3:7H20 mineral 84har/mol X x 0 Na2Cr2O7 mineral 76del/hal X x 0 Na2CrO4 mineral 76del/hal l0 0 0 Na2Mg(S04)2 mineral supcrt92** X x 0 Na20 mineral X 0 0 Na2Se mineral 74mil X 0 0 Na2Se2 mineral 74mil X 0 0 Na2SiO3 mineral 73bar/kna mineral 92gre/fug X x 0 Na2U207 0 0 Na2UO4(alpha) mineral chemval* 0 X x 0 Na2UO4(alpha) mineral 92gre/fug 0 0 0 Na2UO4(alpha) mineral chemval* 0 0 0 Na2UO4(beta) mineral 92gre/fug X x x Na3H(S04)2 mineral 84har/mol 0 x x Na3H(S04)2 mineral 84har/mol 0 0 0 Na3UO4 mineral chemval*
B-76 ( (. ( Ce f
SPECIES DATA EQ3/6 DATAFILES *********************** *********************************************** **************** COM ALT SUP PIT NEA HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE
92gre/fug X x 0 0 X 0 Na3UO4 mineral chemval* O 0 0 0 0 0 Na3UO4 mineral 84har/mol X x 0 X 0 x Na4Ca(S04)3:2H20 mineral 84har/mol 0 0 0 X 0 x Na4Ca(S04)3:2H20 mineral mineral 73bar/kna X x 0 0 0 0 Na4SiO4 2° 92gre/fug X x 0 0 X 0 Na4UO2(C03)3 mineral 92gre/fug 0 0 0 0 0 0 Na4UO5 mineral mineral 73bar/kna X x 0 0 0 0 Na6Si207 23 92gre/fug 0 0 0 0 0 0 Na6U7024 mineral mineral 82wag/eva X x 0 X 0 0 NaBr 2 82wag/eva X x 0 X 0 0 NaBr:2H20 mineral 41 82wag/eva X x 0 0 0 0 NaFeO2 mineral 841em X x 0 0 0 0 NaNpO2CO3:3.5H20 mineral 2 83rar X x 0 0 0 t 0 NaTcO4 mineral 1 chemval* O 0 0 0 o 0 NaUO3 mineral mineral 92gre/fug X x 0 X x 0 NaUO3 42 mineral chemval* O 0 0 0 0 0 NaUO3 0 73bar/kna X x 0 0 0 0 Nahcolite NaHC03 mineral mineral 84har/mol 0 0 0 0 0 x Nahcolite NaHC03 2 82wag/eva X x 0 X 0 0 Nantokite CuCl mineral mineral 1 83joh/flo X x 0 0 0 0 Natrolite Na2A12Si3010:2H20 mineral supcrt92** 0 0 0 0 0 0 Natrolite Na2A12Si3010:2H20 41 82wag/eva X x 0 0 0 0 Natron Na2C03:10H20 mineral 84har/mol I 0 0 0 0 0 x Natron .Na2C03:10H20 mineral 77bar/kna X x 0 0 0 0 Natrosilite Na2Si205 mineral mineral 82wag/eva X x 0 0 0 0 Naumannite Ag2Se mineral 79rob/hem 0 0 0 0 0 0 Nb 79rob/hem X x 0 X 0 0 Nd mineral mineral supcrt92** X x X 0 0 0 Ne(g) mineral 89cox/wag 0 0 0 0 0 0 Ne(g) mineral supcrt92** X x X 0 0 0 Nepheline NaAlSiO4 mineral supcrt92** X x X 0 0 0 Nesquehonite MgC03:3H20 mineral 84har/mol 0 0 0 0 0 x Nesquehonite MgC03:3H20 mineral supcrt92** X x X X 0 0 Ni B-77
F SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
Ni(OH) 2 mineral 82wag/eva Ni2P207 mineral 82wag/eva Ni2SiO4 mineral 74nau/ryz Ni3 (P04) 2 mineral 82wag/eva NiCO3 mineral 82wag/eva NiC12 mineral 82wag/eva NiC12: 2H20 mineral 82wag/eva NiC12: 4H20 mineral 82wag/eva NiCr2O4 mineral 76del/hal NiF2 mineral 82wag/eva NiF2: 4H20 mineral 82wag/eva NiS04 mineral 82wag/eva NiSO4:6H20(alpha) mineral 82wag/eva Nickelbischofite NiC12: 6H20 mineral 82wag/eva Ningyoite CaUP208:2H20 mineral 781an Niter KNO3 mineral 79rob/hem Nitrobarite Ba(N03)2 mineral 82wag/eva Nontronite-Ca Ca.165Fe2Al.33Si3.67H2012 mineral 78wol Nontronite-Cs Cs.33Si4Fel.67Mg.33H2012 mineral 88db 4 Nontronite-H H.33Fe2Al.33Si3.67H2012 mineral 78wol Nontronite-K K.33Fe2A1.33Si3.67H2012 mineral 78wol Nontronite-Mg Mg.165Fe2Al.33Si3.67H2012 mineral 78wol Nontronite-Na Na.33Fe2Al.33Si3.67H2012 mineral 78wol Np mineral 84lem Np(HP04)2 mineral 84lem Np(HP04)2 mineral 841em Np(OH)4 mineral 84lem Np(OH)4 mineral 84lem Np2O5 mineral 84lem Np2O5 mineral 84lem NpO2 mineral 84lem NpO2 mineral 84lem NpO2(OH)2 mineral 84lem NpO2(OH)2 mineral 84lem
B-78
. ( ( ( SPECIES DATA EQ3/6 DATAFILES *********************************************** **************** *********************** NEA HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT …pO20H---- 0 0 0 0 NpO2OH(am) mineral 1 84lem 0 0 0 NpO2OH (am) mineral 3 84lem 0 0 0 0 0 0 0 O(g) mineral 2 89cox/wag 0 0 mineral 1 supcrt92** x x x x 0 0 02 0 0 mineral 2 89cox/wag 0 0 0 0 02 0 0 x mineral 4 84har/mol 0 0 0 02 x x 0 0 0 CaSi2O4(OH)2:H20 mineral 1 82sar/bar 0 Okenite 0 0 0 0 0 (Fe,Mg)2SiO4 mineral 1 ss*** 0 Olivine 0 0 0 mineral 1 82wag/eva x x 0 Orpiment As2S3 0 0 0 mineral 1 ss*** x x 0 Orthopyroxene (Fe,Mg)SiO3 0 0 0 mineral 1 79rob/hem 0 0 0 Os 0 0 0 mineral 1 84sve x x 0 Otavite CdCO3 0 0 0 mineral 2 79kub/alc x x 0 Ottemannite Sn2S3 0 x mineral 1 84har/mol x x x 0 Oxychloride-Mg Mg2Cl(OH)3:4H20 0 0 x mineral 4 84har/mol 0 x 0 Oxychloride-Mg Mg2Cl(OH)3:4H20 0 0 mineral 2 89cox/wag x x x 0 p 0 0 0 0 mineral 0 92gre/fug 0 0 P(am) 0 0 0 0 mineral 2 89cox/wag 0 0 P(g) 0 0 0 0 mineral 2 89cox/wag 0 0 P2(g) 0 0 0 0 mineral 2 89cox/wag 0 00 P4(g) 0 0 mineral 1 supcrt92** x x x 0 Paragonite NaAl3Si3OlO(OH)2 0 0 mineral 1 78ric/nri x x x 0 Paralaurionite PbClOH 0 0 mineral 1 supcrt92** x x x 0 Pargasite NaCa2Al3Mg4Si6O22(OH)2 0 0 mineral 1 78ric/nri x x x 0 Parsonsite Pb2UO2(P04)2:2H20 0 0 mineral 2 89cox/wag x x x 0 Pb 0 0 mineral 3 73nri x x x 0 Pb(H2P04)2 0 0 mineral 2 89cox/wag x x x 0 Pb(g) 0 0 0 mineral 1 82wag/eva x x 0 Pb2SiO4 0 0 mineral 1 72nri 2 x x x 0 Pb3(P04)2 0 0 mineral .1 78ric/nri x x x 0 Pb3S06 0 0 mineral 1 72nri 2 x x x 0 Pb4O(P04)2 0 0 mineral 1 78ric/nri x x x 0 Pb4So7 0 0 0 mineral 1 82wag/eva x x 0 PbCO3.PbO 0 0 0 mineral 1 82wag/eva 0 0 0 PbF2 0 0 mineral 3 76smi/mar x x x 0 PbF2 0 1 74nri x x 0 x PbHPO4 mineral
B-79 SPECIES DATA EQ3/6 DATAFILES *********************************************** **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW ------…------PbSO4.2NH3 mineral 82wag/eva PbSeO4 mineral 82wag/eva Pd mineral 79rob/hem Pd-Oxyannite KFe3AlSi3OlO(OH)O- mineral 78wol Pd-Oxyannite KFe3AlSi3OlO(OH)O- mineral supcrt92** Penroseite NiSe2 mineral 74mil Pentahydrite MgSO4:5H20 mineral 8Ohar/wea Periclase MgO mineral supcrt92** Periclase MgO mineral 89cox/wag Petalite LiAlSi4010 mineral 82wag/eva Phlogopite KAlMg3Si3OlO(OH)2 mineral supcrt92** Phosgenite Pb2(C03)C12 mineral 78ric/nri Picromerite K2Mg(S04)2:6H20 mineral 84har/mol Picromerite K2Mg(S04)2:6H20 mineral 84har/mol Pirssonite Na2Ca(C03)2:2H20 mineral 84har/mol Pirssonite Na2Ca(C03)2:2H20 mineral 84har/mol Plagioclase CaAl2Si2O8-NaAlSi3O8 mineral ss*** Plattnerite PbO2 mineral 82wag/eva Plumbogummite PbAl3(PO4)2(OH)5:H20 mineral 86jen Plumbogummite PbAl3(P04)2(OH)5:H20 mineral 8Obal/nor Polydymite Ni3S4 mineral 78vau/cra Polyhalite K2MgCa2(S04)4:2H20 mineral 84har/mol Polyhalite K2MgCa2(S04)4:2H20 mineral 84har/mol Portlandite Ca(OH)2 mineral 79rob/hem Portlandite Ca(OH)2 mineral 84har/mol Pr mineral 79rob/hem Prehnite Ca2Al2Si3OlO(OH)2 mineral supcrt92** Przhevalskite Pb(U02)2(P04)2 mineral 781an Pseudowollastonite CaSiO3 mineral 77bar/kna Pt mineral 79rob/hem Pu mineral 86mor Pu(HP04)2 mineral 80lem/tre Pu(HP04)2 mineral 80lem/tre Pu(OH)3 mineral 80lem/tre Pu(OH)3 mineral 80lem/tre
B-80
( ( (
SPECIES DATA EQ3/6 DATAFILES *********************** *********************************************** **************** TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW NAME COMPOSITION - - - - …------mineral 1 80lem/tre .x x 0 0 0 0 Pu(OH)4 0 0 0 mineral 3 8olem/tre 0 0 0 Pu(OH)4 0 0 0 mineral 1 80lem/tre x x 0 Pu2O3 0 0 0 0 0 mineral 3 80lem/tre 0 Pu2O3 0 0 0 0 0 mineral 1 66oet 0 Pu2O3(alpha) 0 0 0 mineral 1 80lem/tre x x 0 PuF3 0 0 0 0 0 mineral 3 80lem/tre 0 PuF3 0 0 0 mineral 1 80lem/tre x x 0 PuF4 0 0 0 0 0 mineral 3 80lem/tre 0 PuF4 0 0 0 mineral 1 80lem/tre x x 0 PuO2 0 0 0 0 0 mineral 3 80lem/tre 0 PuO2 0 0 0 mineral 1 80lem/tre x x 0 PuO2(OH)2 0 0 mineral 3 80lem/tre 0 0 0 0 PuO2(OH)2 0 0 0 mineral 1 80lem/tre x x 0 PuO2HPO4 0 0 0 0 mineral 3 80lem/tre 0 0 PuO2HP04 0 0 0 mineral 1 80lem/tre x x 0 PuO2OH(am) 0 0 0 0 0 mineral 3 80lem/tre 0 PuO2OH(am) 0 0 0 0 0 mineral 0 chemval* 0 Pyrite FeS2 0 0 mineral 1 supcrt92** x x x 0 Pyrite FeS2 0 0 0 0 0 mineral 3 chemval* 0 Pyrite FeS2 0 x 0 mineral 1 79rob/hem x x 0 Pyrolusite MnO2 0 x 0 mineral 1 73nri x x 0 Pyromorphite Pb5(P04)3Cl 0 x 0 mineral 1 72nri 2 x x 0 Pyromorphite-OH Pb5(OH)(P04)3 0 0 0 0 0 mineral 1 supcrt92** 0 Pyrope Mg3Al2(SiO4)3 0 0 0 mineral 1 supcrt92** x x x pyrophyllite A12Si4l0(OH)2 0 0 0 mineral 1 supcrt92** x x x Pyrrhotite FeS 0 0 0 mineral 1 supcrt92** x x x Quartz SiO2 0 0 0 0 0 0 mineral 2 89cox/wag Quartz SiO2 0 0 0 mineral 1 82wag/eva x x 0 Ra 0 0 0 0 mineral 1 82wag/eva x x Ra(N03)2 0 0 0 0 mineral 1 82wag/eva x x RaC12:2H20 0 0 0 0 mineral 1 82wag/eva x x RaSO4 0 0 0 0 mineral 2 77bar/kna x x Rankinite Ca3Si207 0 x 0 0 mineral 2 89cox/wag x x Rb B-81
,0 5- I 6w"' SPECIES DATA EQ3/6 DATAFILES
************************************************************* **************** *********************** NAME COMPOSITION TYPE TYPE LIT,$0URCE COM ALT SUP PIT NEA HMW
Rb(g) mineral 89cox/wag x x 0 o loto Rb2U207 mineral 92gre/fug o o 0 0 0 Rb2UO4 mineral 92gre/fug x x 0 x 0 RbUO3 mineral 92gre/fug o o 0 o o Re mineral 79rob/hem x x 0 o o Realgar AsS mineral 79rob/hem x x 0 o 0 Rh mineral 79rob/hem o o 0 o 0 Rhodochrosite MnCO3 mineral supcrt92** x x x o o Rhodonite MnSiO3 mineral 79rob/hem x x 0 o o Richterite Na2CaMg5Si8O22(OH)2 mineral supcrt92** o o 0 o 0 Riebeckite Na2Fe5Si8O22(OH)2 mineral supcrt92** o 0 0 o o Ripidolite-14A Mg3Fe2A12Si3olO(OH)8 mineral 78wol x x 0 o o Ripidolite-7A Mg3Fe2Al2Si3OlO(OH)8 mineral 78wol x x 0 o o Rn(g) mineral supcrt92** x x o o Romarchite SnO mineral supcrt92** o o 0 o o Romarchite SnO mineral 89cox/wag X x 0 o o Ru mineral 85rar 1 x x 0 o o RU(OH)3:H20(am) mineral 85rar 1 o 0 0 o o Ru(g) mineral 85rar 1 X X 0 o 0 RuBr3 mineral 85rar 1 x x 0 o o RuCl3 mineral 85rar 1 o 0 0 o o RuC13(g) mineral 85rar 1 X X 0 o o RuI3 mineral 85rar 1 x x 0 o 0 RuO2 mineral 85rar 1 X X 0 o 0 RuO2:2H20(am) mineral 85rar 1 o o 0 o 0 RuO3(g) mineral 85rar 1 X X 0 o 0 RuO4 mineral 85rar 1 o 0 0 o 0 RuO4(g) mineral 85rar 1 o X 0 o 0 RuO4(1) mineral 85rar 1 o 0 0 o 0 RuSe2 mineral 85rar 1 o o 0 o 0 RuTe2 mineral 85rar 1 x x 0 o 0 Rutherfordine U02C03 mineral 92gre/fug x x 0 x 0 Rutile TiO2 mineral supcrt92** o X 0 o 0 Rutile TiO 2 mineral 89cox/wag o 0
B-82 ( (. ( ( ( ( EQ3/6 DATAFILES SPECIES DATA **************** *********************** *********************************************** TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW NAME COMPOSITION ------~ - - c- x/- -a - x- - - - - mineral 2 89cox/wag 0 0 0 0 2 0 0 0 S mineral 89cox/wag 0 0 S(g) 1 x x x 0 mineral supcrt92** 0 0 S2(g) 2 0 0 0 0 mineral 89cox/wag 0 S2(g) 1 x x x x 0 0 mineral supcrt92** 0 S02 (g) 2 0 0 0 0 0 mineral 89cox/wag 0 S02(g) 1 x x 0 0 0 mineral 74nau/ryz Safflorite CoAs2 1 x x 0 x 0 0 4 )2 mineral 781an 0 Saleeite Mg(U02)2(P0 1 x x 0 0 0 mineral 82wag/eva 0 Sanbornite BaSi2O5 1 x x x 0 0 mineral supcrt92** 0 Sanidine high KAlSi3O8 1 x x 0 0 0 (K,Na)AlSi308 mineral ss*** 0 0 Sanidine-ss 2 1 x x 0 0 mineral 78wol 0 Saponite-Ca Ca.165Mg3A1.33Si3.67O10(OH) 1 x x 0 0 0 2 mineral 88db 4 0 Saponite-Cs Cs.33Si3.67Al.33Mg3OlO(OH) 1 x x 0 0 to 2 mineral 78wol 0 Saponite-H H.33Mg3Al.33Si3.67010(OH) 1 x x 0 0 0 2 mineral 78wol 0 Saponite-K K.33Mg3A1.33Si3.67010(OH) 1 x x 0 0 0 2 mineral 78wol 0 Saponite-Mg Mg3.165Al.33Si3.67010(OH) 1 x x 0 0 0 6 7O10(OH)2 mineral 78wol 0 Saponite-Na Na.33Mg3Al.33Si3. 1 x x 0 0 0 mineral ss*** 0 Saponite-tri (Ca.5,H,K,Mg.5,Na).33Mg3Al.3 1 x x 0 0 0 mineral 82wag/eva 0 Sb 1 0 0 0 0 mineral 92gre/fug .x 0 Sb 1 x x 0 0 mineral 82wag/eva 0 Sb(OH)3 3 x x 0 0 0 mineral 89spy/ree 0 Sb2O3 1 x x 0 0 0 mineral 82wag/eva 0 Sb204 1 x x 0 0 0 mineral 82wag/eva 0 Sb205 1 0 0 0 0 0 mineral 82wag/eva I 0 Sb2S3 1 x x 0 x 0 0 mineral 82wag/eva Sb406(cubic) 1 x x 0 x 0 mineral 82wag/eva 0 Sb406(orthorhombic) 1 x x 0 x 0 0 mineral 82wag/eva SbBr3 1 x x 0 x 0 mineral 82wag/eva 0 SbC13 1 x x 0 x 0 0 mineral 79rob/hem 0 Sc 1 x x x 0 0 mineral 82wag/eva Scacchite MnCl2 1 0 0 0 0 0 mineral 88oha/lew Schoepite U03:2H20 2 x x 0 x x 0 mineral 92gre/fug 0 Schoepite U03:2H20 0 0 0 0 0 0 mineral 92gre/fug 0 Schoepite-dehy(.393) U03:.393H20 2 x x 0 x 0 mineral 88oha/lew 0 Schoepite-dehy(.393) U03:.393H20 0 0 0 0 0 mineral 92gre/fug Schoepite-dehY(.648) U03:.648H20 B- 83 SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
Schoepite-dehy(.648) U03:.648H20 mineral 88oha/lew x x 0 x o 0 Schoepite-dehy(.85) U03:.85H20 mineral 88oha/lew x x 0 X o o Schoepite-dehy(.9) U03:.9H20 mineral 92gre/fug x x 0 X x 0 Schoepite-dehy(l.0) U03:H20 mineral 88oha/lew x x 0 X o o Scolecite CaAl2Si3OlO:3H20 mineral 83joh/flo x x 0 0 o o Se mineral 79rob/hem x x 0 0 o o Se mineral 92gre/fug 0 0 0 0 x 0 Se205 mineral 74mil x x 0 0 o 0 SeC14 mineral 74mil x x 0 0 o o SeO3 mineral 74mil x x 0 0 o o Sellaite MgF2 mineral 89cox/wag x x 0 X o o Sepiolite Mg4Si60l5(OH)2:6H20 mineral supcrt92** x x x 0 o 0 Shcherbinaite V205 mineral 82wag/eva x x 0 0 o o Si mineral 89cox/wag x x 0 0 o o Si(g) mineral 89cox/wag x x 0 0 o o SiF4(g) mineral 89cox/wag x x 0 0 o o SiO2(am) mineral chemval* o 0 0 o o SiO2(am) mineral supcrt92** x x x 0 o 0 SiO2(am) mineral chemval* o 0 0 o o Siderite FeCO3 mineral supcrt92** x x x 0 o o Sillimanite Al2SiO5 mineral supcrt92** x x x 0 o o Sinjarite CaCl2:2H20 mineral 82wag/eva o 0 0 o 0 Sklodowskite Mg(H30)2(U02)2(SiO4)2:4H20 mineral 82hem x x 0 0 o 0 Sm mineral 79rob/hem x x 0 0 o 0 Smd-Celad(Fe,Al)-Ca CaAlFeSi4OlO(OH)2 mineral viani o 0 0 o 0 Smd-Celad(Fe,Al)-Cs CsAlFeSi4OlO(OH)2 mineral viani o 0 0 o 0 Smd-Celad(Fe,Al)-K KAlFeSi4O10(OH)2 mineral viani o 0 0 o 0 Smd-Celad(Fe,Al)-Li LiAlFeSi4OlO(OH)2 mineral viani o 0 0 o o Smd-Celad(Fe,Al)-Mg MgAlFeSi4OlO(OH)2 mineral viani o 0 0 0 o 0 Smd-Celad(Fe,Al)-Na NaAlFeSi4OlO(OH)2 mineral viani o 0 0 o 0 Smd-Celad(Fe,Al)-Sr SrAlFeSi4OlO(OH)2 mineral viani o 0 0 o o Smd-Celad(Mg,Al)-Ca CaAlMgSi4OlO(OH)2 mineral viani o 0 0 o 0 Smd-Celad(Mg,Al)-Cs CsAlMgSi4OlO(OH)2 mineral viani o 0 0 0 0 0 Smd-Celad(Mg,Al)-K KAlMgSi4OlO(OH)2 mineral viani o 0 0 0 0 0
B-84 ( ( ( ( ( (
DATA EQ3/6 DATAFILES SPECIES **************** ************ *********************************************** LIT.SOURCE COM ALT SUP PIT NEA HMW COMPOSITION TYPE TYPE NAME - - 3-- - -an--i------0 0 mineral 3 viani 0 0 0 0 Smd-Celad(Mg,Al)-Li LiAlMgSi4OlO(OH)2 0 0 0 0 0 mineral 3 viani 0 Smd-Celad(Mg,Al)-Mg MgAlMgSi4olO(OH)2 0 0 0 0 mineral 3 viani 0 0 Smd-Celad(MgAl)-Na NaAlMgSi4OlO(OH)2 0 0 0 0 mineral 3 viani 0 0 Smd-Celad(Mg,Al)-Sr SrAlMgSi4O1O(OH)2 0 0 0 0 2 mineral 3 viani 0 0 Smd-Ferripyrophyllite Fe2Si4OlO(OH) 0 0 0 0 mineral 3 viani 0 0 Smd-Muscovite(Al)-Ca CaAl3Si3OlO(OH)2 0 0 0 0 mineral 3 viani 0 0 Smd-Muscovite(Al)-Cs CsAl3Si3Ol(OH)2 0 0 0 0 2 mineral 3 viani 0 0 Smd-Muscovite(Al)-H HAl3Si3OlO(OH) 0 0 0 0 0 2 mineral 3 viani 0 Smd-Muscovite(Al)-K KAl3Si3OlO(OH) 0 0 0 0 mineral 3 viani 0 0 Smd-Muscovite(Al)-Li LiAl3Si3O10(OH)2 0 0 0 0 2 mineral 3 viani 0 0 Smd-Muscovite(Al)-Mg MgAl3Si3OlO(OH) 0 0 0 0 2 mineral 3 viani 0 0 Smd-Muscovite(Al)-Na NaAl3Si3OlO(OH) 0 0 0 0 0 2 mineral 3 viani 0 Smd-Muscovite(Al)-Sr SrAl3Si3OlO(OH) 0 0 0 0 0 mineral 3 viani 0 Smd-Muscovite(Fe)-Ca CaFe2AlSi3OlO(OH)2 0 0 0 0 0 mineral 3 viani 0 Smd-Muscovite(Fe)-Cs CsFe2AlSi3OlO(OH)2 0 0 0 0 mineral 3 viani 0 0 Smd-Muscovite(Fe)-H HFe2AlSi3OlO(OH)2 0 0 0 0 0 mineral 3 viani 0 KFe2AlSi3OlO(OH)2 0 0 0 0 Smd-Muscovite(Fe)-K mineral 3 viani 0 0 Smd-Muscovite(Fe)-Li LiFe2AlSi3OlO(OH)2 0 00 0 0 mineral 3 viani 0 0 Smd-Muscovite(Fe)-Mg MgFe2AlSi3OlO(OH)2 0 0 0 0 mineral 3 viani 0 0 Smd-Muscovite(Fe)-Na NaFe2AlSi3OlO(OH)2 0 0 0 0 0 mineral 3 viani 0 Smd-Muscovite(Fe)-Sr SrFe2AlSi3OlO(OH)2 0 0 0 0 mineral viani 0 0 Smd-Pyrophyllite Al2Si4OlO(OH)2 0 0 0 0 0 3 3 Fe mineral 78wol Smectite-Reykjanes Mn.OlK.03Na.33Ca.66Fe++. x x 0 0 0 0 mineral 1 ss*** Smectite-di (Na,K,Ca.5,Mg.5).33(Al,Mg,Fe x x 0 0 0 0 2 Mg mineral 1 7 8wol Smectite-high-Fe-Mg Ca.025Na.lK.2Fe++.5Fe+++. x x 0 0 0 9 6 mineral 1 78wol Ca.02Na.15K.2Fe++.2 Fe+++.1 x x x 0 0 0 Smectite-low-Fe-Mg mineral 1 supcrt92** Smithsonite tnCO3 x x x 0 0 0 mineral 1 supcrt92** 0 0 0 Sn 0 0 0 mineral 2 89cox/wag 0 x x 0 0 0 Sn mineral 1 82wag/eva x x 0 0 0 Sn(OH)2 2 79kub/alc 0 4 mineral x 0 Sn(S0 )2 2 x 0 0 0 mineral 89cox/wag 0 2 x x 0 0 0 Sn(g) mineral 79kub/alc 0 0o 2 x x 0 0 0 Sn3S4 mineral 79kub/alc 1 x x 0 SnBr2 mineral 82wag/eva SnBr4 B-85 SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
SnCl2 mineral 79kub/alc x x 0 o 0 SnS04 mineral 79kub/alc x x 0 o 0 SnSe mineral 79kub/alc x x 0 o 0 SnSe2 mineral 79kub/alc x x 0 o o Soddyite (U02)2(SiO4):2H20 mineral 82hem x x 0 o o Spessartine A12Mn3(SiO4)3 mineral supcrt92** 0 0 0 o o Sphaerocobaltite CoCO3 mineral 84sve x x 0 o 0 Sphalerite ZnS mineral supcrt92** x x x o o Spinel Al2MgO4 mineral supcrt92** x x x x 0 Spinel-Co Co3O4 mineral 82wag/eva x x 0 x 0 Spodumene LiAlSi2O6 mineral 82wag/eva x x 0 o 0 Sr mineral 79rob/hem x x 0 x 0 Sr mineral 92gre/fug o 0 0 O x Sr(NO3)2 mineral 79rob/hem x x 0 x 0 Sr(N03)2 mineral 92gre/fug o o 0 O x Sr(N03)2:4H20 mineral 82wag/eva x x 0 x 0 Sr(OH)2 mineral 85cha/dav x x 0 x 0 Sr2SiO4 mineral 82wag/eva x x 0 o 0 Sr2U3011 mineral 92gre/fug o o 0 o 0 Sr2UO5 mineral 92gre/fug o o 0 o o Sr3(AsO4)2 mineral 82wag/eva x x 0 x 0 Sr3U06 mineral 92gre/fug o 0 0 o o SrBr2 mineral 82wag/eva x x 0 x 0 SrBr2:6H20 mineral 82wag/eva x x 0 x 0 SrBr2:H20 mineral 82wag/eva x x 0 x 0 SrCl2 mineral 82wag/eva x x 0 x 0 SrCl2 mineral 92gre/fug o o 0 O x SrCl2:2H20 mineral 82wag/eva x x 0 x 0 SrCl2:6H20 mineral 82wag/eva x x 0 x 0 SrCl2:H20 mineral 82wag/eva x x 0 x 0 SrCrO4 mineral 76del/hal x x 0 x 0 SrF2 mineral 82wag/eva o o 0 0 0 SrF2 mineral 76smi/mar x x 0 x 0 SrHPO4 mineral 82wag/eva x x 0 x 0
B-86
( ( ( ( ( !
EQ3/6 DATAFILES SPECIES DATA **************** *********************** *********************************************** ALT SUP PIT NEA HMW COMPOSITION TYPE TYPE LIT.SOURCE COM NAME - - - -x - - - - - 0-- - 0-- 0-- 85cha/dav x 0 x 0 0 SrI2 mineral 1 x mineral 1 82wag/eva 0 X 0 0 SrO 0 0 mineral 2 92gre/fug 0 0 x 0 SrO x x 0 mineral 1 82wag/eva 0 0 0 SrS 0 0 0 mineral 0 74mil 0 0 0 SrSe 0 0 0 mineral 3 76smi/mar 0 0 0 SrSeO3 0 0 0 mineral 0 90crc 0 0 0 SrSeO4 x x 0 mineral 3 76smi/mar 0 0 0 SrSeO4 x x 0 mineral 1 82wag/eva 0 0 0 SrSiO3 0 0 0 mineral 0 92gre/fug 0 0 SrU4013 x x x x mineral 2 92gre/fug 0 0 SrUO4(alpha) 0 0 0 0 mineral 0 92gre/fug 0 0 SrUO4(beta) x x 0 0 mineral 1 74nau/ryz 0 0 SrZrO3 x x 0 1 8Ohar/wea x 0 0 Starkeyite MgS04:4H20 mineral 0 0 0 0 mineral 1 supcrt92** 0 0 Staurolite Fe2Al9Si4O24H x x 0 0 3 89spy/ree 0 0 Stibnite Sb2S3 mineral x x 0 0 2 6 . mineral 1 90how/joh 0 0 Stilbite Cal.0l9Na.136K.006Al .18Si 0 0 0 0 2 8 mineral 1 supcrt92** 0 0 Stilbite Cal.019Na.136K.006Al .1 Si6. x x 0 0 1 78vau/cra 0 0 Stilleite ZnSe mineral x x 0 0 mineral 1 79rob/hem 0 0 Strengite FeP04:2H20 0 0 0 0 0 chemval* 0 Strontianite SrCO3 mineral x x x 0 0 1 supcrt92** 0 Strontianite SrCO3 mineral 0 0 0 0 0 mineral 3 chemval* 0 Strontianite SrCO3 x x x x 0 mineral 1 supcrt92** Sylvite KC1 0 0 0 0 0 x mineral 4 84har/mol Sylvite KCl x x 0 x 0 x mineral 1 84har/mol Syngenite K2Ca(S04)2:H20 0 0 0 x 0 x mineral 4 84har/mol Syngenite K2Ca(S04)2:H20 0 0 0 0 0 0 mineral 1 79rob/hem Ta x x 0 x 0 x mineral 1 84har/mol Tachyhydrite Mg2CaCl6:12H20 0 0 0 x 0 x mineral 4 84har/mol Tachyhydrite Mg2CaCl6:12H20 x x x 0 0 0 2 mineral 1 supcrt92** Talc Mg3Si4010(OH) x x 0 x 0 0 mineral 2 76del/hal Tarapacaite K2CrO4 x x 0 x 0 0 mineral 1 79rob/hem Tb x x 0 x 0 0 mineral 1 83rar Tc B-87 SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
Tc(OH) 2 mineral 83rar o a Tc(OH) 3 mineral 83rar 0 to Tc2O7 mineral 83rar, 0 0 Tc2O7 (g) mineral 83rar o 0 Tc2S7 mineral 83rar 0 0 Tc304 mineral 83rar 0 0 Tc4O7 mineral 83rar 0 0 TcF6 mineral 83rar 0 0 TcF6 (g) mineral 83rar 0 0 TcO2:2H20(am) mineral 83rar o 0 TcO3 mineral 83rar 0 0 TcO3Cl(g) mineral 83rar 0 0 TcOH mineral 83rar 0 0 TcS2 mineral 83rar 0 0 TcS3 mineral 83rar o 0 Te mineral 79rob/hem 0 0 Te mineral 92gre/fug o 0 Tenorite CuO mineral supcrt92** o o Tephroite Mn2SiO4 mineral 82wag/eva 0 0 Th mineral 89cox/wag 0 0 Th(N03)4:5H20 mineral 82wag/eva 0 0 Th(OH)4 mineral 74nau/ryz 0 0 Th(S04)2 mineral 82wag/eva 0 0 Th(g) mineral 89cox/wag 0 0 Th2S3 mineral 82wag/eva o 0 Th2Se3 mineral 74mil o a Th7S12 mineral 82wag/eva 0 0 ThBr4 mineral 82wag/eva 0 0 ThC14 mineral 80lan/her 0 0 ThF4 mineral 801an/her 0 0 ThF4:2.5H20 mineral 82wag/eva 0 0 ThI4 mineral 82wag/eva 0 0 ThS mineral 82wag/eva 0 0 ThS2 mineral 82wag/eva o 0
B-88
(: ( (
SPECIES DATA EQ3/6 DATAFILES *********************** *********************************************** **************** COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW NAME ------…------x-- 0-- 0--0 0 X 0 0 Thenardite Na2SO4 mineral 1 79rob/hem 0 0 0 0 0 Thenardite Na2S04 mineral 4 84har/mol 1 82wag/eva x x 0 0 0 Thermonatrite Na2CO3:H20 mineral 0 0 0 0 x Thermonatrite Na2C03:H20 mineral 4 84har/mol 0 x0 mineral 2 89cox/wag x x 0 0 0 Thorianite ThO2 0 mineral 2 89cox/wag x x 0 0 0 Ti 0 mineral 2 89cox/wag x x 0 0 0 Ti(g) 0 mineral 2 89cox/wag x x 0 0 0 TiCl4(g) 0 mineral 2 78vau/cra x x 0 0 0 Tiemannite HgSe 0 x x 0 Titanite CaTiSiO5 mineral 1 supcrt92** 0 x 0 mineral 1 79rob/hem x x 0 0 0 Tl 0 76del/hal 0 0 0 Tl2CrO4 mineral 0 0 x 0 mineral 1 79rob/hem x x 0 0 0 Tm 0 mineral 1 82sar/bar x x 0 0 0 Tobermorite-llA Ca5Si6HllO22.5 0 2 7 mineral 1 82sar/bar x x 0 0 0 Tobermorite-14A Ca5Si6H210 .5 0 82sar/bar x x 0 Tobermorite-9A Ca5Si6H6O20 mineral 1 0 0 1 83ker x I x 0 0 Todorokite Mn7Ol2:3H20 mineral 0 x mineral 1 781an x x 0 0 Torbernite Cu(UO2)2(P04)2 x 0 mineral 1 supcrt92** x x 0 0 Tremolite Ca2Mg5Si8022(OH)2 0 0 mineral 1 79rob/hem x x 0 0 Trevorite NiFe2O4 0 0 mineral 1 82wag/eva x x 0 0 Tridymite SiO2 0 0 mineral 1 79rob/hem xI x 0 Troilite FeS 0 0 0 0 x mineral 0 84har/mol 0 Trona Na3H(C03)2:2H20 0 0 0 0 x mineral 4 84har/mol 0 Trona Na3H(C03)2:2H2, 0 0 x mineral 1 84har/mol x x 0 Trona-K K2NaH(C03)2:2H20 0 0 0 0 x mineral 4 84har/mol 0 Trona-K K2NaH(CO3)2:2H20 0 x 0 mineral 3 80bal/nor x x 0 Tsumebite Pb2Cu(P04)(0H)3:3H20 0 0 0 2 mineral 1 781an x x 0 Tyuyamunite Ca(U02)2(V04) 0 x 0 mineral 2 89cox/wag x x U 0 0 x 0 mineral 1 92gre/fug x x U(C03)2 0 0 x 0 mineral 1 92gre/fug x x U(HP04)2:4H20 0 0 x 0 mineral 1 92gre/fug x x U(OH)2S04 0 0 0 0 0 0 mineral 3 80all/kip U(OH)3 0 0 0 0 3 80all/kip 0 0 U(OH)4 mineral
B-89 SPECIES DATA EQ3/6 DATAFILES *********************************************** **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW ------…------I - - - U(S03)2 mineral 92gre/fug x x 0 O x 0 O x U(S04) 2 mineral 92gre/fug x x 0 o o U(S04)2:4H20 mineral 92gre/fug x X 0 O x U(S04)2:8H20 mineral 92gre/fug x x mineral 89cox/wag x x 0 o 0 U(g) 0 O x U2C3 mineral 92gre/fug x x 0 O x U2CllO(g) mineral 92gre/fug x x 0 O x U2C18(g) mineral 92gre/fug x x 0 O x U2FlO(9) mineral 92gre/fug x x 0 O x U2F9 mineral 92gre/fug x x 0 O x U202C15 mineral 92gre/fug x x 0 x x U203F6 mineral 92gre/fug x x 0 O x U2S3 mineral 92gre/fug x x 0 0 o o U2S5 mineral 92gre/fug o x 0 O x U2Se3 mineral 92gre/fug x 0 O x U3As4 mineral 92gre/fug x x 92gre/fug 0 x x U305F8 mineral x x 92gre/fug 0 o 0 U307(alpha) mineral o o 89cox/wag 0 0 o 0 U308 mineral o chemval* 0 0 o 0 U308(alpha) mineral o 0 0 o 0 U308(alpha) mineral chemval* o 92gre/fug x 0 O x U3P4 mineral x 92gre/fug x x 0 O x U3S5 mineral x 0 o 0 U3Sb4 mineral 92gre/fug x 92gre/fug x 0 O x U3Se4 mineral x 92gre/fug x x 0 O x U3Se5 mineral x 0 O x U4F17 mineral 92gre/fug x o 0 0 o 0 U409 mineral chemval* chemval* o 0 0 o 0 U409 mineral 0 0 o 0 U4Sb3 mineral 92gre/fug o x 0 O x U5012C1 mineral 92gre/fug x 92gre/fug x x 0 O x UAs mineral 0 x x UAs2 mineral 92gre/fug x x 92gre/fug o o 0 0 0 UAsO5 mineral
B-90
( ( (, ( ( ( (
SPECIES DATA E03/6 DATAFILES ****** COMPOSITION**************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW 0 UAsS mineral 0 92gre/fug o 0 0 o 0 0 0 UAsSe mineral 0 92gre/fug o o o 0 0 0 UAsTe mineral 0 92gre/fug o a o 0 0 UBr(g) mineral 2 92gre/fug x x 0 x 0 mineral 2 92gre/fug x x 0 0 x 0 UBr2(g) 0 UBr2Cl mineral 2 92gre/fug x x 0 x 0 0 UBr2Cl2 mineral 2 92gre/fug x x 0 x 0 0 0 UBr2I2 mineral 0 92gre/fug o 0 o 0 0 UBr3 mineral 2 92gre/fug x x 0 o 0 0 UBr3 (g) mineral 2 92gre/fug x x 0 x 0 mineral 2 92gre/fug x x 0 0 x 0 UBr3Cl 0 0 UBr3I mineral 0 92gre/fug o 0 o o x x 0 0 0 UBr4 mineral 2 92gre/fug 0 x x x 0 0 UBr4 (g) mineral 2 92gre/fug x x 0 UBr5 mineral 2 92gre/fug x x 0 x 0 x x 0 0 UBr5(g) mineral 2 92gre/fug 0 x mineral 2 92gre/fug x x 0 0 x 0 UBrC12 0 mineral 2 92gre/fug x x 0 x 0 UBrC13 0 0 mineral 0 92gre/fug o 0 o a UBrI3 0 mineral 1 92gre/fug x x 0 x 0 UC 0 UC1.94(alpha) mineral 1 92gre/fug x x 0 x 0 0 0 mineral 2 92gre/fug x x 0 x 0 UCl(g) 0 mineral 2 92gre/fug x x 0 x 0 UC12(g) 0 UC12F2 mineral 2 92gre/fug x x 0 x 0 x 0 0 UC12I2 mineral 2 92gre/fug x 0x x x x 0 0 UC13 mineral 2 92gre/fug x mineral 2 92gre/fug x x 0 x 0 UC13(g) 0 UC13F mineral 2 92gre/fug x x x 0 x x 0 0 UC13I mineral 2 92gre/fug x mineral 2 92gre/fug x x 0 x 0 UC14 x x 0 UCl4(g) mineral 2 92gre/fug x 0 0 UC15 mineral 2 92gre/fug x x x 0 x x 0 0 UC15(g) mineral 2 92gre/fug x x 0 0 UC16 mineral 2 92gre/fug x x
B-91 SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION TYPE. TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
UCl6 (g) mineral 2 92gre/fug UClF3 mineral 2 92gre/fug UClI3 mineral 2 92gre/fug UF(g) mineral 2 92gre/fug UF2 (g) mineral 2 92gre/fug UF3 mineral 2 92gre/fug UF3 (g) mineral 2 92gre/fug UF4 mineral 2 92gre/fug UF4 mineral 3 80lem/tre UF4 (g) mineral 2 92gre/fug UF4:2.5H20 mineral 2 92gre/fug UF5 (alpha) mineral 2 92gre/fug UF5(beta) mineral 2 92gre/fug UF5 (g) mineral 2 92gre/fug UF6 mineral 2 92gre/fug UF6 (g) mineral 2 92gre/fug UH3(beta) mineral 2 92gre/fug UI (g) mineral 2 92gre/fug UI2(g) mineral 2 92gre/fug UI3 mineral 2 92gre/fug UI3(g) mineral 2 92gre/fug UI4 mineral 2 92gre/fug UI4 (g) mineral 2 92gre/fug UN mineral 2 92gre/fug UNI.466(beta) mineral 0 92gre/fug UN1.59(alpha) mineral 2 92gre/fug UNl.606(alpha) mineral 0 92gre/fug UN1.674(alpha) mineral 0 92gre/fug UN1.73(alpha) mineral 2 92gre/fug UO(g) mineral 2 92gre/fug U02(AsO3)2 mineral 2 92gre/fug U02(I03)2 mineral 1 92gre/fug U02(N03)2 mineral 2 92gre/fug U02(N03)2:2H20 mineral 1 92gre/fug
B-92
( ( ( ! (
SPECIES DATA EQ3/6 DATAFILES ************************************************************* **************** *********************** NAME COMPOSITION TYPE TYPE LIT.SOURCE COM ALT SUP PIT NEA HMW
U02(N03)2:3H20 mineral 2 92gre/fug x x 0 X U02(N03)2:6H20 mineral 2 92gre/fug x x 0 X U02(N03)2:H20 mineral 2 92gre/fug x x 0 X U02(OH)2 mineral 0 chemval* o 0 0 0 U02(OH)2 mineral 3 chemval* o 0 0 0 U02(OH)2(beta) mineral 2 92gre/fug x x 0 X U02(OH)2(beta) mineral 3 80lem/tre o 0 0 0 U02(OH)2(gamma) mineral 0 92gre/fug o o 0 0 U02(OH)2(gamma) mineral 3 80lem/tre o 0 0 0 U02(P03)2 mineral 2 92gre/fug x x 0 X U02(am) mineral 1 781an o 0 0 0 U02(am) mineral 1 92gre/fug x x 0 0 U02(g) mineral 2 92gre/fug x x 0 X U02.25 mineral 2 92gre/fug x x 0 0 U02.25(beta) mineral 2 92gre/fug x x 0 0 U02.3333(alpha) mineral 0 92gre/fug o 0 0 0 U02.3333(beta) mineral 2 92gre/fug x x 0 0 U02.6667 mineral 2 92gre/fug x x 0 0 U02.86:.5H20 mineral 0 92gre/fug o o 0 0 U02.86:1.5H20 mineral 0 92gre/fug o o 0 0 UO2Br2 mineral 2 92gre/fug x x 0 X UO2Br2:3H20 mineral 2 92gre/fug x x 0 X UO2Br2:H20 mineral 2 92gre/fug x x 0 X UO2BrOH:2H20 mineral 2 92gre/fug x x 0 X U02C03 mineral 0 chemval* o o 0 0 U02C03 mineral 1 92gre/fug x x 0 0 U02C03 mineral 3 chemval* o a 0 0 U02C1 mineral 2 92gre/fug x x 0 0 U02C12 mineral 2 92gre/fug x x 0 X U02C12(g) mineral 2 92gre/fug x x 0 X U02C12:3H20 mineral 2 92gre/fug x x 0 X UO2Cl2:H20 mineral 2 92gre/fug x x 0 X UO2ClOH:2H20 mineral 2 92gre/fug x x 0 X U02F2 mineral 2 92gre/fug x x 0 X
B-93 EQ3/6 DATAFILES SPECIES DATA **************** *********************** *********************************************** COM ALT SUP PIT NEA HMW COMPOSITION TYPE TYPE LIT.SOURCE NAME ---- -~------0-- - 0-- 2 92gre/fug x x 0 x x 0 U02F2(g) mineral 2 92gre/fug x x 0 x x 0 U02F2:3H20 mineral 92gre/fug x x 0 x x 0 U02FOH mineral 1 1 92gre/fug x x 0 x x 0 UO2FOH:2H20 mineral 92gre/fug X 0 x x 0 U02FOH:H20 mineral 1 0 0 0 3 84tri 0 0 0 U02HP04 mineral x 1 92gre/fug x 0 x x 0 UO2HPO4:4H20 mineral 0 3 80all/kip 0 0 0 0 0 U020H mineral x 0 2 92gre/fug x 0 x 0 U02S03 mineral 0 0 mineral 0 chemval* 0 0 0 0 U02S04 x 2 92gre/fug x 0 x x 0 U02S04 mineral 0 mineral 3 chemval* 0 0 0 0 0 U02S04 x mineral 1 92gre/fug x 0 x x 0 U02S04:2.5H20 x 92gre/fug x 0 x x 0 U02S04:3.5H20 mineral 1 x 1 92gre/fug x 0 x x 0 U02S04:3H20 mineral x mineral 1 64owe/may x 0 x 0 0 UO2S04:H20 0 mineral 0 92gre/fug 0 0 0 0 0 UO2SeO3 0 0 mineral 92gre/fug 0 0 0 0 0 UO2SeO4 0 0 mineral 92gre/fug 0 00 0 0 0 UO2TeO3 0 0 0 mineral chemval* 0 0 0 0 U03(alpha) 2 x x mineral 92gre/fug 0 x x 0 U03(alpha) 3 0 0 mineral chemval* 0 0 0 0 U03(alpha) 0 0 0 mineral 92gre/fug 0 0 0 0 U03(am) 2 x x mineral 92gre/fug 0 x x 0 U03(beta) 0 0 0 mineral 92gre/fug 0 0 0 0 U03(delta) 0 0 0 mineral 92gre/fug 0 0 0 0 U03(epsilon) 2 x x mineral 92gre/fug 0 x x 0 U03(g) 0 0 0 mineral chemval* 0 0 0 0 U03 (gamma) 2 x x mineral 89cox/wag 0 x 0 0 U03(gamma) 3 0 0 mineral chemval* 0 0 0 0 U03(gamma) 0 0 0 mineral 92gre/fug 0 0 0 0 U03:.393H20 0 0 0 mineral 92gre/fug 0 0 0 0 U03:.648H20 0 0 0 mineral 92gre/fug 0 0 0 0 U03:.85H20(alpha) 2 x x mineral 92gre/fug x x U03:.9H20(alpha) B-94
( ( ( ( (
DATAFILES SPECIEG DATA EQ3/6 **************** *********************** *********************************************** LIT.SOURCE COM ALT SUP PIT NEA HMW NAME COMPOSITION , TYPE TYPE mineral 0 chemial* 0 0 0 0 0 0 U03:2H20 x 0 x x , mineral 2 92gre/fug x U03:2H20 0 0 0 mineral 3 chemval* 0 X 0 U03:2H20 0 0 0 mineral 0 92gre/fug U04:2H20 0 0 0 mineral 0 92gre/fug U04:4H20 0 0 X 0 2 92gre/fug x x UOBr2 mineral x 0 0 x 0 mineral 2 92gre/fug x UOBr3 0 0 X 0 2 92gre/fug x x UOC1 mineral x 0 0 X 0 mineral 2 92gre/fug x UOC12 x 0 0 x 0 mineral 2 92gre/fug x UOC13 0 X mineral '2 92gre/fug x x UOF2 x 0 x mineral 2 92gre/fug x UOF2:H20 x x 0 0 X 0 mineral 2 92gre/fug UOF4 x 0 X mineral 2 92gre/fug x UOF4 (g) 0 0 X 0 2 92gre/fug x x UOFOH mineral x 0 mineral 2 92gre/fug x 0 X 0 UOFOH:.5H20 0 0 0 x mineral 0 92gre/fug UOTe x 0 x X 0 mineral 2 92gre/fug x UP x 0 0 X 0 mineral 2 92gre/fug x UP2 x 0 0O0 X 0 mineral 2 92gre/fug x UP207 x 0 O0 mineral 1 92gre/fug x UP207:20H20 x 0 X0 mineral 2 92gre/fug x UP05 x x 0 X mineral 2 92gre/fug 0 X 0 US 0 O0 mineral 2 92gre/fug x x 0 X0 0 USl.9 x 0 X mineral 2 92gre/fug x 0 Xx 0 US2 x 0 0 mineral 2 92gre/fug x US3 0 mineral 2 92gre/fug x x USb x 0 mineral 2 92gre/fug x USb2 x 0 mineral 2 92gre/fug x 0 0 0 USe x x 0 mineral 2 92gre/fug 0 0 0 USe2(alpha) x 0 mineral 2 92gre/fug x USe2(beta) x 0 mineral 2 92gre/fug x USe3 x x 0 mineral 2 74mil Umangite Cu3Se2 0 0 0 mineral 1 781an Uramphite (NH4)(U02)(P04):3H20 B-95 SPECIES DATA EQ3/6 DATAFILES ***********,************ ******************** **************** HMW NAME COMPOSITION TYPE TYPE LIT. SOURCE COM ALT SUP PIT NEA 0 Uraninite U02 mineral chemval* X Uraninite U02 mineral 89cox/wag 0 U ran in ite U02 mineral chemval* mineral 781an X Uranocircite Ba(U02)2(P04)2 x Uranophane Ca(U02)2(SiO3)2(OH)2 mineral 781an mineral 79rob/hem X V X V204 mineral 82wag/eva mineral 82wag/eva X V305 x V407 mineral 82wag/eva X NiS2 mineral 78vau/cra Vaesite 0 CaCO3 mineral 79rob/hem Vaterite 0 NaF mineral 79rob/hem Villiaumite X Fe3(P04)2:8H20 mineral 87woo/gar Vivianite X W mineral 79rob/hem CaAl2Si4OlO(OH)4 mineral supcrt92** x Wairakite X K2(U02)2Si6015:4H20 mineral 82hem Weeksite X Ca3(P04)2 mineral 79rob/hem Whitlockite X Ni3Se4 mineral 78vau/cra Wilkmanite X BaCO3 mineral supcrt92** Witherite X Wollastonite CaSiO3 mineral supcrt92** X Wurtzite ZnS mineral supcrt92** Fe.9470 mineral 82wag/eva x Wustite X Xe(g) mineral supcrt92** mineral 89cox/wag 0 Xe(g) X Xonotlite Ca6Si6Ol7(OH)2 mineral 82sar/bar 79rob/hem X Y mineral mineral 79rob/hem x Yb 0 ZnO mineral supcrt92** Zincite X ZnO mineral 89cox/wag Zincite X Zircon ZrSiO4 mineral 79rob/hem mineral 89cox/wag X Zn X Zn(g) mineral 89cox/wag mineral 82wag/eva X Zn3(AsO4)2 X ZnCr2O4 mineral 76del/hal
B-96
( ( ( (7 (
SPECIES DATA EQ3/6 DATAFILES
COM ALT SUP PIT NEA HMW NAME COMPOSITION TYPE TYPE LIT.SOURCE ------_------0 0 0 ZnF2 mineral 1 82wag/eva X X X 0 0 0 0 ZnSeO3:H20 mineral 1 82wag/eva X X 0 0 0 Zoisite Ca2Al3(SiO4)30H mineral 1 supcrt92** X X X 0 0 0 0 Zr mineral 1 79rob/hem X X 0 0 0 0 o-Phthalic acid C8H604 mineral 2 7Okar/kar X X
FOOTNOTES:
case in that the properties stored (logK data * Species contained in the chemval database are a special of these reactions) are for electron-bearing dissociation reactions and standard molal enthalpies zero data type for the unique for GEMBOCHS (and EQ3/6). Hence, the misleading appearance of a file. reaction enthalpy data. Chemval species are only output to a separate dedicated
(1992) (92joh/oel]. ** The reference for supcrt92 is Johnson, Oelkers, and Helgeson are computed using various site * The standard molal thermodynamic properties of these solid solutions mixing models together with data for their end-member components.
B-97 Table B2: GEMBOCHS references
SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES - - - 2 70abb Abbasov, A.S. Evaluation of the Teddington, Natl. 1 p thermodynamic properties of Phys. Lab., DSC Rep. some III-V compounds 8 76abr/ber Abrahams, S.C., Transition metal iodates. VII. J. Solid State Chem. 16 173-184 Bernstein, J.L., and crystallographic and nonlinear Nassau, K. optic survey of the 4f-iodates 63ada/kel Adami, L., and Heats of formations of two U.S. Bur. Mines Rep. 7 Kelley, K. crystalline hydrates of Inv. 6260 ferrous sulfate 67ahr Ahrland, S. Enthalpy and entropy changes Helv. Chim. Acta 50 306-318 by formation of different types of complexes 7lahr/kull Ahrland, S., and Thermodynamics of metal Acta Chem. Scand. 25 3457-3470 Kullberg, L. complex formation in aqueous solution. I. A potentiometric study of fluoride complexes of hydrogen, uranium(VI), and vanadium(IV) 7lahr/kul2 Ahrland, S., and Thermodynamics of metal Acta Chem. Scand. 25 3471-3483 Kullberg, L. complex formation in aqueous solution. II. A calorimetric study of flouride complexes of hydrogen, uranium(VI), and vanadium(-IV) 80all/kip Allard, B., Kipaltsi, Expected species of Uranium, J. Inorg. Nuql. 42 1015-1027 H., and LiljenziinI, Neptunium and Plutonium in Chem. J.O. neutral aqueous solutions 77and/new Anderson, P.A.M. The enthalpy change of the Amer. J. Sci. 277 585-593 Newton, R.C., an(d andalusite-sillimanite Kleppa, O.J. reaction and the Al2SiO5 diagram
B-98
( ( ( ( (
VOL. PAGES SQUIBB REF AUTHOR TITLE PUBLISHER 4 1102-1106 68arn Arnek, R. Thermochemical studies of Acta Chem. Scand. hydrolytic reactions 46 1513-1532 82arn/sig Arnorsson, S., The chemistry of geothermal Geochim. Cosmochim. Sigurdsson, S., and waters in Iceland. I. Acta Svavarsson, H. Calculation of aqueous speciation from 0 to 370degC Soc. Dalton 2534-2538 75aru Aruga, R. Thermodynamics of ion pairing J. Chem. of nitrate and chlorate with Trans. metal ions in aqueous solution 30 1013-1018 68azi/lyl Aziz, A., Lyle, S., Chemical equilibria in J. Inorg. Nucl. and Naqvi, S. americium and curium sulphate Chem. and oxalate systems and an application of a liquid scintillation counting method 31 3471-3480 69azi/lyll Aziz, A., and Lyle, Equilibrium constants for J. Inorg. Nucl. Chem. S. aqueous fluoro complexes of scandium, yttrium, americium(III) and curium(III) by extraction into di-2- ethylhexyl phosphoric acid Acta 47 49-56 69azi/lyl2 Aziz, A., and Lyle, Applications of the fluoride- Analyt. Chim. S.J. sensitive electrode to the study of metal-fluoride ion association constants 10 605-609 59bab/mch Babushkin, W.I., and Thermodynamics of the Silikattechnik Mchedlov-Petrosyan, reactions in the systems: O.P. Ca(OH)2-SiO2-H20,B-C2S-H20 and C3S-H20 under normal and hydrothermal conditions 489p 76bae/mes Baes, C.F.Jr., and The hydrolysis of cations Wiley-Interscience, Mesmer, R.E. New York
B-99 SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
76bag/raml Bagawde, S.V., Aqueous TTA complexing of J. Inorg. Nucl. 38 2085-2089 Ramakrishna, V.V., Np(IV) and Pu(IV) Chem. and Patil, S.K. 76bag/ram2 Bagawde, S.V., Complexing of tetravalent J. Inorg. Nucl. 38 1339-1345 Ramakrishna, V.V., plutonium in aqueous solutions Chem. and Patil, .S.K. 71bai/lar Bailey, A.R., and Heats of dilution and the J. Phys. Chem. 75 2368-2372 Larson, J.W. thermodynamics of dissociation of uranyl and vanadyl sulfates 79bal/jen Ball, J.W., Jenne, WATEQ2 - A computerized ACS Symp. Ser. 93, 815-835 E.A., and Nordstrom, chemical model for trace and Amer. Chem. Soc., D.K. major element speciation and Washington mineral equilibria of natural waters, in Jenne, E.A., ed., Chemical modeling in aqueous systems: Speciation, sorption, solubility, and kinetics 1 0 9 8Obal/nor Ball, J.W., Additional and revised U.S.G.S. Water Res. p Nordstrom, DK., and thermochemical data and Inv. 78-116 Jenne, E.A. computer code for WATEQ2 - A computerized chemical model for trace and major element speciation and mineral equilibria of natural waters 65bar Barany, R. Heats of formation of goethite U.S. Bur. Mines Rep. 10 ferrous vanadate, and Inv. 6618 manganese molybdate 65bar/ada Barany, R., and Heats of formation of U.S. Bur. Mines Rep. Adami, L.H. anhydrous ferric sulfate and Inv. 6687 indium sulfate
B-100
( ( ( ( (
SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
7 7bar/kna Barin, I., Knacke, Thermochemical properties of Springer-verlag, New O., and Kubaschewski inorganic substances. York 0. Supplement 73bar/kna Barin, I., and Thermochemical properties of Springer-Verlag, New Knacke, 0. inorganic substances York 81bar/lan Barnes, H.L. and Thermochemical data for Unpub. Bur. Mines Langmuir, D. substances at 25degC and 1 atm Rep. total pressure 6Obar Barton, P., and Thermodynamic properties of Amer. J. Sci. 258- 21-34 Bethke, P. some synthetic zinc and copper minerals 7Obas/smi Baskin, Y., and Enthalpy of formation data on J. Nucl. Matl. 37 209-222 Smith, S.D. compounds of uranium with groups Va and VIa elements 77bas Bassett, R.L. The geochemistry of boron in Unpub. Ph.D. Diss., 290p thermal waters Stanford Univ., Stanford, CA 80bas Bassett, R.L. A critical evaluation of the Geochim. Cosmochim. 44 1151-1160 thermodynamic data for boron Acta ions, ion pairs, complexes, and polyanions in aqueous solution at 298.15 k and 1 bar 72bat/luk Batsanova, L.R., and Structure of "hydrated" rare Russ. J. Inorg. 17(5 629-631 Lukina, L.V. earth element trifuorides Chem. 81bau Bauman, J.E. Thermodynamic measurements of U.S. Bur. Mines Rep. 268-274 carbonate equilibria involving Inv. 8853 metal ions, in Gokcen, N.A., Mrazek, R.V., and Pankratz, L.B., eds., Techniques for measurement of thermodynamic properties
B-101 VOL. PAGES SQUIBB REF AUTHOR TITLE PUBLISHER
J. Chem. 11 458-470 58bea/mct Bear, J., and The sulphides, selenides, and Austral. McTaggart, H. tellurides of titanium, zirconium, hafnium, and thorium Radiochem. 21 386-387 79bel/dob Belyaev, Y.I., Enthalpy and heat capacity of Sov. Dobretsov, V.N., and Np2O5 over the temperature (Engl. .transl.) Ustinov, V.A. range 350-759K Sci. Soc. 40 39-42 76ben/ada Bennett, A.C., and Solubility and solubility Soil. Adams, F. product of dicalcium phosphate Amer. Jour. dihydrite in aqueous solutions and soil solutions Proc. 4th Intl. 247-257 6Ober/new Berman, H.A., and Heat of formation of calcium Chem. Cement Newman, E.S. trisulfoaluminate at 25degC Symp. J. Petrol. 29 445-522 88ber Berman, R.G. Internally- consistent thermodynamic data for minerals in the system Na2O- 2 3 K20-CaO-MgO-FeO-Fe2O3-Al O - SiO2-TiO2-H20-C02 J. Petrol. 27 1331-1364 86ber/eng Berman, R.G., Engi, Deviation of internally- M., Greenwood, H.J., consistent thermodynamic data and Brown, T.H. by the technique of mathematical programming: a review with application to the system MgO-SiO2-H20 J. Chem. Thermo. 19 595-604 87bet/gou Bettonville, S., Thermodynamics of lanthanide Goudiakas, J., and elements. III. Molar Fuger, J. enthalpies of formation of Tb3+(aq), Ho3+(aq), Yb3+(aq), Yb2+(aq), TbBr3(cr), HoB3(cr), and YbBr3(cr) at 298.15K
B-102
( ( ( ( ( (
SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES 373-382 83bid/dep Bidoglio, G., De Studies on speciation of North-Holland, New 15' Plano, A., and Chatt americium, technecium and York A. neptunium in simulated vitrified-waste leachates, in Brookins, G., ed., Scientific basis for nuclear waste management. VI. Proc. Mat. Res. Soc. Symp. 46 921-928 82bil/sch Bilinski, H., and Solubility and equilibrium Geochim. Cosmochim. Schindler, P. constants of lead in carbonate Acta solutions (25degC, I=0.3 mol/dm3) 2-3 73bil/stu Bilinski, H., and Pb(II)-species in natural Swiss Fed. Inst. Stumm, W. waters Tech., EAWAG News no. 1 Chem. 68 802-805 68bil/cot Bills, F., and The heat of formation of J. Phys. Cotton, F. germanium dioxide 9 898-899 77bir/hel Bird, D.K., and Prediction of the chemical Geol. Soc. Amer. Helgeson, H.C. characteristics of geothermal Abs. Prog. reservoir fluids from authigenic mineral assemblages 232 1474-1477 5lboc Bochirol, L. Chaleur specifique vraie des Compt. Rend. ferrites de zinc, de nickel et de cobalt 34 603-607 72bon/hef Bond, A.M., and A study of the weak fluoride J. Inorg. Nucl. Hefter, G. complexes of the divalent Chem. first row transition metal ions with a fluoride ion- selective electrode 28 207-215 7Obon/tay Bond, A.M., and Polarographic studies of the J. Electroanal. Taylor, R.J. flouride complexes of Tin(II) Chem. in neutral and acidic media
B-103 SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
78bou/mic Boulegue, J., and Constantes de formation des Jour. Franc. 9 27-34 Michard, G. ions polysulfures S6--, S5-- d'Hydrol. et S4-- en phase aqueuse 93bou/kna Bourcier, W.L., Aluminum hydrolysis constants Geochim. Cosmochim. 57 747-762 Knauss, K.G., and to 250degC from boehmite Acta Jackson, K.J. solubility measurements 87bou/bar Bourcier, W.L., and Ore solution chemistry. VII. Econ. Geol. 82 1839-1863 Barnes, H.L. Stabilities of chloride and bisulfide complexes of zinc to 350degC 83bow/hel Bowers, T.S., and Calculation of the Geochim. Cosmochim. 47 1247-1275 Helgeson, H.C. thermodynamic and geochemical Acta consequences of nonideal mixing in the system H20-C02- NaCl on phase relations in geologic systems: equation of state for H20-C02-NaCl fluids at high pressures and temperatures 65bri Bricker, 0. Some stability relations in Amer. Mineral. 50 1296-1354 the system Mn-02-H20 at 25degC and one atmosphere total pressure 58bro/gia Brodale, B., and Low temperature heat capacity J. Amer. Chem. Soc. 80 2042-2044 Giauque, W. and entropy of sodium sulfate decahydrate 9 68bro Brown, D. Halides of the transition Wiley, New York 19 p elements: halides of the lanthanides and actinides 69bun/fuc Bunch, T.E., and A new mineral: Brezinaite Amer. Mineral. 54 1503-18 Fuchs, L.H. Cr3S4 and the Tucson meteorite
B-104
( ( K ( (
PUBLISHER VOL. PAGES SQUIBB REF AUTHOR TITLE Geochim. Cosmochim. 48 2021-2035 84bus/plu Busenberg, E., The solubility of strontianite Plummer, L.N., and (SrCO3) in C02-H20 solutions Acta Parker, V.B. between 2 and 9ldegC, the association constants of SrHCO3+(aq) and SrCO3(aq) between 5 and 80degC, and an evaluation of the thermodynamic properties of Sr++(aq) and SrCO3(cr) at 25degC and 1 atm total of potassium J. Chem. Thermo. 4 77-84 72bus/bev Buses, R.H., Bevan, The heat capacity R.B.jr., and Gilbert pertechnetate from 10 to 310K. R.A. Entropy and Gibbs energy. Entropy of the aqueous pertechnetate ion LANL, LANL-1105 27p 50bus/cow Busey, G.A., and Behavior of plutonium(III) Cowan, H.D. chloride in titrations with base and acid of Inorg. Chem. 16 2444-2450 77bus/mes Busey, R.H., and Ionization equilibria Mesmer, R.E. silica acid and polysilicate formation in aqueous sodium chloride to 300degC of Russ. J. Inorg. 7 619-620 62bus Buslaev, Y. Instability constants complex zirconium flourides Chem. J. Soln. Chend. 10 51-67 81byr/kes Byrne, R.H., and Ultraviolet spectroscopic Kester, D.R. study of ferric equilibria at high chloride concentrations of J. Soln. Chem. 16 555-566 87can/byr Cantrell, K.J., and Temperature dependence Byrne, R.H. europium carbonate complex at ion
B-105 SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
69car Carpentier, J.M. Etude par electrophorese de la Bull. Soc. Chim. 11 3851-3855 complexation de l'uranium(VI), France de l'etian(II) et du bismuth(III) 6Ocar/oll Carrel, B., and Studies on the hydrolysis of Acta Chem. Scand. 14 1999-2008 Ollin, A. metal ions. 31. The complex formation between Pb24 and OH in Na(OH.CIO4) medium 88cha/new Chandratillake, M.R. Nuclear science and W.S. Atkins Engr. Newton, G.W.A., and technology: Chemval project; Sci., Epsom, Surrey, Robinson, V.J. comparison of thermodynamic UK databases used in geochemical modeling 74cha/cur Chase, M.W., Curnutt Janaf thermochemical tables, J. Phys. Chem. Ref. 3 311-480 J.L., Hu, A.T., 1974 supplement Data Prophet, H., Syverud A.N., and Walker, L.C. 75cha/cur Chase, M.W., Curnutt Janaf thermochemical tables, J. Phys. Chem. Ref. 4 176 p J.L., McDonald, B.A. 1975 supplement Data and Syverud, A.N. 85cha/dav Chase, M.W., Davies, Janaf thermochemical tables J. Phys. Chem. Ref. 14 1856p C.A., Downey, J.R., 3rd ed., 1985 supplement Data Frurip, D.J., McDonald, R.A., and Syverud, A.N. 76cho/unr Choppin, G., and Thermodynamic study of Baden-Baden, Germany 97-107 Unrein, P. - actinide fluoride complexation in Muller, W., and Linder, R., eds., Proc. 4th Intl. Transplutoniun Symp.
B-106 ( ( ( (
SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
83chr/iza Christensen, J.J., Handbook of metal ligand heats Marcel Dekker, New 781p and Izatt, R.M. 3rd ed. York 56chu 1 Chukhlantsev, V.G. The solubility products of a Russ. J. Anal. Chem. 11 565 number of arsenates 56chu 2 Chukhlantsev, V.G. Solubility products of Russ. J. Inorg. 1 1975-82 arsenates Chem, 66cla Clark, Jr., S.P. Handbook of physical constants Geol. Soc. Amer., 587p (ed.) New Haven, CN 82cob/mur Cobble, J.W., Murray High-temperature thermodynamic EPRI Rep. np-2400, 186p R.C., Turner, P.J., data for species in aqueous Res. Proj. 1167-1 and Chen, K. solution 76cod Codata Recommended key values for J. Chem. Thermo. 8 603-605 thermodynamics 77cod Codata Recommended key values for J. Chem. Thermo. 9 705-706 thermodynamics 78cod Codata Recommended key values for J. Chem. Thermo. 10 903-906 thermodynamics 86coh/tay Cohen, E.R., and The 1986 adjustment of the CODATA Bull. 63 36p Taylor, B.N. fundamental physical constants 7lcon/mcv Connick, R., and The aqueous chemistry of J. Amer. Chem. Soc. 71 3182-3191 McVey, W. zirconium 47coo Cook, O.A. High-temperature heat contents J. Amer. Chem. Soc. 69 331-333 of V203, V204, and V205 82cor/mui Cordfunke, E.H.P., The thermodynamic properties J. Chem. Thermo. 14 313-322 Muis, R.P., of Na2UO4, Na2U207, and NaUO3 Ouweltjes, W., Flotow, H.E., and O'Hare, P.A.G. 78cor/oha Cordfunke, E.H.P., The chemical thermodynamics of Intl. Atom. Ener. 13-52 and O'Hare, P.A.G. actinide elements and Agency, Vienna compounds. III. Miscellaneous actinide compounds
B-107 PUBLISHER VOL. PAGES SQUIBB REF AUTHOR TITLE Amer. Chem. Soc. J. 72 2262-2265 50cou/kin Coughlin, J., and High-temperature heat contents King, E. of some zirconium-containing substances Amer. Chem. Soc. J. 72 5445-5447 50cou Coughlin, J.P. High-temperature heat contents of manganous sulfide, ferrous sulfide and pyrite J. Amer. Chem. Soc. contents 77 868-870 55cou Coughlin, J.P. High-temperature heat heats of transition, and heat of fusion of anhydrous sodium sulfate J. Amer. Chem. Soc. 73 3891-3893 51cou/kin Coughlin, J.P., King High-temperature heat contents E.G., and Bonnickson of ferrous oxide, magnetite E.R. and ferric oxide heat content J. Phys. Chem. 61 767-769 57cou/obr Coughlin, J.P., ;and High temperature O'Brien, C.J. of calcium orthosilicate Geochim. Cosmochim. 48 649-659 Couturier, Y., Constantes de formation des 84cou/mic Acta Michard, G., and complexes hydroxydes de Sarazin, G. l'aluminium en solution aqueuse de 20 a 70degC of J. Chem. Thermo. 11 811-814 79cox/har Cox, J.D., Harrop, The standard enthalpy D., and Head, A.J. formation of ammonium nitrate and of the nitrate ion Hemisphere Pub., New 271p Cox, J.D., Wagman, Codata key values for 88cox/wag York D.D., and Medvedev, thermodynamics V.A. Hemisphere Pub., New 271p 89cox/wag Cox, J.D., Wagman, Codata key values for D.D., and Medvedev, thermodynamics York V.A. the buffer Geochim. Cosmochim. 42 1427-1437 78cre/sus Crerar, D.A., Susak, Solubility of N.J., and Borcsik, assemblage pyrite + pyrrhotite Acta M. + magnetite in NaCl solutions from 200 to 350degC
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( (. (, ( ( (
SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
74cre/bar Crerar, D.A., and Deposition of deep-sea Geochim. Cosmochim. 38 279-300 Barnes, H.L. manganese nodules Acta 64cri/cobl Criss, C.M., and The thermodynamic properties J. Amer. Chem. Soc. 86 5385-5390 Cobble, J.W. of high temperature aqueous solutions. IV. Entropies of the ions up to 200degC and the correspondence principle 64cri/cob2 Criss, C.M., and The thermodynamic properties J. Amer. Chem. Soc. 86 5390-5393 Cobble, J.W. of high temperature aqueous solutions. V. The calculation of ionic heat capacities up to 200degC. Entropies and heat capacities above 200degC 88db 1 Database development Database additions - Smectite LLNL Internal Memo group end member volumes 88db 2 Database development Clinoptilolite endmembers and LLNL Internal Memo group clinoptilolite solid solution 89db 1 Database development Database changes for the LLNL Internal Memo group zeolite heulandite 89db 2 Database development Clinoptilolite -- O'Hare's LLNL Internal Memo group single point data 89db 3 Database development Error report and resolution LLNL Internal Memo group for zeolite gismondine 89db 4 Database development Error report and resolution LLNL Internal Memo group for species Mn(OH)3 89db 6 Database development Zeolite thermodynamic data LLNL Internal memo group 89db7 Database development Clinoptilite solid solution LLNL Internal Memo group end member thermodynamic data 90db 1 Database development Iron chloride stability LLNL Internal Memo group constants
B-109 SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES LLNL Internal Memo 9Odb2 Database development Zeolite volumes group LLNL Internal Memo 88db 3 Database development Errors in computation of group iii/3 estimated delH298 for montmor- x endmembers of smectite-di solid solution LLNL Internal Memo 88db 4 Database development Thermodynamic data for Cs- group iii/4 Smectite solid solution endmembers LLNL Internal Memo 88db 5 Database development Clinoptilolite endmembers and Clinoptilolite solid solutions group vi/1 LLNL Internal Memo 88db 6 Database development Database changes for aluminium group xii/1 hydrolysis constants 4 3 5 p 63dee/how Deer, W.A., Howie, Rock-forming minerals, vol. 4, Wiley, New York R.A., and Zussman, framework silicates J. 76 283-310 76del/hal Dellien, I., Hall, Chromium, molybdenum, and Chem. Rev. F.M., and Hepler, tungsten: Thermodynamic L.G. properties, chemical equilibria, and standard potentials 18(6 806-808 74dem/buk Dem'yanets, L.N., Hydrothermal synthesis, x-ray Sov. Phys. Cryst. Bukin, V.I., diffraction, and Enel'yanova, E.N., thermogravimetric study of and Ivanov, V.I. rare-earth hydroxychlorides Ln(OH)2Cl 992-998 51den/mon Denney, T.O., and Ion pair formation in Trans. Faraday Soc. 33 Monk, C.B. I thiosulfate solutions 80don/lan Dongarra, G., and The stability of UO20H+ and Geochim. Cosmochim. 44 1747-1751 Langmuir, D. U02(HPO4)2-- complexes at Acta 25degC
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( ( ( (
PUBLISHER VOL. PAGES SQUIBB REF AUTHOR TITLE NSRDS and JCPDS 78don Donnay, J.D.H. (ed.) Crystal data determinative tables, 3rd ed., vol. IV; inorganic compounds 1967-69 U.S. Dept. Comm., 73don Donnay, J.D.H., and Crystal data determinative JCPDS Ondik, H.M. (eds.) tables, 3rd ed., vol II: NBS, Inorganic compounds of U.S. Natl. Bur. 71 185-193 67dou/dit Douglas, T.B., and Measured relative enthalpy Stds. J. Res. Ditmars, D.A. anhydrous crystalline aluminum trifluoride, AlF3 from 273 to 1173K and derived thermodynamic properties from 273 to 600K of sulfate ions J. Inorg. Nucl. 41 1565-1568 79dou/den Dousma, J., Den The influence Chem. Ottelander, D., and on the formation of iron(III) De Bruyn, P.L. oxides of Unpub. Ph.D. Diss., 81dru Drummond, S.E. Boiling and mixing hydrothermal fluids: Chemical Pennsylvania State effects on mineral Univ., State College precipitation PA and their J. Indian Chem. Soc. 38 249-252 6ldut/gup Dutt, N.K., and Fluorarsenates Gupta, A. analogues with sulphates. Part III. Stability of fluorarsenate ion and its comparison with fluorphosphate ion properties of LBL Rep. LBL-14325 125p 83ede/buc Edelstein, N., Thermodynamic Bucher, J., Silva, chemical species in nuclear R., and Nitsche, H. waste I heat capacity, J. Phys. Chem. 65 1265-1270 61ega/wak Egan, E.P., Low temperature Wakefield, Z.T., and entropy and heat of formation Luff, B.B. of crystalline and colloidal ferric phosphate dihydrate
B-111 SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
5Oega/wak Egan, E.P., jr, High-temperature heat content J, Amer. Chem. Soc. 72 2418-2421 Wakefield, Z.T., and of hydroxyapatite Elmore, K.L. 7Selg/wed Elgquist, B., and Stability of ion pairs from Marine Chem. 3 215-225 Wedborg, M. gypsum solubility: Degree of ion pair formation between the major constituents of seawater 78elg/wed Elgquist, B., and Stability constants of NaSO4-, Marine Chem. 6 243-252 Wedborg, M. MgSO4, MgF+, MgCl+ ion pairs at the ionic strength of seawater by potentiometry 76eme Emerson, S. Early diagenesis in anaerobic Geochim. Cosmochim. 40 925-934 lake sediments: Chemical Acta equilibria in interstitial waters 66eyr Eyring, L. (ed.) Progress in the science and Pergamon, Oxford p97 technology of the rare earths, vol. 2 1887fab Fabre, M.C. Recherches thermiques sur les Annuls. Chem. Phys. 10 472-550 seleniures 87fei/sax Fei, Y., and Saxena, An equation for the heat Geochim. Cosmochim. 51 251-254 S.K. capacity of solids Acta 76fer/stu Ferrante, B., Stuve, Thermodynamic data for U.S. Bur. Mines Rep. 13 J., and Richardson, synthetic dawsonite Inv. 8129 D. 83fer/gre Ferri, D., Grenthe, Studies on metal Carbonate Acta Chem. Scand. I., Hietanen, S., equilibria. 5. The cerium(III) and Salvatore, F. carbonate complexes in aqueous perchlorate media 76flo/osb Flotow, H.E.; Osborn Heat capacity of 242-PuO2 from J. Chem. Phys. 63 1224-1229 D.W., Fried, S.M., 12 to 350K and of 244-PuO2 and Malm, J.G. from 4 to 25K. Entropy, enthalpy, and gibbs energy of formation of PuO2 at 298.15K
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VOL. PAGES SQUIBB REF AUTHOR TITLE PUBLISHER Thermo. 2 623-630 70fre/cha Fredrickson, D.R,, Enthalpy of uranium dioxide J. Chem. and Chasanov, B.G. and sapphire to 1500K by drop calorimetry Atom. Ener. 16-60 76fug/oet Fuger, J., and The chemical thermodynamics of Intl. Oetting, F.L. actinide elements and Agency, Vienna compounds. II. The actinide aqueous ions J. Inorg. Nucl. 25 567-574 63gal/stu Galal-Gorchev, H., The reaction of ferric iron and Stumm, W. with orthophosphate Chem. Freeman Cooper, San 450 65gar/chr Garrels, R.M., and Solutions, Minerals, and Christ, C.L. Equilibria Francisco Hemisphere Pub., New 356p 87gar/par Garvin, D., Parker, CODATA thermodynamic tables: V.B., and White,jr., Selections for some compounds York H.J. of calcium and related mixtures: A prototype set of tables U.S. Natl. Bur. 39 309-316 47gin/cor Ginnings, D.C., and Heat capacities at high Corruccini, R.J. temperatures of uranium, Stds. J. uranium trichloride, and uranium tetrachloride of Quart. Rev. 125-153 6lgre Green, J.H.S. Thermodynamic properties organic oxygen compounds J. Amer. Chem. Soc. 78 6226-6227 56gre/wes Grenier, G., and The heat capacity and Westrum, E. thermodynamic functions of sodium metaborate from 5 to 350K North-Holland, 1 714p 92gre/fug Grenthe, I., Fuger, Chemical Thermodynamics, J., Konings,IR.J.M., Volume 1: Chemical Amsterdam Lemire, R.J., Muller Thermodynamics of Uranium A.B., Nguyen-Trung, C., and Wanner, H.
B-113 SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
88gre/wanl Grenthe, I., and Guidelines for the OECD NEA Data Bank, 1-22 Wanner, H. extrapolation to zero ionic F-91191, Gif-sur- strength Yvette, France 68gro Gronvold, F. Heat capacities and Acta Chem. Scand. 22 1219-1240 thermodynamic properties of the iron selenides Fel.04Se, Fe7Se8, and Fe3Se4 from 298 to 1050K 73gro Gronvold, F. Heat capacities and J. Chem. Thermo. 5 525-531 thermodynamic properties of hexagonal and liquid selenium in the range 298 to 1000K. Enthalpy and temperature of fusion 75gro Gronvold, F. Heat capacity and Acta Chem. Scand. 29a 945-955 thermodynamic properties of bismuth in the range 300 to 950K. Fusion characteristics 7Ogro/kve Gronvold, F., Thermodynamics of the U02+x J. Chem. Thermo. 2 665-680 Kveseth, N.J., Sveen phase 1. Heat capacities of A., and Tichy, J. U02.017 and U02.54 from 300 to 1000K and electronic contributions 59gro/wes Gronvold, F., Heat capacities and J. Chem. Phys. 30 528-531 Westrum, F., and thermodynamic properties of Chou, C. pyrrhotites FeS and FeO.887S from 5 to 350K 71han/pet Hanna, E.M., Ion association and the Electrochim. Acta 10 677-686 Pethybridge, A.D., analysis of precise and Prue, J.E. conductimetric data
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( ( ( ( ( (
SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
81har Harvie, C.E. Theroretical investigations in Unpub. Ph.D. Diss., geochemistry and atom surface Univ., California, scattering San Diego 48 723-751 84har/mol Harvie, C.E., Moller The prediction of mineral Geochim. Cosmochim. N., and Weare, J.H. solubilities in natural Acta waters: The Na-K-Mg-Ca-H-Cl- S04-OH-HCO3-CO3-C02-H20 system to high ionic strengths at 25degC 44 981-997 80har/wea Harvie,C.E., and The prediction of mineral Geochim. Cosmochim. Weare, J.H. solubilities in natural Acta waters: The Na-K-Mg-Ca-Cl-S04- H20 system from zero to high concentration at 25degC 51 2211-2218 87haz/rob Hazelton, H.T., Heat capacites of synthetic Geochim. Cosmochim. Robie, R.A., and hedenbergite, ferrobustamite Acta Hemingway, B.S. and CaFeSi2O6 glass J. Sci. 267 729-804 69hel Helgeson, H.C. Thermodynamics of hydrothermal Amer. systems at elevated temperatures and pressures 3p 83hel Helgeson, H.C. Supcrt update Unpub. note Sci. 278a 2 2 9 p 78hel/del Helgeson, H.C., Summary and critique of the Amer. J. Delany, J.M., thermodynamic properties of Nesbitt, H.W., and rock-forming minerals Bird, D.K. 281 1249-1516 81hel/kir Helgeson, H.C., Theoretical prediction of the Amer. J. Sci. Kirkham, D.H., and thermodynamic behavior of Flowers, G.C. aqueous electrolytes at high pressures and temperatures. IV. Calculation of activity coefficients, osmotic coefficients, and apparent molal and standard and relative partial molal properties to 600degC and 5 kb
B-115 SQUIBB REF AUTHOR t TITLE PUBLISHER VOL. PAGES
74 he/kir1 Helgeson, H.C., and Theoretical prediction of the Amer. J. Sci. 274 1089 -1198 Kirkham, D.H. thermodynamic behavior of aqueous electrolytes at high pressures and temperatures. I. Summary of the thermodynamic/e lectrostatic properties of the solvent 74hel/kir2 Helgeson, H.C., and Theoretical prediction of the Amer. J. Sci. 274 1199-1261 Kirkham, D.H. thermodynamic behavior of aqueous electrolytes at high pressures and temperatures. II. Debye-huckel parameters for activity coefficients and partial molal properties 76hel/kir Helgeson, H.C., and Theoretical prediction of the Amer. J. Sci. 276 97-240 Kirkham, D.H. thermodynamic behavior of aqueous electrolytes at high pressures and temperatures. III. Equation of state for aqueous species at infinite dilution 80hem Hem, J.D. Redox coprecipitation Amer. Chem. Soc., 189 45-72 mechanism of manganese oxides, Adv. Chem. Ser. in Kavanaugh, M.C., and Leckie J.O., eds., Particulates in Watelj 82hem Hemingway, B.S., Thermodynamic properties of U.S.G.S. Open-file 90p selected Uranium compounds and Rep. 82-619 aqueous species at 298.15K and 1 bar and at higher temperatures - Preliminary models for the origin of Coffinite deposits
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SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES Hemingway, B.S. 273-279 87hem Hemingway, B.S. Quartz: heat capacities from Amer. Mineral. 72 340 to 1000K and revised values for the thermodynamic properties 69 701-710 84hem/rob Hemingway, B.S., The heat capacities of Amer. Mineral. Robie, R.A., osumilite from 298.15 to 1000K Kittrick, J.A., Grew the thermodynamic properties E.S., Nelen, J.A., of two natural chlorites to and London, D. 500K, and the thermodynamic properties of petalite to 1800K 5 413-429 77hem/rob Hemingway, B.S., and Enthalpies of formation of low, U.S.G.S. J. Res. Robie, R.A. albite (NaAlSi3O3), gibbsite (Al(OH)3), and NaAl02 revised values for Hf,298K and Gf,298K of Alumino-Silicates Soc. 80 6181-3 58hep Hepler, L.G. Thermodynamics of aqueous J. Amer. Chem. hydrogen chromate and dichromate ions. Heats of formation of chromates and dichromates 32 213-247 87his/ben Hisham, M.W.M., and Thermochemistry of inorganic J. Chem. Eng. Data Benson, S.W. solids. 5. Empirical relations among enthalpies of formation of oxides, carbonates, sulfAtes, hydroxides, and nitrates Data 310p 82hog Hogfeldt, E,. Stability constants of metal- IUPAC Chem. ion complexes. part A: Ser. no. 21, Inorganic ligands Pergamon, Oxford
B-117 SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
90how/jo Howell, D.A., Thermodynamic properties of Zeolites 10, 525-531 Johnson, G.K., the zeolite stilbite Tasker, I.R., O'Hare P.A.G., and Wise, W.S. 68hub/hea Huber, E., Head, E., The heats of formation of J. Phys. Chem. 68 3040-3042 and Holley, C. zirconium diboride and dioxide 73hul/tur Hull, H., and A thermochemical study of Geochim. Cosmochim. 37 685-694 Turnbull, A. monohydrocalcite Acta 73hul/des Hultgren, R., Desai, Selected values of the Amer. Soc. Metals, 636p P.D., Hawkins, D.T., thermodynamic properties of Metals Park, OH Gleiser, M., Kelley, the elements K.K., and Wagman, D.D. 5 7 9 7lhur Hurlbut, jr., C.S. Dana's Manual of Mineralogy, Wiley, New York p (ed.) 18th ed. 7Ohin/cob Inchey, R.J., and The thermodynamic functions of Inorg. Chem. 9 922-926 Cobble, J.W. Pu3+(aq) and the entropies for some trivalent actinide ions 63ing Ingri, N. Equilibrium studies of Acta Chem. Scand. 17 581-589 polyanions. 11. Polyborates in 3.0 m Na(Br), 3.0 m Li(Br) and 3.0 m K(Br), a comparison with data obtained in 3.0 m Na(C104) 76isr/mei Israel, Y., and Vanadium, in Bard, A.J., ed., Marcel Dekker, New 7 293-453 Meites, L. Encyclopedia of York electrochemistry of the elements 57kiu/wag Iukkola, K., and Measurements on galvanic cells J. Electro. Chem. 104 379-387 Wagner, C. involving solid electrolytes Soc.
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SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
74iva/kur Ivakin, A.A., A spectrophotometric study of Russ. J In org. 19 714(387-89) Kurbatova, L.D., and vanadium(V) phosphate Chem. Voronova, E.M. complexes in aqueous solutions 73iva/yat Ivakin, A.A., Solubility of the products of Russ. J. Inorg. 18 2100(1111-3 Yatsenko, A.P., and the hydrolytic precipitation Chem. Matveeda, N.S. of vanadium in perchloric, nitric, and sulfuric acids 69iva/vor Ivakin, A.A., and Complex formation in V02+ - F- Russ. J. Inorg. 14 1557(815-18 Voronova, E.M. H20 system Chem. 69iza/eatl Izatt, R.M., Eatough Calorimetrically determined J. Chem. Soc. A 45-47 D., Christensen, logK, delHO, and delSO values J.J., and for the interaction of Bartholomew, C.H. sulphate ion with H+, Na+, and K+ in the presence of tetra-n- alkyl-ammonium ions 69iza/eat2 Izatt, R.M., Eatough Calorimetrically determined J. Chem. Soc. A 47-53 D., Christensen, logK, delHO, and delSO values J.J., and for the interaction of Bartholomew, C.H. sulphate ion with several bi- and ter-valent metal ions 84jac/hel Jackson, K.J., and Chemical and thermodynamic Geochim. Cosmochim. 49 22p Helgeson, H.C. constraints on the Acta hydrothermal transport and deposition of Tin. I. Calculation of the solubility of cassiterite at high pressures and temperatures 85jac/hel Jackson, K.J:, and Chemical and thermodynamic Econ. Geol. 80 1365-1378 Helgeson, H.C. constraints on the hydrothermal transport and deposition of tin: II. Interpretation of phase relations in the southeast asian tin belt
B-119 PUBLISHER VOL. PAGES SQUIBB REF AUTHOR TITLE Met. Trans. B 6b 215-221 75jac/alc Jacob, K.T., and The oxygen potential of the Alcock, C.B. systems Fe+FeCr2O4+Cr2O3 and Fe+FeV204+V203 in the temperature range 750-1600degC Unpub. Ph.D. Diss., 244p 82jan Janecky, D.R. Serpentinization of peridotite within the oceanic crust: Univ. Minnesota, Experimental and theoretical Minneapolis, MN investigations of seawater- peridotite interaction at 20degOC and 300degC, 500 bars Trans. Faraday Soc. 59 2718-2722 63jan/kel Janz, G.J., Kelly, Melting and pre-melting F.J., and Perano, effects in the alkaline earth J.L. halides JCPDS Intl. Cent. 86jen Jenkins, R. (ed.) Mineral powder diffraction file Diffraction Data, Swarthmore, PA of Amer. Mineral. 67 736-748 82joh/flo Johnson, G.K., Thermodynamic studies Flotow, H.E., O'Hare zeolites: Analcime and P.A.G., and Wise, dehydrated analcime W. S. of Amer. Mineral. 68 1134-1145 83joh/flo Johnson, G.K., Thermodynamic studies Flotow, H.E., O'Hare zeolites: Natrolite, mesolite, P.A.G., and Wise, and scolecite W.S. of Amer. Mineral. 70 1065-1071 85joh/flo Johnson, G.K., Thermodynamic studies Flotow, H.E., O'Hare zeolites: heulandite P.A.G., and Wise, W.S. of Amer. Mineral. 77 85-93 92joh/tas Johnson, G.K., Thermodynamic studies Tasker, I.R., Flotow mordenite, dehydrated H.E, Ohare, P.A.G, mordenite, and gibbsite et al.
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SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES _6joh/tas 86joh/tas Johnson, G.K., Thermodynamic studies of Zeolite Symp., 23rd 2p Tasker, I.R., Flotow zeolites: Mordenite and Ann. Clay Mineral H.E., and Wise, W.S. dehydrated mordenite Soc. Mtg. 91joh/tas Johnson, G.K., Thermodynamic studies of J. Chem. Thermo. 23 475-484 Tasker, I.R., zeolites: clinoptilolite Jurgens, R., and O'Hare, P.A.G. 90joh Johnson, J.W. Regression fit parameters that Pers. calc., LLNL, provide smooth metastable Livermore, CA extrapolation of one-bar steam properties predicted by the Haar et al. (1984) equation of state to temperatures < the saturation temperature (99.632 degC) 92joh/oel Johnson, J.W., SUPCRT92: A software package Computers Geosci. 18 899-947 Oelkers, E.H., and for calculating the standard Helgeson, H.C. molal thermodynamic properties of minerals, gases, aqueous species, and reactions from 1 to 5000 bar and 0 to 1000degC 82joh Johnson, K.S. Solubility of rhodochrosite Geochim. Cosmochim. 46 1805-1809 (MnCO3) in water and seawater Acta 79joh/pyt Johnson, K.S., and Ion association and activity CRC Press, Boca 2 62p Pytkowicz, R.M. coefficients in multicomponent Raton, FL systems, in Pytkowicz, R.M., ed., Activity Coefficients in Electrolyte Solutions 51kap/gol Kapustinskii, A.F., Heat of formation of iron Russ. J. Phys. Chem. 25 729-31 and Golutvin, Y.M. selenide heat range method (in Russian)
B-121 PUBLISHER VOL. PAGES SQUIBB REF AUTHOR TITLE Humphrey Sci. Pub., 7Okar/kar Karapet'yants, Thermodynamic constants of M.K.H., and inorganic and organic Ann Arbor, MI Karapet'yants, M.L. compounds (translated by Schmorak, J. Israel program for scientific translations) of Geochem. Intl. 12 115-121 75kas/bor Kashkay, C.H.M., Determination of delGOf298K Borovskaya,Y.U.B., synthetic jarosite and its and Babazade, M.A. sulfate analogues Wiley, New York 52-66 57kat/sea Katz, J.J., and The chemistry of the actinide Seaborg, G.T. elements data SNL Rep. SAND-87- 92p 87kee/rup Kee, R.J., Rupley, The Chemkin thermodynamic F.M., and Miller, base 8215 J.A. Phys. Stat. Solidi. 11 865-872 6Skel/cru Kelemen, F., Untersuchung einiger Cruceanu, E., and thermischer eigenschaften der Miculescu, D. verbindungen HgSe, HgTe and ZnTe low J. Amer. Chem. Soc. 61 203-207 39kel Kelley, K.K. The specific heats at temperatures of manganese, manganous selenide and manganous telluride U.S. Bur. Mines 4p 49kel Kelley, K.K. High-temperature heat-content, heat-capacity, and entropy Bull. 476 data for inorganic compounds U.S. Bur. Mines 93-94 50kel Kelley, K.K. Entropies of inorganic substances: Revision of data Bull. 477 on U.S. Bur. Mines 232p 60kel Kelley, K.K. Contributions to the data theoretical metallurgy, xiii. Bull. 584 high-temperature heat-content, heat-capacity, and entropy data for the elements and inorganic compounds
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SQUIBB REF AUTHOR I TITLE PUBLISHER VOL. PAGES
59kel/bar Kelley, K.K., Barany Some thermodynamic properties U.S. Bur. Mines Rep. 16p R., King, E.G., and of fluorphlogopite mica Inv. 5436 Christensen, A.D. 46kel/sho Kelley, K.K., Thermodynamic properties of U.S. Bur. Mines 104 p Shomate, C.H., Young ammonium and potassium alums Tech. Paper 688 F.E., Naylor, B.F., and related substances, with Salo, A.E., and reference to extraction of Huffman, E.H. alumina from clay and alunite 6lkel/chr Kelley, K.K., and High-temperature heat content U.S. Bur. Mines Rep. 5 p Christensen, A.U. and entropies of crystalline Inv. 5710 germanium dioxide 61kel/kin Kelley, K.K., and Contributions to the data on U.S. Bur. Mines 149p King, E.G. theoretical metallurgy. XIV. Bull. 592 Entropies of the elements and inorganic compounds 66ken/lis Kennedy, M.B., and Heats of association of Canadian J. Chem. 44 1709-1717 Lister, M.B. aqueous copper, nickel, and cobalt ions with halide ions 83ker Kerrisk, J.F. New manganese thermodynamic LANL Internal Memo t data for the EQ3/6 data base 84ker Kerrisk, J.F. Americium thermodynamic data LANL, LA-10040-MS 39p for the EQ3/6 data base 86ker/sil Kerrisk, J.F., and A consistent set of Proc. Fallen Leaf 1 167-175 Silva, R.J. thermodynamic constants for Lake Workshop, tONF- americium(III) species with 8609134 hydroxyl and carbonate 71kho/nar Khopkar, P.K.,,and Effect of ionic media on the J. Inorg. Nucl. 33 495-502 Narayanankutty, P. stability constants of Chem. chloride, nitrate and thiocyanate complexes of americium(III) and europium(III)
B-123 PUBLISHER VOL. PAGES SQUIBB REF AUTHOR TITLE 667-668 Nippon Kagaku Kaishi 3 ' 72kim/mor Kimura, T., Morinaga The determination of K., and Nakano, K. association constant of vanadium(III) with sulfate ion heat U.S. Bur. Mines Rep. 6 70kin/wel King, E., and Weller Low temperature at Inv. 7369 W. capacities and entropies 298.15K of geothite and pyrophyllite of J. Amer. Chem. Soc. 80 1800-1801 58kin/chr King, E.G., and Heat contents above 298.15K Christensen, A.U., oxides of cobalt and nickel jr. of Z. Kristal. 106 172-182 54kir/pli Kirschning, H.J., Thermodynamic research Plieth, K., and systems of cubic and Stranski, I.N. monoclinic arsenic modifications of Geochem. Intl. 9 1087 72kis/top Kiseleva, I.A., Experimental determination Topor, N.D., and the heat content and heat Mel'chakova, L.V. capacity of grossularite, andradite, and pyrope [abstract only] in Geochem. Intl. 1973 540-547 73kli/bar Klintsova, A.P., and Solubility of cassiterite Barsukov, V.L. water and in aqueous NaOH solutions at elevated temperatures of J. Phys. Chem. 67 933-934 63kbo Klotz, C., and Thermodynamic properties Benson, B. the atmosphereic gases in aqueous solutions of Sci. Rep., Tohoku 34 112-119 50kob 1 Kobayashi, K. The heat capacities inorganic substances at high Univ. temperatures. Part I. The heat capacity of Silver chloride
B-124
K ( ( ( ! (
SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
50kob 2 Kobayashi, K. Heat capacities of inorganic Sci. Rep., Tohoku 34 153-159 substances at high Univ. temperatures. Part II. Heat capacity of calcium hydroxide 51kob Kobayashi, K. The heat capacities of Sci. Rep., Tohoku 35 173-184 inorganic substances at high Univ. temperatures. Part V. The heat capacity of silver oxide 52kob 1 Kobayashi, K. Heat capacities of inorganic Sci. Rep., Tohoku 35 283-292 substances at high Univ. temperatures. Part VI. The heat capacity of silver carbonate 52kob 2 Kobayashi, K. The heat capacities of Sci. Rep., Tohoku, 36 21-26 inorganic substances at high Univ. temperatures. Part VII. The heat capacities of sodium carbonate and sodium bicarbonate 82kru/jen Krupka, K.M., Jenne, Validation of the WATEQ4 Battelle PNL, PNL- 183p E.A., and Deutsch, geochemical model for uranium 4333 W.J. 70kub Kubaschewski, 0. The thermodynamic properties Natl. Phys. Lab., 28 of double oxides Div. Chem. Stds. 72kub Kubaschewski, 0. The thermodynamic properties High Temp. High 4 12p of double oxides Pres. 79kub/alc Kubaschewski, O., Metalurgical Thermochemistry, Pergamon, Oxford and Alcock, C.B. 5th ed. 72kub/bel Kublanovskii, V.S., Formation of ammonia complexes Russ. J. Inorg. 17 129 (68-69) and Belinskii, V.N. of manganese(II) Chem.
B-125 VOL. PAGES SQUIBB REF AUTHOR TITLE PUBLISHER 3 76-86 83kuy/mal Kuyunko, N.S., An experimental study of Geokhim. Malinin, S.D., and aluminum ion hydrolysis at 150 Khodakovskiy, I.L. 200 and 250degC 6 26-69 861ai/azn La Iglesia, A., and A method of estimating the Zeolites Aznar, A.J. gibbs energies of formation of zeolites Chem. Soc. 73 5794-5797 511an Lander, J.J. Experimental heat contents of J. Amer. SrO, BaO, CaO, BaCO, and SrCO3 at high temperatures. Dissociation pressures of BaCO and SrCO3 Prof. Paper 180-183 691an Langmuir, D. The gibbs free energies of U.S.G.S. substances in the system Fe-02 650-b H20-C02 at 25degC Geochim. Cosmochim. 42 547-569 781an Langmuir, D. Uranium solution-mineral equilibria at low temperatures Acta with applications to sedimentary ore deposits ACS Symp. Ser. 93, 353-387 791an Langmuir, D. Techniques of estimating thermodynamic properties for Amer. Chem. Soc., some aqueous complexes of Washington geochemical interest, in Jenne E.A., ed., Chemical Modeling in Aqueous systems: Speciation Sorption, Solubility, and I Kinetics and Geochim. Cosmochim. 46 2005 821an/don Langmuir, D., and The stability of U020H+ Dongarra, G. (U02)2(HP04)2-- complexes at Acta 25degC (reply to a comment by V.S. Tripathi)
B- 126
( ( ( ( (
SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
54mah Mah, A.D. Heats of formation of chromium J. Amer. Chem. Soc. 76 3363-3365 oxide and cadmium oxide from combustion calorimetry 60mah Mah, A.D. Thermodynamic properties of U.S. Bur. Mines Rep. 34p manganese and its compounds Inv. 5600 67mah/pan Mah, A.D., Pankratz, Thermodynamic data for cuprous U.S. Bur. Mines Rep. 20p L.B., Weller, W.W., and cupric oxides Inv. 7026 and King, E.G. 77mar/smi Martell, A.E., and Critical Stability Constants, Plenum, New York 3 4 9 5 p Smith, R.M. Vol. 3: Other Organic Ligands (lst printing) 82mar/smi Martell, A.E., and Critical Stability Constants, Plenum, New York 5 604p Smith, R.M. Vol. 5: First Supplement 89mar/smi Martell, A.E., and Critical Stability Constants, Plenum, New York 3 495p Smith, R.M. Vol. 3: Other Organic Ligands (2nd printing) 77mat/spo Mattigod, S.V., and Estimated association Sci. Soc. Amer. J. 41 1092-1097 Sposito, G. constants for some complexes of trace metals with inorganic ligands. Soil 79mat/spo Mattigod, S.V., and Chemical modeling of trace Amer. Chem. Soc., 837-856 Sposito, G. metal equilibria in Washington contaminated soil solutions using the computer program GEOCHEM, in Jenne, E.A., ed., Chemical Modeling in Aqueous Systems: Speciation, Sorption, Solubility, and Kinetics 82may Maya, L. Hydrolysis and carbonate Inorg. Chem. 21 2895-2898 complexation of dioxouranium(VI) in the neutral-ph range at 25degC
B-128 PUBLISHER VOL. PAGES SQUIBB REF AUTHOR TITLE in Geochim. Cosmochim. 44 1753-1766 Langmuir, D., and The mobility of thorium 801an/her Acta Herman, J.S. natural waters at low temperatures 280-283,331 The oxidation states of the Prentice-Hall, 521at Latimer, W.M. NJ elements and their potentials Englewood Cliffs, in aqueous solutions Inst. Min. Fuels, 115p N.V., The thermodynamics of 601av/kor Lavrov, Acad. Sci. USSR Korobov, V.V., and gasification and gas-synthesis reactions Filippova, F.I. 809-816 of complex Radiokhimiya 21 79leb/fre Lebedev, I., Frenkel Investigation V., Kulyako, Y.U., formation of americium(III) and Myasoedov, F. and americium(IV) in acid solutions phosphoric 53p An assessment of the aecl-7817, atomic 84lem Lemire, R.J. canada thermodynamic behavior of energy of pinawa, neptunium in water and model limited, canada groundwater from 25 to 150degC manitoba, 25 361-370 and plutonium J. Chem. Eng. Data 80lem/tre Lemire, R.J., and Uranium Tremaine, P.R. equilibria in aqueous solutions to 200degC J. Electro. Chem. 134 918-921 Licht, S., and The second dissociation 871ic/man Soc. Manassen, J. constant of H2S metals in Environ. Sci. 11 174-182 Lu, J.C.S., and Chen Migration of trace 771u/che and Technol. K.Y. interfaces of seawater pollutes surficial sediments Scand. 36 741-750 Hydrophilic complexes of the Acta Chem. 821un Lundqvist, R. actinides. I. Carbonates of trivalent americium and europium 16 461-482 The thermodynamics and Corros. Sci. 76mac MacDonald, D.D. theoretical corrosion behavior of manganese in aqueous systems at elevated temperatures
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(. ( ( ( (
SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES 384-386 6 Omch/bab Mchedlov-Petrosyan, Thermodynamics of the Silikattechnik 11 O.P., and Babushkin, silicates and hydrosilicates W.I. of calcium 62mch/bab Mchedlov-Petrosyan, Thermodynamics of the Proc. 4th Intl. 1 533-544 O.P., and Babushkin, hardening processes of cement Symp. Chem. Cement W.I. 537-543 72mes/bae Mesmer, R.E., Baes, Acidity measurements at Inorg. Chem. 11 C.F.Jr., and Sweeton elevated temperatures. VI. F.H. Boric acid equilibria 88p 73met Metivier, H. Contribution a l'etude de Comm. L'energie l'hydrolyse du Plutonium Atom., Rap. CEA-r- tetravalent et de sa 4477 complexation par des acides d'interet bilogique 845p 74mil Mills, K.C. Thermodynamic Data for Butterworths, Inorganic Sulphides, Selenides London. and Tellurides Soc. 65 1398-1399 43moo 1 Moore, G.E. Heat content of manganese J. Amer. Chem. dioxide and carbonate at high temperature Soc. 65 1700-1703 43moo 2 Moore, G.E. Heat contents at high J. Amer. Chem. temperature of the anhydrous chlorides of calcium, iron, magnesium and manganese 14 629-31 69mor/stu Morris, D.C.F., and Formation of an iron(III) Electrochim. Acta Sturgess, P.J. nitrate complex 2 1278-1360 86mor Morss, L.-R. Thermodynamic properties, in Chapman and Hall, Katz, T.T., Seaborg, G.T., and New York Morss, L.R., eds., The Chemistry of the Actinide Elements, 2nd ed.
B-130 SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
6Omay/owe Mayer, S.W., Owens, High-temperature free energy, J. Phys. Chem. 64 911-914 B.B., Rutherford, entropy, enthalpy and heat T.H., and Serrins, capacity of thorium sulfate R.B. 65maz/siv Mazumdar, A.S., and A study of the nitrate and the J. Inorg. Nucl. 27 2423-2427 Sivaramakrishnan, chloride complexes of Chem. C.K. plutonium(VI) by solvent extraction techniques using TTA as the chelating agent 6lmcg/smi McGlynn, S., and The electronic structure, J. Molec. Spec. 6 188-198 Smith, J. spectra, and magnetic properties of actinyl ions. Part II. Neptunyl, and the ground states of other actinyls 73mcm/gsc McMasters, O.D., High temperature heat contents Proc. 10th Rare 2 970-975 Gschneidner, K.A., of the europium chalcogenides, Earth Res. Conf., jr., Kaldis, E., and EuO, EuS, EuSe and EuTe Vienna Sampietro, G. 85mch Mchedlov-Petrossyan, Thermodynamics of Silicates, Springer-Verlag, New 459p O.P., ed. translated by Frenkel, B.N., York and Terentyev, V.A. 6lmch/bab Mchedlov-Petrosyan, A thermodynamic study of the S.M. Kirov Inst. 197-202 O.P., and Babushkin, decomposition reactions of Rail. Trans. Eng. V.I. hydrated silicates on heating 59mch/bab Mchedlov-Petrosyan, The use of crystallochemical Proc. Acad. Sci. 106 121-125 O.P., and Babushkin, data for the thermodynamic USSR W.I. analysis of the processes involved in the hydrothermal synthesis of basic calcium silicates
B-129
( (. ( ( (
SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
51mus Mustajoki, A. Messungen der wahren Suomal. Tiedeakat. 98 7-45 spezifischen warme de KCl-KBr- Toimituk. Annal. Mischkristalle im Acad. Sci. Fenn. temperaturbereich 50-450degC 68mut/hir Muto, T., Hirono, S. Some aspects of fixation of Japan Atom. Ener. 15 287-298 and Kurata, H. uranium from natural waters Res. Inst. Rep. NSJ Transl. No. 91 59nai/nan Nair, V.S. and Thermodynamics of ion J. Chem. Soc. 3934 Nancollas, G.H. association. Part 6: Some transition metal sulphates 84nas/cle Nash, K.L., and The thermodynamics of Radiochim. Acta 36 129-134 Cleveland, J.M. plutonium(IV) complexation by fluoride and its effect on plutonium(IV) speciation in natural waters 3 2 8 74nau/ryz Naumov, G.B., Handbook of Thermodynamic Data U.S.G.S. WRD-74-001 p Ryzhenko, B.N., and Khodakovsky, I.L. 44nay Naylor, B.F. High-temperature heat contents Indust. Eng. Chem. 36 933-934 of ferrous and magnesium chromites 45nay Naylor, B.F. Heat contents at high J. Amer. Chem. Soc. 67 150-152 temperatures of magnesium and calcium flourides 69naz/man Nazarenko, V., and Determination of the formation Russ. J. Inoig. 14 639-643 Mandzhgaladze, 0. constants of hydroxo-complexes Chem. of zirconium by the method of competing reactions 60nel/mos Nelson, T., Moss, C. Thermochemistry of potassium J. Phys. Chem. 64 376-377 and Hepler, L. permanganate, potassium molybdate, potassium chlorate, sodium chlorate, sodium chromate and sodium dichromate
B-132 PUBLISHER VOL. PAGES SQUIBB REF AUTHOR TITLE 668-674 Radiokhimiya 13 71mos Moskvin, A. Investigation of the complex formation of trivalent plutonium, americium, and curium in phosphate solutions of Russ. J. Inorg. 24 2449-2457 79mos/poz Moskvin, A., and Coprecipitation study Chem. Poznyakov, A. complex formation by neptunium(V), plutonium(V), and americium(V) with the anions of various inorganic acids Sov. Radiochem. 17 447-449 69mos Moskvin, A.I. Complex formation of the actinides with anions of acids in aqueous solutions Russ. J. Inorg. 15 1756-1757 70mos Moskvin, A.I. Complex formation by plutonium(IV) in sulfate Chem. solutions Russ. J. Inorg. 12 1794-5 67mos/ess Moskvin, A.I., EssEen The formation of thorium(IV) L.N., and complexes in phosphate Chem. Bukhtiyarova, T.N. solutions the Russ. J. Inorg. 3 962-974 58mos/gel Moskvin, A.I., and Determination of Gel'man, A.D. composition and instability Chem. constants of oxalate and carbonate complexes of Pu(IV) of Radiokhim. 4 73-81 62mos/zai Moskvin, A.I., and Hydrolytic behavior Zaitseva, V.P. plutonyl in aqueous solutions and reaction J. Amer. Chem. Soc. 73 5575-5577 51mul/sch Mulder, H.D., and Heats of solution Schmidt, F.C. in liquid Ammonia 5 2 5 5 3 2 of Pr(OH)3, J. Inorg. Nucl. 41 p - 79mul/mil Mullica, D.F., Crystal structures Milligan, W.O., an d Eu(OH)3, and Tm(OH)3 Chem. Beall, G.W.
B-131
K ( ( ( (
SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
76nri Nriagu, J.O. Phosphate-clay mineral Canadian J. Earth 13 717-736 relations in soils and Sci. sediments 57obr/kel O'Brien, C.J., and High temperature heat contents J. Amer. Chem. Soc. 79 5616-5618 Kelley, K.K. of cryolite, anhydrous aluminum fluoride and sodium fluoride 88oha/lew O'Hare, P.A.G., Thermochemistry of uranium LLNL, UCRL-21053 19p Lewis, B.M., and compounds. XVII. Standard Nguyen, S.N. molar enthalpy of formation at 298.15K of dehydrated schoepite U03.0.9H20. Thermodynamics of (schoepite + dehydrated schoepite + water) 72oha O'Hare,P.AG. Thermochemical and theoretical J. Chem. Phys. 56 4514-4516 investigations of the sodium- oxygen system. Part I. The standard enthalpy of formation of sodium oxide (Na2O) 78rob/bar Oberson, C.E., and Stability of fluoride complex Chem. Geol. 21 239-256 Barnes, R.B. with silica and its distribution in natural water systems 67oet Oetting, F.L. The chemical thermodynamic Chem. Rev. 67 261-297 properties of plutonium compounds 76oet/ran Oetting,.F.L., Rand, The chemical thermodynamics of Intl. Atom. Ener. 113p M.H., and Ackerman, actinide elements and Agency, Vienna R.J. compounds. Part I. The actinide elements
B-134 PUBLISHER VOL. PAGES SQUIBB REF AUTHOR TITLE of Econ. Geol. 62 932 -9 56 67new Newberg, D. Geochemical implications chrysocolla-bearing alluvial gravels ions of J. Phys. Chem. 61 934-938 57new/bak Newton, T.W., and Chloride complex Baker, F.B. Pu(VI) Fe(III) Russ. J. Inorg. 22 205-209 77nik/tsv Nikolaeva, N.M., and Complex formation by Chem. Tsvelodub, L.D. with chlorides in aqueous solution at high temperatures study of Russ. J. Inorg. 6 309-312 6lnik/pal Nikolskii, B.P., Oxidation-potential Chem. Palchevskii, V.V., acetate complex formation in and Gorbunova, R.G. the ferric-ferrous system of the standard Cement Concrete Res. 3 625-632 73nik/kho Nikushchenko, V.M., Determination Khotimchenko, V.S., free energies of formation of Rumyantsev, P.F., calcium hydroaluminates and Kalinin, A.I. Geochim. Cosmochim. 41 175-188 Nordstrom, D.K., and Fluorite solubility equilibria 77nor/jen Acta Jenne, E.A. in selected geothermal waters Amer. J. Sci. 272 476-484 72nri Nriagu, J. Solubility equilibrium constant of strengite and ion Geochim. Cosmochim. 36 459-470 72nri 1 Nriagu, J.O. Stability of vivianite pair formation in the system Acta Fe3(PO4)2-H3PO4-H20 I. Inorg. Chem. 11 2499-2503 72nri 2 Nriagu, J.O. Lead orthophosphates. Solubility and hydrolysis of I secondary lead orthophosphate II. Geochim. Cosmochim. 37 367-377 73nri Nriagu, J.0. Lead orthophosphates. Stability of chloropyromorphit Acta e at 25degC IV. Geochim. Cosmochim. 38 887-898 74nri Nriagu, J.0. Lead orthophosphates. Formation and stability in the Acta environment
B-133
( ( ( (
SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
64pan/kel Pankratz, L.B., and High-temperature heat contents U.S. Bur. Mines Rep. 5p Kelley, K.K. and entropies of akermanite, Inv. 6555 cordierite, gehlenite and merwinite 65pan/kin Pankratz, L.B., and High-temperature heat contents U.S. Bur. Mines Rep. 8p King, E.G. and entropies of two zinc Inv. 6708 sulfides and four solid solutions of zinc and iron sulfides 7Opan/kin Pankratz, L.B., and High-temperature enthalpies U.S. Bur. Mines Rep. lop King, E.G. and entropies of chalcopyrite Inv. 7435 and bornite 67pan/wel Pankratz, L.B., and Thermodynamic properties of U.S. Bur. Mines Rep. 13p Weller, W.W. three lithium-aluminum Inv. 7001 silicates 69pan/wel Pankratz, L.B., and Thermodynamic data for ferric U. S. Bur. Mines Rep. 8 Weller, W.W. sulfate and indius sulfate Inv. 7280 71par/wag Parker, V.B., Wagman Selected values of chemical U. S. Natl. Bur. 106 p D.D., and Evans, thermodynamic properties Stds. Tech. Note 270 W.H. 6 76par/wag Parker, V.B., Wagman Selected thermodynamic data U.S. Natl. Bur. 3 4 p D.D., and Garvin, D. compatible with the CODATA Stds. Int. Rep. 75- recommendations 968 78pat/ram Patil, S.K., Aqueous coordination complexes Coord. Chem. Rev. 25 133-171 Ramakrishna, V.V., of neptunium and Ramaniah, M.V. 73pat/raml Patil, S.K., and Study of the sulfate J. Inorg. Nucl. 35 3333-3340 Ramakrishna, V.V. complexing of Np(IV) and Chem. Pu(IV) by solvent extraction with dinonyl naphthalene sulphonic acid
B-136 VOL. PAGES SQUIBB REF AUTHOR TITLE PUBLISHER 14 126-150 60oll Ollin, A. Studies on the hydrolysis of Acta Chem. Scand. metal ions. 25. The hydrolysis of lead(II) in perchiorate medium Nucl. 35 1977-1985 73ols/ome Olson, L.L., and The interactions of Fe(III) J. Inorg. O'Melia, C.R. with Si(OH)4 Chem. Amer. Chem. Soc. 76 857-858 54orr Orr, R.L. High temperature heat contents J. of manganese sesquioxide and vanadium monoxide Phys. Chem. 62 124-125 58orr/dou Orr, R.L., and High temperature heat contents J. Christensen, A.U. of stannous and stannic sulfides Phys. 4 1463-1468 74osb/flo Osborn, D.W., Flotow Heat capacity entropy and J. Chem. H.E., Fried, S.M., enthalpy of 242-PuF3 from 10 and Malm, J.G. to 350K J. Chem. Phys. 63 4613-4617 75osb/flo Osborn, D.W., Flotow Heat capacity, entropy, H.E., Fried, S.M., enthalphy, and gibbs energy of and Maim, J.G. 242-PuF4 from 10 to 350K Electrochem. Soc. 111 88-92 64ott Otto, E.M. Equilibrium pressures of J. oxygen over Mn2O3-Mn3O4 at various temperatures Amer. Chem. Soc. 64 1770-1774 42sou/sho Outhard, J.C., and Heat of formation and high- J, Shomate, H. temperature heat content of manganous oxide and manganous sulfate Nucl. 26 501-507 64owe/may Owens, B.B., and The thermodynamic properties J. Inorg. Mayer, S.W. of uranyl sulphate Chem. ms. 92pal/sil Palmer, C.E.A., Speciation calculations of Pu, Unpub. Silva, R.J., and Np, Am, and U in J-13 water. Miller, C.W. Effects of anions concentration and ph.
B-135 ( ( (
SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
76plu/jon Plummer, L.N., Jones WATEQF - A FORTRAN IV version U.S.G.S. Water 63p B.F., and Truesdell, of WATEQ, a computer program Resources Inv. 76- A.H. for calculating chemical 13. equilibrium of natural waters 82plu/bus Plummer, L.N., and The solubilities of calcite, Geochim. Cosmochim. 46 1011-1040 Busenberg, E. aragonite, and vaterite in C02 Acta I H20 solutions between 0 and 90degC and an evaluation of the aqueous model of the system CaCO3-C02-H20 68po/sut Po, H.N., and Sutin, The stability constant of the Inorg. Chem. 7 621-624 N. monochloro complex of iron(II) 94pok/hel Pokrovskii, V.A., Thermodynamic properties of Amer. J. Sci. 294 (in press) and Helgeson, H.C. aqueous species and the solubilities of minerals at high pressures and temperatures: The system A1203 H20-NaCl 74pou Pourbaix, M., de Lead (Ch. IV, Sec. 17-5), in, 485 -4 92 Zoubov, N., Atlas of electrochemical Vanleugenhaghe, C., equilibria in aqueous and Van Rysselberghe solutions P. 84rai Rai, D. Solubility product of Pu(IV) Radiochim. Acta, 35 97-106 hydrous oxide and equilibrium constants of Pu(IV)/Pu(V), . Pu(IT)/Pu(VI), and Pu(V)/Pu(VI) couples 81rai/rya Rai, D., and Ryan, Crystallinity and solubility PNL 4p J.L. of Pu(IV) oxide and hydroxide in aged aqueous suspensions
B-138 VOL. PAGES SQUIBB REF AUTHOR TITLE PUBLISHER 27-30 73pat/ram2 Patil, S.K., and Studies on the sulfate Radiochim. Acta 19 Ramakrishna, V.V. complexing of tetravalent actinides 38 1075-1078 76pat/ram Patil, S.K., and Sulphate and fluoride J. Inorg. Nucl. Ramakrishna, V.V. complexing of U(VI), Np(VI), Chem. . and Pu(VI) J. Matls. Sci. 12 2246-2268 77pau Paul, A. Chemical durability of glasses a thermodynamic approach Soc. 3644-3648 64per Perrin, D.D. The hydrolysis of metal ions. J. Chem. Part 4. Nickel Analyt. Chem. 53 1039-1043 8lpet/mil Pettine, M., Millero Hydrolysis of tin(II) in F.J., and Macchi, G. aqueous solutions LBL Rep. LBL-14313 65p 82phi Phillips, S.L. Hydrolysis and formation constants at 25degC J. Amer. Chem. Soc. 59 2365-2371 37pit Pitzer, K.S. The heats of ionization of water, ammonium hydroxide, carbonic, phosphoric and sulfuric acids. The variations in ionization with temperature and entropy change with ionization J. Phys. Chem. 77 268-277 73pit Pitzer, K.S. Thermodynamics of electrolytes. I. Theoretical basis and general equations Mineral. Soc. Amer., 17 97-142 87pit Pitzer, K.S. Thermodynamic model for aqueous solutions of liquid- Washington like density, in Carmichael, I.S.E., and Eugster, H.P., eds., Thermodynamic Modeling of Geologic Materials: Minerals, Fluids, and Melts: Rev. Mineral., vol. 17
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( ( (. ( ( (
PUBLISHER VOL. PAGES SQUIBB REF AUTHOR TITLE in Geochim. Cosmochim. 43 1313 -1325 79ric/hol Richardson, C.K., The solubility of fluorite and Holland, H.D. hydrothermal solutions, an Acta experimental study Compt. Rend. 265 541-543 67ric/laf Richelmi, R., and Analyse enthalpique Laffitte, M. differentielle de l'anhydride chromique par microcalorimetri e Elsevier, New York 219-284 78ric/nri Rickard, D.T., and Aqueous environmental Nriagu, J.O. chemistry of lead, in Nriagu, J.O., ed., The Biochemistry of Lead in the Environment Van Nostrand 74rob/rap Roberts, W.L., Rapp, Encyclopedia of Minerals New York jr., G.R., and Weber Reinhold, J. energies of U.S.G.S. Prof. Paper 65-72 65rob Robie, R.A. Heats and free formation of troilite, 525-d herzenbergite, magnesite, and rhodochrosite calculated from equilibrium data U.S.G.S. Bull. 1248 87p 67rob/bet Robie, R.A., Bethke, Selected x-ray crystallographi P.M., and Beardsley, c data, molar volumes, and K.M. densities of minerals and related substances Geochim. Cosmochim. 51 2219-2224 87rob/bin Robie, R.A., Bin, Z. Heat capacity and Acta Hemingway, B.S., and thermodynamic properties of Barton, M.D. andradite garnet, Ca3Fe2Si3Ol2 between 10 and 1000K and revised values for hedenbergite and wollastonite of U.S.G.S. Bull. 1452 78rob/hem Robie, R.A., Thermodynamic properties Hemingway, B.S., and minerals and related Fisher, J.R. substances at 298.15K and 1 bar (10(5) Pascals) pressure and at higher temperatures
B-140 SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
63ran/kub Rand, M.H., and The thermochemical properties Wiley-Interscience, 65-68 Kubaschewski, 0. of uranium compounds New York 66ran Rand, R.H. Thermochemical properties Atom. Ener. Rev.4, 1 7 Spec. Iss. 83rar Rard, J.A. Critical review of the LLNL, UCRL-53440 86p chemistry and thermodynamics of technetium and some of its inorganic compounds and aqueous species 84rar Rard, J.A. Errata sheet to UCRL-53440 Unpub. note lp 85rar 1 Rard, J.A. Chemistry and thermodynamics Chem. Rev. 85 1-39 of ruthenium and some of its inorganic compounds and aqueous species 85rar 2 Rard, J.A. Chemistry and thermodynamics Chem. Rev. 85 555-582 of europium and some of its simpler inorganic compounds and aqueous species 87rar 1 Rard, J.A. Thermodynamic data bases for Proc. Intl. Conf. 28p multivalent elements: An Thermo. Aq. Sys. example for ruthenium Indus. Appl., Warrenton, VA 87rar 2 Rard, J.A. Update of the europium data LLNL Internal Memo base, October, 1987 83rea Reardon, E.J. Determination of SrSO4 ion Geochim. Cosnochim. 47 1917-1922 pair formation using Acta conductimetric and ion exchange techniques 87rea/arm Reardon, E.J., and Celestite(SrSO4(s)) solubility Geochim. Cosmochim. 51 63-72 Armstrong, D.K. in water, seawater and NaCl Acta solution
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VOL. PAGES SQUIBB REF AUTHOR TITLE PUBLISHER 61 161-168 76sch/ver Schuiling, R., Gibbs energies of formation of Amer. Mineral. Vergouwen, L., and zircon (ZrSiO4), thorite van der Rijst, H. (ThSiO4) and phenacite (Be2SiO4) Cosmochim. 57 3835-3846 93sch/sho Schulte, M.D., and Aldehydes in hydrothermal Geochim. Shock, E.L. solution: Standard partial Acta molal thermodynamic properties and relative stabilities at high temperatures and pressures 7 846-859 69ser/kho Sergeyeva, E.I., and Physicochemical conditions of Geokhim. Khodakovskiy, I.L. formation of native arsenic in hydrothermal deposits Cosmochim. 38 1651-1664 74sew Seward, T.M. Determination of the first Geochim. ionization constant of silicic Acta acid from quartz solubility in borate buffer solutions to 350degC Geochim. Cosmochim. 40 1329-1341 76sew Seward, T.M. The stability of chloride complexes of silver in Acta hydrothermal solutions up to 35OdegC Cosmochim. 48 121-134 84sew Seward, T.M. The formation of lead(II) Geochim. chloride complexes to 300degC: Acta A spectrophotometric study Radiokhimiya 14 290-293 72sha/ste Shalinets, A., and Investigation of complex Stepanovi A. formation of the trivalent actinide and lanthanide elements by the method of electromigration. XVII. Hydrolysis
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79rob/hem Robie, R.A., Thermodynamic properties of U.S.G.S. Bull. 1452 1452 1456p Hemingway, B.S., and minerals and related (with corrections) Fisher, J.R. substances at 298.15K and 1 bar (10**5 Pascals) pressure and at higher temperatures 4Orot/wir Roth, W., Wirths, G. Zentralblatt fur mineralogie, Z. Mineral. Geol. 11 225-227 and Berendt, H. geologie und palaontologie 87rua/sew Ruaya, J.R., and The ion-pair constant and Geochim. Cosmochim. 51 121-130 Seward, T.M. other thermodynamic properties Acta of HCl up to 350degC 83rya/rai Ryan, J.L., and Rai, The solubility of uranium(IV) Polyhedron 2 947-952 D. hydrous oxide in sodium hydroxide solutions and under reducing conditions 82sar/bar Sarkar, A.K., Barnes Longevity of borehole and ONWI Tech. Rep. ONWI 52p M.W., and Roy, D.M. shaft sealing materials: 201 thermodynamic properties of cements and related phases applied to repository sealing 63sch/teb Schafer, V.H., Equilibria with Ru, RuO2, Z. Anorg. Allg. 321 41-55 Tebben, A., and RuO3(g), and RuO4(g) Chem. Gerhardt, W. 71sch Schedin, U. On the hydrolysis of plutonyl Acta Chem. Scand. 25 747-749 ion in sodium perchlorate medium 75sch Schedin, U. Studies on the hydrolysis of Acta Chem. Scand. 29 333-344 metal ions. 62. The plutonyl ion in sodium perchlorate medium 63sch/rei Schindler, P., Zur thermodynamik der Helv. Chim. Acta 51 1845-1856 Reinert, M., and Metallcarbonate. Gamsjager, H. Loslichkeitskonstanten and freie buldungsenthalpien von Cu2(OH)2C03(malachit) undCu3(OH)2(C03)2 (azuirt) bei 25 C
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SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES
89sho/hell Shock, E.L., and Calculation of the Geochim. Cosmochim. 54 915-945 Helgeson, H.C. thermodynamic and transport Acta . properties of aqueous species at high pressures and temperatures: Standard partial molal properties of organic species 89sho/hel2 Shock, E.L., and Corrections to Shock and Geochim. Cosmochim. 53 215 Helgeson, H.C. Helgeson (1988) Acta 93sho/kor Shock, E.L., and Metal-organic complexes in Geochim. Cosmochim. 57 4899-4922 Koretsky, C.M. geochemical processes: Acta Calculation of standard partial molal thermodynamic properties of aqueous acetate complexes at high pressures and temperatures 93sho/mck Shock, E.L., and Hydrothermal processing of Icarus 106 464-477 McKinnon, W.B. cometary volatiles-- Applications to Triton J. Amer. Chem. Soc. 44sho Shomate, C.H. High-temperature heat contents 66 928-929 of magnesium nitrate, calcium nitrite and barium nitrate J. Amer. Chem. Soc. 45sho/nay Shomate, C.H., and High-temperature heat contents 67 72-75 Naylor, B.F. of aluminum oxide, aluminum sulfate, potassium sulfate, ammonium sulfate and ammonium bisulfate 64sil/mar Sillen, L.G.; and .Stability constants of metal- Chem. Soc. Spec. Martell, A.E. ion complexes Pub. 17, London 71sil/mar. Sillen, L.G., and Stability constants of metal- Chem. Soc. Spec. Martell, A.E. ion complexes, supplement no. Pub. 25, London 1
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63shc Shchigol, M. Properties of lead borates Russ. J. Inorg. 8 707-712 Chem. 87she/chu Sheka, I.A., The hydrolysis of carbonate Russ. J. Inorg. 32 1576-1582 Chumakova, L.S., complexes of zirconium and Chem. Malinko, L.A., hafnium in sulphate-carbonate Koshel, A.V., and solutions Antishko, A.N. 59she/tim Shevchenko, V.B., Stability constants of nitrate Sov. J. Atom. Ener. 6 293-296 Timoshev, V.G., and complexes of trivalent Volkova, A.A. plutonium in aqueous and tributyl phosphate solutions 69shi/giv Shiloh, M., Givon, A spectrophotometric study of J. Inorg. Nucl. 31 1807-1814 M., and Marcus, Y, the trivalent actinide Chem. complexes in solution. III. Americium with bromide, iodide nitrate and carbonate ligands 90sho Shock, E.L. [no title] Pers. calc., Univ. Cal., Berkeley, CA 3481-3491 92sho Shock, E.L. Stability of peptides in high Geochim. Cosmochim. 56 temperature aqueous solutions Acta 3341-3349 93sho Shock, E.L. Hydrothermal dehydration of Geochim. Cosmochim. 57 aqueous organic compounds Acta 89sho/hel Shock, E.L., Calculation of the Geochim. Cosmochim. 53 2157-2183 Helgeson, H.C., and thermodynamic and transport Acta Sverjensky,.D.A. properties of aqueous species at high pressures and temperatures: Standard partial molal properties of inorganic neutral species 88sho/hel Shock, E.L., and Calculation of the Geochim. Cosmochim. 52 2009-2036 Helgeson, H.C. thermodynamic and transport Acta properties of aqueous species at high pressures and temperatures: Correlation algorithms for ionic species and equation of state predictions to 5kb and 1000degC
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SQUIBB REF AUTHOR TITLE PUBLISHER VOl PAGES . 81sto/smi Stohl, F.V., and The crystal chemistry of the Amer. Mineral. 66 610-624 Smith, D.K. uranyl silicate minerals 81str/ten Strunz, H., and Symmetry and twinning in Sov. Phys. Cryst. 26 (6 732-735 Tennyson, C. boltwoodite 70stu/hil Stull, D.R., Low themperature heat J. Chem. Eng. Data 15 52-56 Hildenbran, L., capacities of 15 inorganic Oetting, F.L., and compounds Sinke, G.C. 82sul/woo Sullivan, J.C., Thermodynamics of Radiochim. Acta 31 45-50 Woods, M., Bertrand, plutonium(VI) interaction with P.A., and Choppin, bicarbonate G.R. 84sve Sverjensky, D.A. Prediction of gibbs free Geochim. Cosmochim. 48 1127-1134 energies of calcite type Acta carbonates and the equilibrium distribution of trace elements between carbonates and aqueous solutions 87sve Sverjensky, D.A. Calculations of the Mineral. Soc. Amer., 17 177-209 thermodynamic properties of Rev. Mineral. aqueous species and the solubilities of minerals in supercritical electrolyte solutions, in Carmichael, I.S.E., and Eugster, H.P., eds., Thermodynamic Modeling of Geologic Materials: Minerals, Fluids and Melts 70swe/bae Sweeton, F.H!, and The solubility of magnetite J. Chem. Thermo. 2 479-500 Baes, C.F., jr. and hydrolysis of ferrous ion in aqueous solutions at elevated temperatures
B-146 PUBLISHER VOL. PAGES SQUIBB REF AUTHOR TITLE of LBL Rep. LBL-15055 57p 82sil Silva, R.J. The solubilities crystalline neodymium and americium trihydroxides properties of Unpub. note 83sil/nit Silva, R.J., and Thermodynamic Nitsche, H. chemical species of waste radionuclides of Amer. Chem. Soc. lp Silva, R.J., and Carbonate complexation 85sil/nit 189th Natl. Mtg., Nitsche, H. Pu(IV) in aqueous solution [abstract] Miami 257p Stability Constants, Plenum, New York 4 76smi/mar Smith, R.M., and Critical Martell, A.E. Vol. 4: Inorganic Complexes and cation Allen Unwin, Boston 88smy/bis Smyth, J.R., and Crystal structures Bish, D.L. sites of the rock-forming minerals Coll. Czech. Chem. 26 2754-2773 Sommer, L., and Iron(III) acetate complexes 61som/pli Comm. Pliska, K. 3142-3150 calorimeter for J. Amer. Chem. Soc. 63 41sou Southard, J.C. A modified high temperatures. The heat content of silica, wollastonite and thorium dioride above 25degC 1769-1770 temperature heat content J. Amer. Chem. Soc. 64 42sou/moo Southard, J.C., and High Mn3C Moore, G.E. of Mn3O4, MnSiO3 and properties of Natl. Phys. Lab., 37p 71spe Spencer, P.J. Thermodynamic alkali metal alloys Div. Chem. Stds. 35p thermodynamic properties Natl. Phys. Lab., 73spe Spencer, P.J. The of silicates Div. Chem. Stds. sulfide Geochim. Cosmochim. 53 2185-2194 Spycher, N.F., and As(III) and Sb(III) 89spy/ree of Acta Reed, M.A. .complexes: An evaluation stoichiometry from existing experimental data
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VOL. PAGES SQUIBB REF AUTHOR TITLE PUBLISHER 415-442 J. Soln. Chem. 9 80tre/leb Tremaine, P.R., and The solubility of magnetite Leblanc, J.C. and the hydrolysis and oxidation of Fe++ in water to 300degC Unpub..Ph.D. Diss., 297p 84tri Tripathi, V.S. Uranium(VI) transport modeling: Geochemical data and Stanford Univ., submodels Stanford, CA for U.S.G.S. J. Res. 2 233-248 74tru/jon Truesdell, A.H., and WATEQ, a computer program Jones, B.F. calculating chemical equilbria of natural waters Suomen Kem. B 44 222-228 71tum Tummavuori, J. Spectrophotometric determination of the stability constants of complexes formed by copper(II) and nitrite ions in sodium perchlorate solutions at 25degC J. Phys. Chem. 65 1652-1961 6ltur Turnbull, A. Thermochemistry of zirconium halides of Geochim. Cosmochim. 37 1593-1601 73tur Turnbull, A.G. A thermochemical study vaterite Acta of Geochim. Cosmochim. 45 855-881 8ltur/whi Turner, D.R., The equilibrium speciation Whitfield, M., and dissolved components in Acta Dickson, A.G. freshwater and seawater at 25degC and 1 atm pressure of Radiochim. Acta 40 179-184 86ull/sch Ullman, W.J., and Calorimetric determination F. the enthalpies of U(VI)-, Schreiner, 2 4 Np(VI)-, and Pu(VI)-SO- complexes in aqueous solution at 25degC Ni+2, in 3m Acta Chem. Scand. 19 14-29 65bur/lil Urkov, K.A., Lilic, The nickel ion, L.S., and Sillen, (Na)Cl04 medium L.G.
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52syk Sykes, K.W. The reaction between ferric J. Amer. Chem. Soc. 1952 124 -129 and iodide ions, Part II. The influence of ionic association 79syl/dav Sylva, R.N., and The hydrolysis of metal ions. J. Chem. Soc. Dalton 465-471 Davidson, M.R. Part 2. Dioxouranium(VI) Trans.. 87tas/oha Tasker, I.R., O'Hare Thermochemistry of uranium LLNL, UCRL-21055 '17p P.A.G., Lewis, B.M., compounds. XVI. Calorimetric Johnson, G.K., and determination of the standard Cordfunke, E.H.P. molar enthalpy of formation at 298.15K, low temperature heat capacity, and high-temperature enthalpy increments of U02(OH)2.H20 (Schoepite) 62tay/smi Taylor, A.R., jr., Thermodynamic properties of U.S. Bur. Mines 12p and Smith, D.F. strontium bromide and Dept. Inv. 5967 strontium nitrate 67ter/rat Terpilowski, J., and Wlasnosci thermodynamiczne Roczn. Chem. 41 429-432 Ratajczak, E. selenku cynku 51tod Todd, S.S. Low-temperature heat J. Amer. Chem. Soc. 73 3277-3278 capacities and entropies at 298.16K of crystalline calcium orthosilicate, zinc orthosilicate and tricalcium silicate 69tor/sho Torgeson, D., and Heats of formation of J. Amer. Chem. Soc. 69 2103-2105 Shomate, C. 3CaO.B203, 2CaO.B203, CaO.B203 and CaO.B203 8ltre/che Tremaine, P.R., Chen Solubility of uranium(IV) J. Soln. Chem. 10 221-230 J.D., Wallace, G.J., oxide in alkaline aqueous and Boivin, W.A. solutions to 300degC
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VOL. PAGES SQUIBB REF AUTHOR TITLE PUBLISHER 15 2 p 6 9wag/eva Wagman, D.D., Evans, Selected values of chemical U.S. Natl. Bur. Note 270 W.H., Parker, V.B., thermodynamic properties, Stds. Tech. Halow, I., Bailey, tables for elements 35 through 4 S.M., and Schumm, 53 R.H. 264 p 6Bwag/eva Wagman, D.D., Evans, Selected values of chemical U.S. Natl. Bur. 270 W.H., Parker, V.B., thermodynamic properties Stds. Tech. Note Halow, I., Bailey, 3 S.M., and Shumm, R.H. Ref. 392p 82wag/eva Wagman, D.D., Evans, The NBS tables of chemical J. Phys. Chem. supp. 2 W.H., Parker, V.B., thermodynamic properties, Data, V. 11, Schumm, R.H., Halow, selected values for inorganic I., Bailey, S.M., and cl and c2 organic Churney, K.L., and substances in SI units Nuttall, R.L. Bur. 134p 8lwag/eva Wagman, D.D., Evans, Selected values of chemical U.S. Natl. Note 270 W.H., Parker, V.B., thermodynamic properties. Stds. Tech. Schumm, R.H., and Compounds of uranium, 8 Nuttall, R. protactinium, thorium, actinium, and the alkali metals U.S. Natl. Bur. 93 77wag/sch Wagman, D.D., Schumm A computer assisted evaluation Rep. 77- R.H., and Parker, of the thermochemical data of Stds. Int. V.B. compounds of thorium 1300 J. Phys. Chem. 66 1546-1549 62wal/art Walsh, P.N., Art, The heat capacity of the E.W., and White, D. silver chalcogenides. Agl.99S, Agl.99Se, and Agl.88Te from 16 to 300K data OECD NEA Data Bank, 1-11 88wan 1 Wanner, H. The NEA thermochemical base project F-91191, Gif-sur- Yvette, France
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78vas/bag Vasudevarao, P.R., Sulfate complexing of some J. Inorg. Nucl. 40 123 -127 Bagawde, S.V., trivalent actinides Chem. Ramakrishna, V.V., and Patil, S.K. 78vau/cra Vaughan, D.J., and Mineral chemistry of metal Cambridge Univ. Craig, J.R. sulfides Press, Cambridge, MA 61vic/dou Victor, A.C., and Thermodynamic properties of U.S. Natl. Bur. 65a 105-111 Douglas, T.B. thorium dioxide from 298 to Stds. J. Res. 1200K 63vic/dou Victor, A.C., and Thermodynamic properties of U.S. Natl. Bur. 67a 325-329 Douglas, T.B. magnesium oxide and beryllium Stds. J. Res. oxide from 298 to 1200K 75vol/yag Volkov, A.I., Yaglov Heats of formation of cobalt Vesti. Akad. Navuk. 124-125 V.N., and Novikov, and nickel orthophosphates B. SSSR. Ser. Khim. G.I. octahydrides Navuk. 70vor Voronon, G.F. Estimation of standard Russ. Phys. Chem. 44 1717-1719 entropies of chemical compounds 76wag/par Wagman, D., Parker, Chemical thermodynamic U.S. Natl. Bur. 76 W., and Schumm, R. properties of compounds of Stds. sodium, potassium and rubidium 76wag/eva Wagman, D.D, Evans, Chemical thermodynamic U.S. Natl. Bur. W.H., Parker, V.B., properties of compounds of Stds. Int. Rep. 76- and SchuDm, R.H. sodium, potassium and 1034 rubidium: An interim tabulation of selected values 71wag/eva Wagman, D.D., Evans, Selected values of chemical U.S. Natl. Bur. 12-21 W.H., Parker, V.B., thermodynamic properties Stds. Tech. Note 270 Halow, I., Bailey, 5 S.M., SchuDm, R.H., and Churney, K.L.
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SQUIBB REF AUTHOR TITLE PUBLISHER VOL. PAGES 63wil Willix, R.L.S. Ferrous-ferric redox reaction J. Chem. Soc. 59' 1315-1324 in the presence of sulphate Faraday Trans. ion 78wol Wolery, T.J. Some chemical aspects of Unpub. Ph.D. Diss., 263p hydrothermal processes at mid- Northwestern Univ., oceanic ridges -- A Evaston, IL theoretical study. I. Basalt- sea water reaction and chemical cycling between the oceanic crust and the oceans. II. Calculation of chemical equilibrium between aqueous solutions and minerals 85wol Wolery, T.J. Notes Personal Written 23p Communication 87woo/gar Woods, T.L., and Thermodynamic values at low Oxford Univ. Press, Garrels, R.M. temperature for natural Oxford inorganic materials: An uncritical summary 79zot/kot Zotov, A.V.,.and Spectroscopic determination of Geokhim. 5 768-773 Kotova, Z.Y. the first hydrolysis constant of Fe+++ in the interval 80- 200degC
B-152 PUBLISHER VOL. PAGES SQUIBB REF AUTHOR TITLE Wanner, H-. the review OECD NEA Data Bank, 1-5 88wan 2 Wanner, H. Guidelines for procedure and data selection F-91191, Gif-sur- Yvette, France I 1-14 for the assignment OECD NEA Data Bank, 88wan 3 Wanner, H. Guidelines of uncertainties F-91191, Gif-sur- Yvette, France complexes of J. Inorg. Nucl. 2 95-402 56war/wel Ward, M., and Welch, The chloride americium Chem. G. trivalent plutonium, and curium CRC Press, Boca (ed.) CRC Handbook of Chemistry and 90crc Weast, R.C. ed. Physics Raton, FL, 70th heat U.S. Bur. Mines Rep. 7p Weller, W.W., and Low-temperature 64wel/kel at Inv. 6511 Kelley, K.K. capacities and entropies 298.15K of sulfides of arsenic germanium and nickel 2741-2743 of Feaq2+ and FeClaq+ J. Chem. Soc. A 69wel Wells, C.F. Reaction with hydrogen peroxide in perchlorate media at 25degC and J. Amer. Chem. Soc. 79 1799-1802 Westrum, E.F., and Heat capacities 57wes/gre fo Grenier, G.J. thermodynamic properties crystalline and vitreous anhydrous sodium tetraborate from 6 to 350K 3-37 thermodynamics of the Intl. Atom. Ener. 62wes/gro Westrum, E.F., and Chemical chalcogenides Agency, Vienna Gronvold, F. actipide element proceedings of the symposium on thermodynamics of nuclear materials of J. Less-Common 24 73-81 Wildervanck, J.C., The dichalcogenides 71wil/jel Metals and Jellinek, F. technetium and rhenium
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GEMBOCES MODIFICATIONS AND ADDITIONS: 2nd QUARTER, FY 1994
During the second quarter of FY 1994, efforts were focused on completing development of two major software projects, augmenting GEMBOC-HS with additional thermodynamic data, expanding the suite of datafiles generated for use with EQ3/6, and improving user access to EQ3/6 datafiles, which are described in the following paragraphs. During the past year, considerable effort was devoted toward development of two critical software interfaces with GEMBOCHS. The first of these is the jewel program, a mouse-driven utility that facilitates point-and-click generation of thermodynamic datafiles for use with EQ3/6 (and other analogous modeling packages). More specifically, jewel reads reference-state and various coefficient data for a user-specific subset of GEMBOCHS species, extrapolates these data over the P-T range of interest using a variety of theoretical and empirical models, and outputs the requisite elevated P-T properties in a format suitable as input for various target modeling codes. Jewel can be used to generate a number of standard datafiles; more important is the program's extreme flexibility, which permits generation of customized datafiles based on major datasets, species subsets, bulk system composition, or any combination thereof. The jewel interface represents a dramatic improvement in both versatility and ease-of-use over its relatively inflexible, batch-mode predecessor. The code has been used and refined extensively over the past few months, and a user's manual is in the process of being completed. The second interface under development is facet, another mouse- driven utility that permits review, revision, deletion, and addition of GEMBOCHS data. All updates to GEMBOCHS are incorporated using facet, which provides an auditing capability that explicitly documents all database modifications. Like jewel, facet represents a tremendous improvement over its predecessor, which required function-key navigation through a labyrinth of on-screen menus. Also in analogy with jewel, the facet development effort, including the documentation, is nearing completion and will be available in the near future. Recently, facet was used to upload reference-state standard molal thermodynamic data and equation-of-state parameters for a large number of aqueous species, including aqueous peptides, aldehydes, and metal acetate complexes (Shock, 1992, 1993; Schultz and Shock, 1993; Shock and Koretsky, 1993; Shock and McKinnon, 1993). These data improve significantly the ability to model aqueous organic/inorganic systems.
C-1 Also, a sixth member has been added to the standard suite of thermodynamic datafiles provided for use with EQ3/6. The new file, dataO.alt, represents an alternate composite database in which aqueous Np, Pu, and Am species are represented exclusively by the compilation of reference-state dissociation constants given by Palmer et al. (1992). Otherwise, the file is identical to the composite datafile, dataO.com, in which a smaller set of aqueous Np, Pu, and Am species is represented by data from a variety of published sources.
In an attempt to improve user accessibility to newly revised suites of GEMBOCHS datafiles for use with EQ3/6, an "anonymous" machine. ftp account has recently been established on a local This account permits off-site EQ3/6 users to-keep abreast of recent GEMBOCHS updates and to acquire the latest suites of EQ3/6 datafiles in timely fashion via electronic transfer. The R23 suite will be the first available via the "anonymous" account, sometime during April 1994. At that time, interested parties will be informed as to the particulars of remote access procedures.
C-2 A - = -J APPENDIX D
GENISES ADDITIONS: 2nd QUARTER, FY 1994
DATA mnprymTnf un neMar T'RRM nDWQ0TVPTnW SAGA ZAA^ -p -V - - -AJ-s -E - - -o - -
LA000000000051.001 LONG-TERM THERMAL STABILITY OF CLINOPTILOLITE: THE DEVELOPMENT OF A B PHASE
TM000000000001.037 METEOROLOGICAL MONITORING PROGRAM SUMMARY REPORT DECEMBER 1985 THROUGH DECEMBER 1991 (YMP/93-12-MMPSR)
GS920483117412.014 SEISMICITY AND FOCAL MECHANISMS FOR THE SOUTHERN GREAT BASIN OF NEVADA AND CALIFORNIA IN 1990 (USGS OFR 92-367)
GS920783117412.022 SEISMICITY AND FOCAL MECHANISMS FOR THE SOUTHERN GREAT BASIN OF NEVADA AND CALIFORNIA IN 1991 (USGS OFR 92-340)
GS920983117412.032 SEISMICITY AND FOCAL MECHANISMS FOR THE SOUTHERN GREAT BASIN OF NEVADA AND CALIFORNIA: 1987 THROUGH 1989 (USGS OFR 91- 572)
GS910808312232.002 BOREHOLE AND GEOHYDROLOGIC DATA FOR TEST HOLE USW UZ-6, YUCCA MOUNTAIN AREA, NYE COUNTY, NEVADA (USGS OFR 92-28)
GS930731174101.003 1983-1988 LEVELING RESULTS, 1983-1988 QUADRILATERAL RESULTS AND VARIOUS EARLIER DATA
GS920508314212.005 PRINCIPAL FACTS FOR 16,000 GRAVITY STATIONS IN THE NEVADA TEST SITE AND VICINITY (USGS OFR 89-682 A, B, &C)
GS920108314213.001 GEOPHYSICAL AND CORE MEASUREMENTS FROM FORTY BOREHOLES AT YUCCA MOUNTAIN
GS930208318523.001 TEMPERATURE, THERMAL CONDUCTIVITY, AND HEAT FLOW NEAR YUCCA MOUNTAIN, NEVADA: SOME TECTONIC AND HYDROLOGIC IMPLICATIONS (USGS OFR 87-649)
D-1 rAM'- ^ Tod cms.T^ DATA TRACKING MU.UJtJ.LA J L ZWA r V
GS930908314214.006 GEOLOGICAL AND MINERALOGICAL CONTROLS ON PHYSICAL PROPERTIES OF TUFFS AT YUCCA MOUNTAIN
GS930908314214.007 BULK POROSITY IN LITHOPHYSAL ZONES ABOVE THE STATIC WATER LEVEL AT YUCCA MOUNTAIN, NEVADA, CALCULATED FROM BOREHOLE GRAVITY AND GAMMA- GAMMA DENSITY LOGS
D-2