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Modelling and Numerical Simulation of Phase Separation in Polymer Modified Bitumen by Phase- Field Method
http://www.diva-portal.org Postprint This is the accepted version of a paper published in Materials & design. This paper has been peer- reviewed but does not include the final publisher proof-corrections or journal pagination. Citation for the original published paper (version of record): Zhu, J., Lu, X., Balieu, R., Kringos, N. (2016) Modelling and numerical simulation of phase separation in polymer modified bitumen by phase- field method. Materials & design, 107: 322-332 http://dx.doi.org/10.1016/j.matdes.2016.06.041 Access to the published version may require subscription. N.B. When citing this work, cite the original published paper. Permanent link to this version: http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-188830 ACCEPTED MANUSCRIPT Modelling and numerical simulation of phase separation in polymer modified bitumen by phase-field method Jiqing Zhu a,*, Xiaohu Lu b, Romain Balieu a, Niki Kringos a a Department of Civil and Architectural Engineering, KTH Royal Institute of Technology, Brinellvägen 23, SE-100 44 Stockholm, Sweden b Nynas AB, SE-149 82 Nynäshamn, Sweden * Corresponding author. Email: [email protected] (J. Zhu) Abstract In this paper, a phase-field model with viscoelastic effects is developed for polymer modified bitumen (PMB) with the aim to describe and predict the PMB storage stability and phase separation behaviour. The viscoelastic effects due to dynamic asymmetry between bitumen and polymer are represented in the model by introducing a composition-dependent mobility coefficient. A double-well potential for PMB system is proposed on the basis of the Flory-Huggins free energy of mixing, with some simplifying assumptions made to take into account the complex chemical composition of bitumen. -
Solutes and Solution
Solutes and Solution The first rule of solubility is “likes dissolve likes” Polar or ionic substances are soluble in polar solvents Non-polar substances are soluble in non- polar solvents Solutes and Solution There must be a reason why a substance is soluble in a solvent: either the solution process lowers the overall enthalpy of the system (Hrxn < 0) Or the solution process increases the overall entropy of the system (Srxn > 0) Entropy is a measure of the amount of disorder in a system—entropy must increase for any spontaneous change 1 Solutes and Solution The forces that drive the dissolution of a solute usually involve both enthalpy and entropy terms Hsoln < 0 for most species The creation of a solution takes a more ordered system (solid phase or pure liquid phase) and makes more disordered system (solute molecules are more randomly distributed throughout the solution) Saturation and Equilibrium If we have enough solute available, a solution can become saturated—the point when no more solute may be accepted into the solvent Saturation indicates an equilibrium between the pure solute and solvent and the solution solute + solvent solution KC 2 Saturation and Equilibrium solute + solvent solution KC The magnitude of KC indicates how soluble a solute is in that particular solvent If KC is large, the solute is very soluble If KC is small, the solute is only slightly soluble Saturation and Equilibrium Examples: + - NaCl(s) + H2O(l) Na (aq) + Cl (aq) KC = 37.3 A saturated solution of NaCl has a [Na+] = 6.11 M and [Cl-] = -
Chapter 2: Basic Tools of Analytical Chemistry
Chapter 2 Basic Tools of Analytical Chemistry Chapter Overview 2A Measurements in Analytical Chemistry 2B Concentration 2C Stoichiometric Calculations 2D Basic Equipment 2E Preparing Solutions 2F Spreadsheets and Computational Software 2G The Laboratory Notebook 2H Key Terms 2I Chapter Summary 2J Problems 2K Solutions to Practice Exercises In the chapters that follow we will explore many aspects of analytical chemistry. In the process we will consider important questions such as “How do we treat experimental data?”, “How do we ensure that our results are accurate?”, “How do we obtain a representative sample?”, and “How do we select an appropriate analytical technique?” Before we look more closely at these and other questions, we will first review some basic tools of importance to analytical chemists. 13 14 Analytical Chemistry 2.0 2A Measurements in Analytical Chemistry Analytical chemistry is a quantitative science. Whether determining the concentration of a species, evaluating an equilibrium constant, measuring a reaction rate, or drawing a correlation between a compound’s structure and its reactivity, analytical chemists engage in “measuring important chemical things.”1 In this section we briefly review the use of units and significant figures in analytical chemistry. 2A.1 Units of Measurement Some measurements, such as absorbance, A measurement usually consists of a unit and a number expressing the do not have units. Because the meaning of quantity of that unit. We may express the same physical measurement with a unitless number may be unclear, some authors include an artificial unit. It is not different units, which can create confusion. For example, the mass of a unusual to see the abbreviation AU, which sample weighing 1.5 g also may be written as 0.0033 lb or 0.053 oz. -
Ideal-Gas Mixtures and Real-Gas Mixtures
Thermodynamics: An Engineering Approach, 6th Edition Yunus A. Cengel, Michael A. Boles McGraw-Hill, 2008 Chapter 13 GAS MIXTURES Copyright © The McGraw-Hill Companies, Inc. Permission required for reproduction or display. Objectives • Develop rules for determining nonreacting gas mixture properties from knowledge of mixture composition and the properties of the individual components. • Define the quantities used to describe the composition of a mixture, such as mass fraction, mole fraction, and volume fraction. • Apply the rules for determining mixture properties to ideal-gas mixtures and real-gas mixtures. • Predict the P-v-T behavior of gas mixtures based on Dalton’s law of additive pressures and Amagat’s law of additive volumes. • Perform energy and exergy analysis of mixing processes. 2 COMPOSITION OF A GAS MIXTURE: MASS AND MOLE FRACTIONS To determine the properties of a mixture, we need to know the composition of the mixture as well as the properties of the individual components. There are two ways to describe the composition of a mixture: Molar analysis: specifying the number of moles of each component Gravimetric analysis: specifying the mass of each component The mass of a mixture is equal to the sum of the masses of its components. Mass fraction Mole The number of moles of a nonreacting mixture fraction is equal to the sum of the number of moles of its components. 3 Apparent (or average) molar mass The sum of the mass and mole fractions of a mixture is equal to 1. Gas constant The molar mass of a mixture Mass and mole fractions of a mixture are related by The sum of the mole fractions of a mixture is equal to 1. -
Page 1 of 6 This Is Henry's Law. It Says That at Equilibrium the Ratio of Dissolved NH3 to the Partial Pressure of NH3 Gas In
CHMY 361 HANDOUT#6 October 28, 2012 HOMEWORK #4 Key Was due Friday, Oct. 26 1. Using only data from Table A5, what is the boiling point of water deep in a mine that is so far below sea level that the atmospheric pressure is 1.17 atm? 0 ΔH vap = +44.02 kJ/mol H20(l) --> H2O(g) Q= PH2O /XH2O = K, at ⎛ P2 ⎞ ⎛ K 2 ⎞ ΔH vap ⎛ 1 1 ⎞ ln⎜ ⎟ = ln⎜ ⎟ − ⎜ − ⎟ equilibrium, i.e., the Vapor Pressure ⎝ P1 ⎠ ⎝ K1 ⎠ R ⎝ T2 T1 ⎠ for the pure liquid. ⎛1.17 ⎞ 44,020 ⎛ 1 1 ⎞ ln⎜ ⎟ = − ⎜ − ⎟ = 1 8.3145 ⎜ T 373 ⎟ ⎝ ⎠ ⎝ 2 ⎠ ⎡1.17⎤ − 8.3145ln 1 ⎢ 1 ⎥ 1 = ⎣ ⎦ + = .002651 T2 44,020 373 T2 = 377 2. From table A5, calculate the Henry’s Law constant (i.e., equilibrium constant) for dissolving of NH3(g) in water at 298 K and 340 K. It should have units of Matm-1;What would it be in atm per mole fraction, as in Table 5.1 at 298 K? o For NH3(g) ----> NH3(aq) ΔG = -26.5 - (-16.45) = -10.05 kJ/mol ΔG0 − [NH (aq)] K = e RT = 0.0173 = 3 This is Henry’s Law. It says that at equilibrium the ratio of dissolved P NH3 NH3 to the partial pressure of NH3 gas in contact with the liquid is a constant = 0.0173 (Henry’s Law Constant). This also says [NH3(aq)] =0.0173PNH3 or -1 PNH3 = 0.0173 [NH3(aq)] = 57.8 atm/M x [NH3(aq)] The latter form is like Table 5.1 except it has NH3 concentration in M instead of XNH3. -
Development Team
Paper No: 16 Environmental Chemistry Module: 01 Environmental Concentration Units Development Team Prof. R.K. Kohli Principal Investigator & Prof. V.K. Garg & Prof. Ashok Dhawan Co- Principal Investigator Central University of Punjab, Bathinda Prof. K.S. Gupta Paper Coordinator University of Rajasthan, Jaipur Prof. K.S. Gupta Content Writer University of Rajasthan, Jaipur Content Reviewer Dr. V.K. Garg Central University of Punjab, Bathinda Anchor Institute Central University of Punjab 1 Environmental Chemistry Environmental Environmental Concentration Units Sciences Description of Module Subject Name Environmental Sciences Paper Name Environmental Chemistry Module Name/Title Environmental Concentration Units Module Id EVS/EC-XVI/01 Pre-requisites A basic knowledge of concentration units 1. To define exponents, prefixes and symbols based on SI units 2. To define molarity and molality 3. To define number density and mixing ratio 4. To define parts –per notation by volume Objectives 5. To define parts-per notation by mass by mass 6. To define mass by volume unit for trace gases in air 7. To define mass by volume unit for aqueous media 8. To convert one unit into another Keywords Environmental concentrations, parts- per notations, ppm, ppb, ppt, partial pressure 2 Environmental Chemistry Environmental Environmental Concentration Units Sciences Module 1: Environmental Concentration Units Contents 1. Introduction 2. Exponents 3. Environmental Concentration Units 4. Molarity, mol/L 5. Molality, mol/kg 6. Number Density (n) 7. Mixing Ratio 8. Parts-Per Notation by Volume 9. ppmv, ppbv and pptv 10. Parts-Per Notation by Mass by Mass. 11. Mass by Volume Unit for Trace Gases in Air: Microgram per Cubic Meter, µg/m3 12. -
An Empirical Model Predicting the Viscosity of Highly Concentrated
Rheol Acta &2001) 40: 434±440 Ó Springer-Verlag 2001 ORIGINAL CONTRIBUTION Burkhardt Dames An empirical model predicting the viscosity Bradley Ron Morrison Norbert Willenbacher of highly concentrated, bimodal dispersions with colloidal interactions Abstract The relationship between the particles. Starting from a limiting Received: 7 June 2000 Accepted: 12 February 2001 particle size distribution and viscos- value of 2 for non-interacting either ity of concentrated dispersions is of colloidal or non-colloidal particles, great industrial importance, since it e generally increases strongly with is the key to get high solids disper- decreasing particle size. For a given sions or suspensions. The problem is particle system it then can be treated here experimentally as well expressed as a function of the num- as theoretically for the special case ber average particle diameter. As a of strongly interacting colloidal consequence, the viscosity of bimo- particles. An empirical model based dal dispersions varies not only with on a generalized Quemada equation the size ratio of large to small ~ / Àe g g 1 À / is used to describe particles, but also depends on the g as a functionmax of volume fraction absolute particle size going through for mono- as well as multimodal a minimum as the size ratio increas- dispersions. The pre-factor g~ ac- es. Furthermore, the well-known counts for the shear rate dependence viscosity minimum for bimodal dis- of g and does not aect the shape of persions with volumetric mixing the g vs / curves. It is shown here ratios of around 30/70 of small to for the ®rst time that colloidal large particles is shown to vanish if interactions do not show up in the colloidal interactions contribute maximum packing parameter and signi®cantly. -
THE SOLUBILITY of GASES in LIQUIDS Introductory Information C
THE SOLUBILITY OF GASES IN LIQUIDS Introductory Information C. L. Young, R. Battino, and H. L. Clever INTRODUCTION The Solubility Data Project aims to make a comprehensive search of the literature for data on the solubility of gases, liquids and solids in liquids. Data of suitable accuracy are compiled into data sheets set out in a uniform format. The data for each system are evaluated and where data of sufficient accuracy are available values are recommended and in some cases a smoothing equation is given to represent the variation of solubility with pressure and/or temperature. A text giving an evaluation and recommended values and the compiled data sheets are published on consecutive pages. The following paper by E. Wilhelm gives a rigorous thermodynamic treatment on the solubility of gases in liquids. DEFINITION OF GAS SOLUBILITY The distinction between vapor-liquid equilibria and the solubility of gases in liquids is arbitrary. It is generally accepted that the equilibrium set up at 300K between a typical gas such as argon and a liquid such as water is gas-liquid solubility whereas the equilibrium set up between hexane and cyclohexane at 350K is an example of vapor-liquid equilibrium. However, the distinction between gas-liquid solubility and vapor-liquid equilibrium is often not so clear. The equilibria set up between methane and propane above the critical temperature of methane and below the criti cal temperature of propane may be classed as vapor-liquid equilibrium or as gas-liquid solubility depending on the particular range of pressure considered and the particular worker concerned. -
Colloidal Suspensions
Chapter 9 Colloidal suspensions 9.1 Introduction So far we have discussed the motion of one single Brownian particle in a surrounding fluid and eventually in an extaernal potential. There are many practical applications of colloidal suspensions where several interacting Brownian particles are dissolved in a fluid. Colloid science has a long history startying with the observations by Robert Brown in 1828. The colloidal state was identified by Thomas Graham in 1861. In the first decade of last century studies of colloids played a central role in the development of statistical physics. The experiments of Perrin 1910, combined with Einstein's theory of Brownian motion from 1905, not only provided a determination of Avogadro's number but also laid to rest remaining doubts about the molecular composition of matter. An important event in the development of a quantitative description of colloidal systems was the derivation of effective pair potentials of charged colloidal particles. Much subsequent work, largely in the domain of chemistry, dealt with the stability of charged colloids and their aggregation under the influence of van der Waals attractions when the Coulombic repulsion is screened strongly by the addition of electrolyte. Synthetic colloidal spheres were first made in the 1940's. In the last twenty years the availability of several such reasonably well characterised "model" colloidal systems has attracted physicists to the field once more. The study, both theoretical and experimental, of the structure and dynamics of colloidal suspensions is now a vigorous and growing subject which spans chemistry, chemical engineering and physics. A colloidal dispersion is a heterogeneous system in which particles of solid or droplets of liquid are dispersed in a liquid medium. -
The Vertical Distribution of Soluble Gases in the Troposphere
UC Irvine UC Irvine Previously Published Works Title The vertical distribution of soluble gases in the troposphere Permalink https://escholarship.org/uc/item/7gc9g430 Journal Geophysical Research Letters, 2(8) ISSN 0094-8276 Authors Stedman, DH Chameides, WL Cicerone, RJ Publication Date 1975 DOI 10.1029/GL002i008p00333 License https://creativecommons.org/licenses/by/4.0/ 4.0 Peer reviewed eScholarship.org Powered by the California Digital Library University of California Vol. 2 No. 8 GEOPHYSICAL RESEARCHLETTERS August 1975 THE VERTICAL DISTRIBUTION OF SOLUBLE GASES IN THE TROPOSPHERE D. H. Stedman, W. L. Chameides, and R. J. Cicerone Space Physics Research Laboratory Department of Atmospheric and Oceanic Science The University of Michigan, Ann Arbor, Michigan 48105 Abstrg.ct. The thermodynamic properties of sev- Their arg:uments were based on the existence of an eral water-soluble gases are reviewed to determine HC1-H20 d•mer, but we consider the conclusions in- the likely effect of the atmospheric water cycle dependeht of the existence of dimers. For in- on their vertical profiles. We find that gaseous stance, Chameides[1975] has argued that HNO3 HC1, HN03, and HBr are sufficiently soluble in should follow the water-vapor mixing ratio gradi- water to suggest that their vertical profiles in ent, based on the high solubility of the gas in the troposphere have a similar shape to that of liquid water. In this work, we generalize the water va•or. Thuswe predict that HC1,HN03, and moredetailed argumentsof Chameides[1975] and HBr exhibit a steep negative gradient with alti- suggest which species should exhibit this nega- tude roughly equal to the altitude gradient of tive gradient and which should not. -
Introduction to the Solubility of Liquids in Liquids
INTRODUCTION TO THE SOLUBILITY OF LIQUIDS IN LIQUIDS The Solubility Data Series is made up of volumes of comprehensive and critically evaluated solubility data on chemical systems in clearly defined areas. Data of suitable precision are presented on data sheets in a uniform format, preceded for each system by a critical evaluation if more than one set of data is available. In those systems where data from different sources agree sufficiently, recommended values are pro posed. In other cases, values may be described as "tentative", "doubtful" or "rejected". This volume is primarily concerned with liquid-liquid systems, but related gas-liquid and solid-liquid systems are included when it is logical and convenient to do so. Solubilities at elevated and low 'temperatures and at elevated pressures may be included, as it is considered inappropriate to establish artificial limits on the data presented. For some systems the two components are miscible in all proportions at certain temperatures or pressures, and data on miscibility gap regions and upper and lower critical solution temperatures are included where appropriate and if available. TERMINOLOGY In this volume a mixture (1,2) or a solution (1,2) refers to a single liquid phase containing components 1 and 2, with no distinction being made between solvent and solute. The solubility of a substance 1 is the relative proportion of 1 in a mixture which is saturated with respect to component 1 at a specified temperature and pressure. (The term "saturated" implies the existence of equilibrium with respect to the processes of mass transfer between phases) • QUANTITIES USED AS MEASURES OF SOLUBILITY Mole fraction of component 1, Xl or x(l): ml/Ml nl/~ni = r(m.IM.) '/. -
Package 'Marelac'
Package ‘marelac’ February 20, 2020 Version 2.1.10 Title Tools for Aquatic Sciences Author Karline Soetaert [aut, cre], Thomas Petzoldt [aut], Filip Meysman [cph], Lorenz Meire [cph] Maintainer Karline Soetaert <[email protected]> Depends R (>= 3.2), shape Imports stats, seacarb Description Datasets, constants, conversion factors, and utilities for 'MArine', 'Riverine', 'Estuarine', 'LAcustrine' and 'Coastal' science. The package contains among others: (1) chemical and physical constants and datasets, e.g. atomic weights, gas constants, the earths bathymetry; (2) conversion factors (e.g. gram to mol to liter, barometric units, temperature, salinity); (3) physical functions, e.g. to estimate concentrations of conservative substances, gas transfer and diffusion coefficients, the Coriolis force and gravity; (4) thermophysical properties of the seawater, as from the UNESCO polynomial or from the more recent derivation based on a Gibbs function. License GPL (>= 2) LazyData yes Repository CRAN Repository/R-Forge/Project marelac Repository/R-Forge/Revision 205 Repository/R-Forge/DateTimeStamp 2020-02-11 22:10:45 Date/Publication 2020-02-20 18:50:04 UTC NeedsCompilation yes 1 2 R topics documented: R topics documented: marelac-package . .3 air_density . .5 air_spechum . .6 atmComp . .7 AtomicWeight . .8 Bathymetry . .9 Constants . 10 convert_p . 11 convert_RtoS . 11 convert_salinity . 13 convert_StoCl . 15 convert_StoR . 16 convert_T . 17 coriolis . 18 diffcoeff . 19 earth_surf . 21 gas_O2sat . 23 gas_satconc . 25 gas_schmidt . 27 gas_solubility . 28 gas_transfer . 31 gravity . 33 molvol . 34 molweight . 36 Oceans . 37 redfield . 38 ssd2rad . 39 sw_adtgrad . 40 sw_alpha . 41 sw_beta . 42 sw_comp . 43 sw_conserv . 44 sw_cp . 45 sw_dens . 47 sw_depth . 49 sw_enthalpy . 50 sw_entropy . 51 sw_gibbs . 52 sw_kappa .