Chemical Thermodynamics for Process Simulation, 2 by Gmehling, Jürgen -- Read -- Imperial Library of Trantor

Index

Cover Table of Contents Preface Preface to the Second Edition List of Symbols

Greek Symbols Special symbols Subscripts Superscripts Mathematics Conversion factors

About the Authors 1 Introduction 2 PvT Behavior of Pure Components

2.1 General Description 2.2 Caloric Properties 2.3 Ideal Gases 2.4 Real Fluids 2.5 Equations of State Problems References

3 Correlation and Estimation of Pure Component Properties

3.1 Introduction 3.2 Characteristic Physical Property Constants 3.3 Temperature‐Dependent Properties 3.4 Correlation and Estimation of Transport Properties References

4 Properties of Mixtures

4.1 Introduction 4.2 Property Changes of Mixing 4.3 Partial Molar Properties 4.4 Gibbs–Duhem Equation 4.5 Ideal Mixture of Ideal Gases 4.6 Ideal Mixture of Real Fluids 4.7 Excess Properties 4.8 Fugacity in Mixtures 4.9 Activity and Activity Coefficient 4.10 Application of Equations of State to Mixtures References

5 Phase Equilibria in Fluid Systems

5.1 Introduction 5.2 Thermodynamic Fundamentals 5.3 Application of Activity Coefficients 5.4 Calculation of Vapor–Liquid Equilibria Using g Models 5.5 Fitting of g Model Parameters 5.6 Calculation of Vapor–Liquid Equilibria Using Equations of State 5.7 Conditions for the Occurrence of Azeotropic Behavior 5.8 Solubility of Gases in Liquids 5.9 Liquid–Liquid Equilibria 5.10 Predictive Models References

6 Caloric Properties

6.1 Caloric Equations of State 6.2 Enthalpy Description in Process Simulation Programs 6.3 Caloric Properties in Chemical Reactions References

7 Electrolyte Solutions

7.1 Introduction 7.2 Thermodynamics of Electrolyte Solutions 7.3 Activity Coefficient Models for Electrolyte Solutions 7.4 Dissociation Equilibria 7.5 Influence of Salts on the Vapor–Liquid Equilibrium Behavior 7.6 Complex Electrolyte Systems References

8 Solid–Liquid Equilibria

8.1 Introduction 8.2 Thermodynamic Relations for the Calculation of Solid–Liquid Equilibria 8.3 Salt Solubility 8.4 Solubility of Solids in Supercritical Fluids Problems References

9 Membrane Processes

9.1 Osmosis 9.2 Pervaporation References

10 Polymer Thermodynamics1

10.1 Introduction 10.2 g Models 10.3 Equations of State 10.4 Influence of Polydispersity 10.5 Influence of Polymer Structure References

11 Applications of Thermodynamics in Separation Technology

11.1 Introduction 11.2 Verification of Model Parameters Prior to Process Simulation 11.3 Investigation of Azeotropic Points in Multicomponent Systems 11.4 Residue Curves, Distillation Boundaries, and Distillation Regions 11.5 Selection of Entrainers for Azeotropic and Extractive Distillation 11.6 Selection of Solvents for Other Separation Processes 11.7 Selection of Solvent‐Based Separation Processes References

12 Enthalpy of Reaction and Chemical Equilibria

12.1 Introduction 12.2 Enthalpy of Reaction 12.3 Chemical Equilibrium 12.4 Multiple Chemical Reaction Equilibria References

13 Examples for Complex Systems

13.1 Introduction 13.2 Formaldehyde Solutions 13.3 Vapor Phase Association References

14 Practical Applications

14.1 Introduction 14.2 Flash 14.3 Joule–Thomson Effect 14.4 Adiabatic Compression and Expansion 14.5 Pressure Relief 14.6 Limitations of Equilibrium Thermodynamics References

15 Experimental Determination of Pure Component and Mixture Properties

15.1 Introduction 15.2 Pure Component Vapor Pressure and Boiling Temperature 15.3 Enthalpy of Vaporization 15.4 Critical Data 15.5 Vapor–Liquid Equilibria 15.6 Activity Coefficients at Infinite Dilution 15.7 Liquid–Liquid Equilibria (LLE) 15.8 Gas Solubility 15.9 Excess Enthalpy References

16 Introduction to the Collection of Example Problems

16.1 Introduction 16.2 Mathcad Examples 16.3 Examples Using the Dortmund Data Bank (DDB) and the Integrated Software Package DDBSP 16.4 Examples Using Microsoft Excel and Microsoft Office VBA

Appendix A: Pure Component Parameters Appendix B: Coefficients for High‐Precision Equations of State

References

Appendix C: Useful Derivations

A1 Relationship Between (∂s/∂T)P and (∂s/∂T)v A2 Expressions for (∂u/∂v)T and (∂s/∂v)T A3 cP and cv as Derivatives of the Specific Entropy A4 Relationship Between cP and cv A5 Expression for (∂h/∂P)T A6 Expression for (∂s/∂P)T A7 Expression for [∂(g/RT)/∂T]P and van't Hoff Equation A8 General Expression for cv A9 Expression for (∂P/∂v)T A10 Cardano's Formula B1 Derivation of the Kelvin Equation B2 Equivalence of Chemical Potential μ and Gibbs Energy g for a Pure Substance B3 Phase Equilibrium Condition for a Pure Substance B4 Relationship Between Partial Molar Property and State Variable (Euler Theorem) B5 Chemical Potential in Mixtures B6 Relationship Between Second Virial Coefficients of Leiden and Berlin Form B7 Derivation of Expressions for the Speed of Sound for Ideal and Real Gases B8 Activity of the Solvent in an Electrolyte Solution B9 Temperature Dependence of the Azeotropic Composition B10 Konovalov Equations C1 (s–s)T,P C2 (h–h)T,P C3 (g–g)T,P C4 Relationship Between Excess Enthalpy and Activity Coefficient D1 Fugacity Coefficient for a Pressure‐Explicit Equation of State D2 Fugacity Coefficient of the Virial Equation (Leiden Form) D3 Fugacity Coefficient of the Virial Equation (Berlin Form) D4 Fugacity Coefficient of the Soave–Redlich–Kwong Equation of State D5 Fugacity Coefficient of the PSRK Equation of State D.6 Fugacity Coefficient of the VTPR Equation of State E.1 Derivation of the Wilson Equation E.2 Notation of the Wilson, NRTL, and UNIQUAC Equations in Process Simulation Programs E.3 Inability of the Wilson Equation to Describe a Miscibility Gap F.1 (h–h) for Soave–Redlich–Kwong Equation of State F2 (s–s) for Soave–Redlich–Kwong Equation of State F3 (g–g) for Soave–Redlich–Kwong Equation of State F4 Antiderivatives of Correlations G1 Speed of Sound as Maximum Velocity in an Adiabatic Pipe with Constant Cross‐Flow Area G2 Maximum Mass Flux of an Ideal Gas References

Appendix D: Standard Thermodynamic Properties for Selected Electrolyte Compounds

Reference

Appendix E: Regression Technique for Pure Component Data Appendix F: Regression Techniques for Binary Parameters

References

Appendix G: Ideal Gas Heat Capacity Polynomial Coefficients for Selected Compounds

Reference

Appendix H: UNIFAC Parameters