DOCSLIB.ORG

P1-438-TR Composition of Trace Components In

Total Page：16

File Type：pdf, Size：1020Kb

Download full-text PDF Read full-text
P1-438-TR Composition of Trace Components In Investigation of the Composition and Emissions of Trace Components in Landfill Gas R&D Technical Report P1-438/TR T. Parker, J. Dottridge, and S. Kelly Research Contractor: Komex . Publishing Organisation Environment Agency, Rio House, Waterside Drive, Aztec West, Almondsbury, BRISTOL, BS32 4UD Tel: 01454 624400 Fax: 01454 624409 Website: www.environment-agency.gov.uk Environment Agency 2002 ISBN: 1 84432 018 9 All rights reserved. No parts of this document may be reproduced, stored in a retrieval system, or transmitted, in any form or by any other means, electronic, mechanical, photocopying, recording or otherwise without the prior permission of the Environment Agency. The views expressed in this document are not necessarily those of the Environment Agency. Its officers, servants or agents accept no liability whatsoever for any loss or damage arising from the interpretation or use of the information, or reliance on views contained herein. Dissemination Status Internal: Released to Regions External: Public Domain Statement of Use This research & development report is one of a series relating to the management of landfill gas. It underpins work to develop guidance for measuring the composition and concentraion of trace components in landfill gas at permitted or licensed landfill sites in England and Wales. Further research in being undertaken as part of R&D Project P1- 491 ‘Quantification of trace comonents in landfill gas’. Keywords Trace components, landfill gas, monitoring, emissions, health effects, odour, prioritisation. Research Contractor This document was produced under R&D Project P1-438 by: Komex, 129 Cumberland Road, Bristol, BS1 6UY Tel: 0117 925 1304 web: www.komex.com Komex were supported by G. Apps, and J. Cox of Harwell Scientifics for analytical techniques. Environment Agency Project Manager The Environment Agency’s Project Manager for R&D Project P1-438 was: Alan Rosevear, Thames Region. CONTENTS Abbreviations Executive Summary 1 INTRODUCTION 1 1.1 Background to the project 1 1.2 Objectives 1 1.3 Report contents 1 1.4 Issues associated with trace components in landfill gas 2 1.5 Potential sources of trace components 2 2 PUBLISHED DATA 5 2.1 UK research until 1988 5 2.1.1 Trace component data 5 2.1.2 Trace component odour data 7 2.2 Post-1988 UK research 8 2.2.1 Trace component data 8 2.2.2 Trace component odour data 9 2.2.3 Monitoring methods 9 2.2.4 Treatment prior to use in landfill gas engines 9 2.2.5 Landfill gas migration in the subsurface 10 2.2.6 Human health and ecological risk assessment 10 2.2.7 Leachate and landfill gas 11 2.3 European research 11 2.3.1 Landfill gas data 11 2.3.2 Trace component odour data 12 2.3.3 On-site health impacts 12 2.3.4 Leachate and landfill gas 12 2.4 North American research 12 2.4.1 Landfill gas data 13 2.4.2 Trace component odour data 14 2.4.3 Ambient air concentrations 15 2.4.4 Particulate emissions 15 2.4.5 Human health 16 2.4.6 Monitoring methods 16 2.4.7 Emissions 17 2.5 Japanese research 19 3 RELEVANCE OF PUBLISHED DATA 21 4 ASSESSING VALUES OF PUBLISHED DATA 23 4.1 Data Assessment 23 4.1.1 Type of waste 23 4.1.2 Age of waste/Stage of waste degradation 27 4.1.3 Analytical methods used 27 4.1.4 Moisture content of landfill 28 4.1.5 Site location 28 4.2 Data quality matrix 29 5 SITE SPECIFIC STUDY 31 R&D TECHNICAL REPORT P1-438/TR i 6 DATABASE 33 6.1 Data sources 33 6.1.1 Operator data 33 6.1.2 Research data 33 6.2 Database structure 33 6.3 Development 34 6.4 Database data worth 35 6.4.1 Type of waste 35 6.4.2 Age of waste/Stage of waste degradation 36 6.4.3 Analytical methods 36 6.4.4 Moisture content of landfill 37 6.4.5 Site location 37 6.5 Data quality matrix 37 6.6 Repository of data 37 7 POTENTIAL TOXICITY IMPORTANCE MATRIX 39 7.1 Rationale 39 7.2 Toxicity ranking methodology 40 7.2.1 Reference concentration rating 40 7.2.2 Safety factor ranking 42 7.3 Physical property ranking methodology 43 7.4 Results 45 8 POTENTIAL ODOUR IMPORTANCE MATRIX 47 8.1 Rationale 47 8.2 Odour ranking methodology 47 8.3 Results 48 9 TRACE COMPONENT CONCENTRATIONS 49 9.1 Use of median versus average concentrations 50 9.2 Amount of data 52 9.3 Chemical group results 523 10 TRACE COMPONENT PRIORITISATION 55 10.1 Prioritising components with a potential for health impact 55 10.2 Prioritising components with a potential for odour impact 57 10.3 Sensitivity analysis 58 10.4 Detection limits 61 10.5 Omission analysis 62 11 POTENTIAL SYNERGY 63 11.1 Other effects 63 12 METHODS TO MONITOR EMISSIONS OF PRIORITY COMPONENTS 65 12.1 Real time analysis 65 12.2 Laboratory methods 66 12.3 VOC sample collection 67 12.3.1 Tedlar bag sampling 67 12.3.2 Summa canister 68 12.3.3 Thermal desorption tube 68 12.4 Methanal sampling and analysis 69 12.5 Hydrogen sulphide sampling and analysis 70 12.6 Metals sampling and analysis 70 12.6.1 Arsenic 70 12.6.2 Mercury 71 R&D TECHNICAL REPORT P1-438/TR ii 12.7 Summary of analytical methods selection 71 12.8 New developments 72 13 TREATMENT METHODS TO REDUCE EMISSIONS 75 13.1 Reduction/Control 75 13.2 Pre-treatment 76 13.2.1 Water removal 77 13.2.2 Particulate removal 77 13.2.3 Pre-treatment emission reduction 78 13.3 Secondary treatment 78 13.3.1 Wet scrubbing 78 13.3.2 Dry scrubbing 79 13.3.3 Membranes 79 13.3.4 Pressure swing processes 80 13.3.5 Cryogenics 80 13.4 Combustion/Energy utilisation 80 13.4.1 Flares 81 13.4.2 Boilers 82 13.4.3 Internal combustion engines 82 13.4.4 Gas turbines 82 13.4.5 Fuel cells 82 13.4.6 Emissions from combustion technology 83 13.4.7 Post combustion/energy utilisation 83 13.5 Other uses of landfill gas 84 13.5.1 Methanol production 84 13.5.2 Cleaning to natural gas pipeline specifications 84 14 CONCLUSIONS 85 14.1 Review of published data 85 14.2 A database of published information, grey data & site specific data 85 14.3 Ranking the inherent toxicological and odour importance 86 14.4 Ranking significance of trace gases reported in UK landfill gas 87 14.5 Monitoring methods 88 14.6 Emission reduction 89 15 REFERENCES 91 APPENDICES APPENDIX I Site specific sampling data APPENDIX II Identified trace components of landfill gas APPENDIX III Assessment tables (Contained as spreadsheets on enclosed CD) TABLE 1 Toxicity Ranking Data TABLE 2 Mobility Ranking Data TABLE 3 Toxicity Significance Matrix TABLE 4 Odour Ranking Data TABLE 5 Odour Significance Matrix TABLE 6 Toxicity Significance Ranking TABLE 7 Odour Significance Ranking TABLE 8 Emission Reduction Technology R&D TECHNICAL REPORT P1-438/TR iii ABBREVIATIONS AAS Atomic Adsorption Spectroscopy AFS Atomic Fluorescence Spectrometry ASTM American Society for Testing and Materials ATD Automated Thermal Desorption tube CCR California Code of Regulations (CCR); CEQA California Environmental Quality Act CFR Code of Federal Regulations CIWMB California Integrated Waste Management Board CO Carbon Monoxide EAS Emission Atomic Spectroscopy GC Gas Chromatography HAPs Hazardous Air Pollutants HCl Hydrochloric Acid HDPE High-Density Polyethylene HPLC High Pressure Liquid Chromatography IC Ion Chromatography ICP Inductively Coupled Plasma MDHS Methods for the Determination of Hazardous Substances MS Mass Spectroscopy MSWL Municipal Solid Waste Landfill NIOSH National Institute of Occupational Health and Safety NMOC Non-Methane Organic Compounds OSHA Occupational Safety and Health Organisation PAH Polycyclic Aromatic Hydrocarbon PM Particulate Matter PVC Polyvinyl Chloride RCRA Resource Conservation and Recovery SCAQMD South Coast Air Quality Monitoring District SOx Oxides of Sulphur TAC Toxic Air Contaminant TOC Threshold Odour Concentration USEPA United States Environmental Protection Agency VOC Volatile Organic Compounds R&D TECHNICAL REPORT P1-438/TR iv EXECUTIVE SUMMARY This project addresses the source term for trace components that are emitted with the bulk gases from UK landfills. Comprehensive sampling of gas at one landfill site has augmented published and unpublished data on gaseous trace components. These data have been input into a database of information on trace components in UK landfill gas. Published toxicological and odour properties of trace components identified in landfill gas have been used to rank the potential impact of substances listed in the database. This ranking has been scaled against the average concentration of the substances reported in the database to estimate the potential contribution of each substance to the toxicological and odour impact of landfill gas. Analytical methods capable of measuring the substances ranked high in these priority lists have been identified and evaluated and methods that might reduce the emissions of these priority substances reviewed. Review of existing data The review of publicly available data on trace components of landfill gas concluded that most of the published UK data had been gathered at ‘problem’ sites likely to generate gas with relatively high concentrations of a wide range of trace components. This subsequently skewed the available dataset towards worst case conditions. It was also concluded that previous research had concentrated on discrete aspects, such as odourous components, rather than looking at the full spectrum of trace components in a particular sample and their overall impact. A database of published, unpublished and new information Trace component concentrations and associated ‘metadata’ from published reports have been entered into a database.
Load more

Recommended publications
  • Inorganic Chemistry for Dummies® Published by John Wiley & Sons, Inc
    Inorganic Chemistry Inorganic Chemistry by Michael L. Matson and Alvin W. Orbaek Inorganic Chemistry For Dummies® Published by John Wiley & Sons, Inc. 111 River St. Hoboken, NJ 07030-5774 www.wiley.com Copyright © 2013 by John Wiley & Sons, Inc., Hoboken, New Jersey Published by John Wiley & Sons, Inc., Hoboken, New Jersey Published simultaneously in Canada No part of this publication may be reproduced, stored in a retrieval system or transmitted in any form or by any means, electronic, mechanical, photocopying, recording, scanning or otherwise, except as permitted under Sections 107 or 108 of the 1976 United States Copyright Act, without either the prior written permis- sion of the Publisher, or authorization through payment of the appropriate per-copy fee to the Copyright Clearance Center, 222 Rosewood Drive, Danvers, MA 01923, (978) 750-8400, fax (978) 646-8600. Requests to the Publisher for permission should be addressed to the Permissions Department, John Wiley & Sons, Inc., 111 River Street, Hoboken, NJ 07030, (201) 748-6011, fax (201) 748-6008, or online at http://www.wiley. com/go/permissions. Trademarks: Wiley, the Wiley logo, For Dummies, the Dummies Man logo, A Reference for the Rest of Us!, The Dummies Way, Dummies Daily, The Fun and Easy Way, Dummies.com, Making Everything Easier, and related trade dress are trademarks or registered trademarks of John Wiley & Sons, Inc. and/or its affiliates in the United States and other countries, and may not be used without written permission. All other trade- marks are the property of their respective owners. John Wiley & Sons, Inc., is not associated with any product or vendor mentioned in this book.
    [Show full text]
  • 76 Chapt-24-Organic2
    The Chemistry of Alkanes Physical Properties of Alkanes as molecular size increases so does the boiling point of the alkane increased size increased dispersion forces Alkanes Boiling Point ˚C H Methane CH 4 H C H -161.6 H H H Ethane C2H6 H C C H -88.6 H H Propane C3H8 CH3 (CH2)1 CH3 -42.1 Butane C4H10 CH3 (CH2)2 CH3 -0.5 Pentane C5H12 CH3 (CH2)3 CH3 36.1 hexane C6H14 CH3 (CH2)4 CH3 68.7 Chemical Reactions and Alkanes because the C-C and C-H bonds are relatively strong , the alkanes are fairly unreactive their inertness makes them valuable as lubricating materials and as backbone material in the construction of other hydrocarbons Combustion of Alkanes At high temperatures alkanes combust ΔH˚ CH4 + O2 CO2 + 2H2O -890.4 kJ C4H10 + 13/2O2 4CO2 + 5H2O -3119 kJ these reactions are all highly exothermic Halogenation of Alkanes at temperatures above 100 ˚C CH4 + Cl2 CH3Cl + HCl chloromethane CH3Cl + Cl2 CH2Cl2 + HCl dichloromethane CH2Cl2 + Cl2 CHCl3 + HCl trichloromethane chloroform CHCl3 + Cl2 CCl4 + HCl tetrachloromethane Carbon tetrachloride Mechanism for Halogenation of Methane CH4 + Cl2 CH3Cl + HCl hν Cl2 • Cl + • Cl hν: energy required to break the Cl-Cl bond • Cl H H C H H • Cl is very reactive and able to attack the C-H bond Mechanism for Halogenation of Methane CH4 + Cl2 CH3Cl + HCl CH4 + • Cl • CH3 + HCl H Cl H • C H H Mechanism for Halogenation of Methane CH4 + Cl2 CH3Cl + HCl • CH3 + Cl2 CH3 Cl + • Cl Cl Cl H • Cl • C H H H Cl C H H Mechanism for Halogenation of Methane Cl2 • Cl + • Cl chlorine free radical CH4 + • Cl • CH3 + HCl
    [Show full text]
  • Standard Thermodynamic Properties of Chemical
    STANDARD THERMODYNAMIC PROPERTIES OF CHEMICAL SUBSTANCES ∆ ° –1 ∆ ° –1 ° –1 –1 –1 –1 Molecular fH /kJ mol fG /kJ mol S /J mol K Cp/J mol K formula Name Crys. Liq. Gas Crys. Liq. Gas Crys. Liq. Gas Crys. Liq. Gas Ac Actinium 0.0 406.0 366.0 56.5 188.1 27.2 20.8 Ag Silver 0.0 284.9 246.0 42.6 173.0 25.4 20.8 AgBr Silver(I) bromide -100.4 -96.9 107.1 52.4 AgBrO3 Silver(I) bromate -10.5 71.3 151.9 AgCl Silver(I) chloride -127.0 -109.8 96.3 50.8 AgClO3 Silver(I) chlorate -30.3 64.5 142.0 AgClO4 Silver(I) perchlorate -31.1 AgF Silver(I) fluoride -204.6 AgF2 Silver(II) fluoride -360.0 AgI Silver(I) iodide -61.8 -66.2 115.5 56.8 AgIO3 Silver(I) iodate -171.1 -93.7 149.4 102.9 AgNO3 Silver(I) nitrate -124.4 -33.4 140.9 93.1 Ag2 Disilver 410.0 358.8 257.1 37.0 Ag2CrO4 Silver(I) chromate -731.7 -641.8 217.6 142.3 Ag2O Silver(I) oxide -31.1 -11.2 121.3 65.9 Ag2O2 Silver(II) oxide -24.3 27.6 117.0 88.0 Ag2O3 Silver(III) oxide 33.9 121.4 100.0 Ag2O4S Silver(I) sulfate -715.9 -618.4 200.4 131.4 Ag2S Silver(I) sulfide (argentite) -32.6 -40.7 144.0 76.5 Al Aluminum 0.0 330.0 289.4 28.3 164.6 24.4 21.4 AlB3H12 Aluminum borohydride -16.3 13.0 145.0 147.0 289.1 379.2 194.6 AlBr Aluminum monobromide -4.0 -42.0 239.5 35.6 AlBr3 Aluminum tribromide -527.2 -425.1 180.2 100.6 AlCl Aluminum monochloride -47.7 -74.1 228.1 35.0 AlCl2 Aluminum dichloride -331.0 AlCl3 Aluminum trichloride -704.2 -583.2 -628.8 109.3 91.1 AlF Aluminum monofluoride -258.2 -283.7 215.0 31.9 AlF3 Aluminum trifluoride -1510.4 -1204.6 -1431.1 -1188.2 66.5 277.1 75.1 62.6 AlF4Na Sodium tetrafluoroaluminate
    [Show full text]
  • “Solid,” and Stereochemistry Refers to Chemistry in Three Dimensions
    CHAPTER 7 STEREOCHEMISTRY he Greek word stereos means “solid,” and stereochemistry refers to chemistry in three dimensions. The foundations of organic stereochemistry were laid by Jacobus Tvan’t Hoff* and Joseph Achille Le Bel in 1874. Independently of each other, van’t Hoff and Le Bel proposed that the four bonds to carbon were directed toward the cor- ners of a tetrahedron. One consequence of a tetrahedral arrangement of bonds to carbon is that two compounds may be different because the arrangement of their atoms in space is different. Isomers that have the same constitution but differ in the spatial arrangement of their atoms are called stereoisomers. We have already had considerable experience with certain types of stereoisomers—those involving cis and trans substitution patterns in alkenes and in cycloalkanes. Our major objectives in this chapter are to develop a feeling for molecules as three- dimensional objects and to become familiar with stereochemical principles, terms, and notation. A full understanding of organic and biological chemistry requires an awareness of the spatial requirements for interactions between molecules; this chapter provides the basis for that understanding. 7.1 MOLECULAR CHIRALITY: ENANTIOMERS Everything has a mirror image, but not all things are superposable on their mirror images. Mirror-image superposability characterizes many objects we use every day. Cups and saucers, forks and spoons, chairs and beds are all identical with their mirror images. Many other objects though—and this is the more interesting case—are not. Your left hand and your right hand, for example, are mirror images of each other but can’t be made to coin- cide point for point, palm to palm, knuckle to knuckle, in three dimensions.
    [Show full text]
  • 1 Three-Dimensional Structure of a Molecule
    Ch 1 Three dimentional structure of a molecule 1 Three-dimensional structure of a molecule Purpose In this chapter, you will learn that it is sometimes not sufficient to describe the structure of a molecule in a planar, two-dimensional way, which is usually used in textbooks, because the atoms that make up a molecule are arranged three-dimensionally in space. The three-dimensional structures of organic compounds significantly depend on the shapes and characteristics of the hybridized atomic orbitals of the carbon atom. Here you learn about sp3, sp2 and sp hybridized orbitals, which are involved deeply in the structure of molecules. Models are useful tools to conceptualize the shapes of molecules. The commercially available molecular models will be classified based on their features. Sometimes a compound may have two or more names. Similarly, several nomenclatures are used in discussing the stereochemistry of organic compounds. The nomenclature based on the sequence rule will be introduced because this method corresponds to the systematic nomenclature that is most widely used. New terms and concepts molecular formula rational formula structural formula dihedral angle (Compare with tortion angle in Ch. 2) carbon atomic orbital sp3 hybridization tetrahedral structure configurational isomer enantiomer (enantio isomer) Configuration (steric configuration) sp2 hybridization sp hybridization molecular model space filling model skeletal model ball and stick model free rotation restricted rotation sequence rule replica atom Goals of this chapter After you master this chapter successfully, you will be able to do the following: 1to understand that organic compounds are three-dimensional, and that you cannot properly draw these on a two-dimensional sheet of paper.
    [Show full text]
  • Status of Numerical Modeling of Halocarbon Impacts on Stratospheric Ozone
    THE STATUS OF NUMERICAL MODELING OF HALOCARBON IMPACTS ON STRATOSPHERIC OZONE Donald J. Wuebbles Department of Atmospheric Sciences University of Illinois, Urbana, IL 61801 Tel: 217-244-1568; Fax: 217-244-4393 [email protected] INTRODUCTION Numerical models of the chemistry and physics of the global atmosphere have played a key role in the scientific understanding of past, current and potential future effects of human-related emissions of halocarbons, including Halons, other brominated compounds and various replacement compounds on stratospheric ozone and climate change. As a result, these models have led directly to the Montreal Protocol and other national and international policy decisions regarding halocarbon controls due to their effects on stratospheric ozone. The purpose of this paper is to provide a perspective on atmospheric models, the role they have played in studies of the effects of Halons and other halocarbons on ozone, and to discuss what role models will likely play in future studies of stratospheric ozone THE COMPLEXITY OF STRATOSPHERIC OZONE It is important to recognize that the stratospheric ozone layer is a naturally occurring phenomenon that has great benefits to life on Earth. In fact, the formation of the ozone layer is generally believed to have played an important role in the development of life here on Earth. The accumulation of oxygen molecules in the atmosphere allowed for the production of ozone. Gradually the increasing levels of ozone led to the formation of the stratosphere, a region of the upper atmosphere where temperature increases with altitude largely as a result of the absorption of solar radiation by ozone.
    [Show full text]
  • Burske Norbert W 195708 Phd
    "In presenting the dissertation as a partial fulfillment of the requirements for an advanced degree from the Georgia Institute of Technology, I agree that the Library of the Institution shall make it available for inspection and circulation in accordance with its regulations governing materials of this type. I agree that permission to copy from, or to publish from, this dissertation may be granted by the professor under whose direction it was written, or, in his absence, by the dean of the Graduate Division when such copying or publication is solely for scholarly purposes and does not involve potential financial gain. It is understood that any copying from, or publication of, this dissertation which involves potential financial gain will not be allowed without written permission. n It THE KINETICS OF THE BASE-CATALYZED DEUTERIUM EXCHANGE OF SOME HALOFORMS IN AQUEOUS SOLUTION A THESIS Presented to the Faculty of the Graduate Division Georgia Institute of Technology In Partial Fulfillment of the Requirements for the Degree Doctor of Philosophy in the School of Chemistry By Norbert William Burske June 1957 1< THE KINETICS OF THE BASE-CATALYZED DEUTERIUM EXCHANGE OF SOME HALOFORMS IN AQUEOUS SOLUTION Approved, J I ki Jack Hine I ,r Lod D. Frashier Erlft.Edg Grovenstein, Jr. Date Approved by Chairman, ii ACKNOWLEDGEMENT The author wishes to gratefully acknowledge his in- debtedness to Dr. J. Hine for invaluable guidance and without his aid this project would never have been completed. Also, the author is indebted to the Atomic Energy Commission and the Office of Ordnance Research, U. S. Army for sponsoring assistantships.
    [Show full text]
  • Process for the Production of 4-Chloroacetyl Chloride, 4
    (19) & (11) EP 2 518 043 A1 (12) EUROPEAN PATENT APPLICATION (43) Date of publication: (51) Int Cl.: 31.10.2012 Bulletin 2012/44 C07C 51/58 (2006.01) C07C 67/14 (2006.01) C07C 231/02 (2006.01) C07C 59/21 (2006.01) (2006.01) (21) Application number: 11003510.2 C07C 69/63 (22) Date of filing: 29.04.2011 (84) Designated Contracting States: (71) Applicant: Lonza Ltd AL AT BE BG CH CY CZ DE DK EE ES FI FR GB 4052 Basel (CH) GR HR HU IE IS IT LI LT LU LV MC MK MT NL NO PL PT RO RS SE SI SK SM TR (72) Inventor: The designation of the inventor has not Designated Extension States: yet been filed BA ME (54) Process for the production of 4- chloroacetyl chloride, 4-chloroacetic acid esters, amides and imides (57) The invention relates to process for the contin- acetoacetyl chloride. uous production of 4-chloroacetoacetyl chloride, com- prising the steps of The invention also relates to a process for the production (a) feeding diketene and chlorine into a thin film reactor of 4-chloroacetic acid ester, 4-chloroacetic acid amide or and 4-chloroacetic acid imide from 4- chloroacetoacetyl chlo- (b) reacting the diketene and chlorine to obtain 4- chloro- ride obtained according to the inventive process. EP 2 518 043 A1 Printed by Jouve, 75001 PARIS (FR) 1 EP 2 518 043 A1 2 Description reactors and equipment and more energy for cooling. When increasing the volume of the reactor, the yield [0001] The invention relates to processes for the pro- dropped "drastically" andthe selectivity was relatively low duction of 4-chloroacetoacetyl chloride, 4-chloroacetic (US 4,473,508, example 7).
    [Show full text]
  • This Table Gives the Standard State Chemical Thermodynamic Properties of About 2500 Individual Substances in the Crystalline, Liquid, and Gaseous States
    STANDARD THERMODYNAMIC PROPERTIES OF CHEMICAL SUBSTANCES This table gives the standard state chemical thermodynamic properties of about 2500 individual substances in the crystalline, liquid, and gaseous states. Substances are listed by molecular formula in a modified Hill order; all substances not containing carbon appear first, followed by those that contain carbon. The properties tabulated are: DfH° Standard molar enthalpy (heat) of formation at 298.15 K in kJ/mol DfG° Standard molar Gibbs energy of formation at 298.15 K in kJ/mol S° Standard molar entropy at 298.15 K in J/mol K Cp Molar heat capacity at constant pressure at 298.15 K in J/mol K The standard state pressure is 100 kPa (1 bar). The standard states are defined for different phases by: • The standard state of a pure gaseous substance is that of the substance as a (hypothetical) ideal gas at the standard state pressure. • The standard state of a pure liquid substance is that of the liquid under the standard state pressure. • The standard state of a pure crystalline substance is that of the crystalline substance under the standard state pressure. An entry of 0.0 for DfH° for an element indicates the reference state of that element. See References 1 and 2 for further information on reference states. A blank means no value is available. The data are derived from the sources listed in the references, from other papers appearing in the Journal of Physical and Chemical Reference Data, and from the primary research literature. We are indebted to M. V. Korobov for providing data on fullerene compounds.
    [Show full text]
  • Configuration of (+)-Glyceraldehyde.Pdf
    DOI: 10.1002/chem.201400296 Communication & Asymmetric Synthesis Coulomb Explosion Imaged Cryptochiral (R,R)-2,3- Dideuterooxirane: Unambiguous Access to the Absolute Configuration of (+)-Glyceraldehyde Kerstin Zawatzky,[a] Philipp Herwig,[b] Manfred Grieser,[b] Oded Heber,[c] Brandon Jordon- Thaden,[b] Claude Krantz,[b] Oldrˇich Novotny´,[b, d] Roland Repnow,[b] Volker Schurig,[e] Dirk Schwalm,[b] Zeev Vager,[c] Andreas Wolf,[b] Holger Kreckel,[b] and Oliver Trapp*[a] Abstract: The absolute configuration of (R,R)-2,3-dideu- terooxirane, which has been independently determined using Coulomb explosion imaging, has been unambigu- ously chemically correlated with the stereochemical key reference (+)-glyceraldehyde. This puts the absolute con- figuration of d(+)-glyceraldehyde on firm experimental Figure 1. Rational molecular design of (R,R)-2,3-dideuterooxirane derived grounds. from (+)-glyceraldehyde to determine the absolute configuration by Cou- lomb explosion imaging. More than 150 years after the discovery of molecular handed- image because the signal intensities only depend on the lattice ness by Louis Pasteur, the determination of absolute configura- planes, but not on the spatial orientation. In 1951 Bijvoet intro- tions is still a non-trivial problem.[1] The knowledge of the ab- duced anomalous single-crystal XRD to determine the absolute solute configuration is of central importance, when looking at configuration of rubidium sodium (+)-tartrate dihydrate crys- processes such as the lock-and-key relationship or structure- tals.[7,8] Here, the anomalous dispersion effect caused by specific targeting in drug development. The configurational a heavy atom in a crystal of an optically active compound is standard of chiral molecules is dextrorotatory (+)-glyceralde- used to determine its absolute configuration.
    [Show full text]
  • Molecular Model Building
    Molecular Model Building Name Date Class Period Introduction A group of atoms held together by covalent bonds is called a molecule. Although we represent molecules on paper as being two- dimensional for convenience, they are actually three-dimensional. By building molecular models, chemists come to understand the bonding, shapes, and polarity of even the most complex molecules. A molecule can be represented on paper by either a molecular or a structural formula. A molecular formula indicates the number and kind of each atom present in a molecule. Some familiar molecular formulas are shown below. NH3 CH4 The molecular formulas do not provide any information concerning the actual arrangement of atoms in a molecule. Such information is given by structural formulas such as the following. These structural formulas are two dimensional. The angles shown are not true to the shape of the molecule. Structural formulas can be made to convey more information by using the following symbolism. Using this symbolism, the structural formulas shown above can be redrawn in the following fashion. H H N H H C H H H Model Building Page 1 In this experiment, you will construct three-dimensional models to help you visualize the shapes of molecules. You will use ball-and-stick type models, in which colored plastic balls represent atoms and short plastic connectors represent the bonds. Double and triple bonds are represented by thin flexible connectors and thick in-flexible connectors serve as single bonds. The plastic balls have holes molded into them to accept the connectors. The number of holes in the ball represents the maximum number of bonds that a given atom can have.
    [Show full text]
  • Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion with Updates from Active Thermochemical Tables
    ANL-05/20 TAE 960 Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion with Updates from Active Thermochemical Tables Alexander Burcat Faculty of Aerospace Engineering, Technion – Israel Institute of Technology Branko Ruscic Chemistry Division, Argonne National Laboratory September 2005 Argonne National Laboratory is managed by The University of Chicago for the U. S. Department of Energy About Argonne National Laboratory Argonne is managed by The University of Chicago for the U.S. Department of Energy under contract W-31-109-Eng-38. The Laboratory’s main facility is outside Chicago, at 9700 South Cass Avenue, Argonne, Illinois 60439. For information about Argonne and its pioneering science and technology programs, see www.anl.gov. Availability of This Report This report is available, at no cost, at http://www.osti.gov/bridge. It is also available on paper to U.S. Department of Energy and its contractors, for a processing fee, from: U.S. Department of Energy Office of Scientific and Technical Information P.O. Box 62 Oak Ridge, TN 37831-0062 phone (865) 576-8401 fax (865) 576-5728 [email protected] Disclaimer This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor The University of Chicago, nor any of their employees or officers, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights.
    [Show full text]