Chemical Thermodynamics for Process Simulation (Hardcover)

INTRODUCTION

PVT BEHAVIOR OF PURE COMPONENTS General Description Caloric Properties
Ideal Gases
Real Fluids
Equations of State

CORRELATION AND ESTIMATION OF PURE COMPONENT PROPERTIES
Characteristic Physical Property Constants
Temperature-Dependent Properties
Correlation and Estimation of Transport Properties

PROPERTIES OF MIXTURES
Property Changes of Mixing
Partial Molar Properties
Gibbs-Duhem Equation
Ideal Mixture of Ideal Gases
Ideal Mixture of Real Fluids
Excess Properties
Fugacity in Mixtures
Activity and Activity Coefficient
Application of Equations of State to Mixtures

PHASE EQUILIBRIA IN FLUID SYSTEMS
Thermodynamic Fundamentals
Application of Activity Coefficient Models
Calculation of Vapor-Liquid Equilibria Using gE-Models
Fitting of gE-Model Parameters
Calculation of Vapor-Liquid Equilibria Using Equations of State
Conditions for the Occurrence of Azeotropic Behavior
Solubility of Gases in Liquids
Liquid-Liquid Equilibria
Predictive Models

CALORIC PROPERTIES
Caloric Equations of State
Enthalpy Description in Process Simulation Programs
Caloric Properties in Chemical Reactions
The G-Minimization Technique

ELECTROLYTE SOLUTIONS
Introduction
Thermodynamics of Electrolyte Solutions
Activity Coefficient Models for Electrolyte Solutions
Dissociation Equilibria
Influence of Salts on the Vapor-Liquid Equilibrium Behavior
Complex Electrolyte Systems

SOLID-LIQUID EQUILIBRIA
Thermodynamic Relations for the Calculation of Solid-Liquid Equilibria
Salt Solubility
Solubility of Solids in Supercritical Fluids

MEMBRANE PROCESSES
Osmosis
Pervaporation

POLYMER THERMODYNAMICS
Introduction
gE-models
Equations of State
Influence of Polydispersity

APPLICATIONS OF THERMODYNAMICS IN SEPARATION TECHNOLOGY
Verification of Model Parameters Prior to Process Simulation
Investigation of Azeotropic Points in Multicomponent Systems
Residue Curves, Distillation Boundaries, and Distillation Regions
Selection of Entrainers for Azeotropic and Extractive Distillation
Selection of Solvents for Other Separation Processes
Examination of the Applicability of Extractive Distillation for the Separation of Aliphatics from Aromatics

ENTHALPY OF REACTION AND CHEMICAL EQUILIBRIA
Enthalpy of Reaction
Chemical Equilibrium
Multiple Chemical Reaction Equilibria

SPECIAL APPLICATIONS
Formaldehyde Solutions
Vapor Phase Association

PRACTICAL APPLICATIONS
Flash
Joule-Thomson Effect
Adiabatic Compression and Expansion
Pressure Relief
Limitations of Equilibrium Thermodynamics

INTRODUCTION TO THE COLLECTION OF EXAMPLE PROBLEMS
Mathcad Examples
Examples Using the Dortmund Data Bank (DDB) and the Integrated Software Package DDBSP
Examples Using Microsoft Excel and Microsoft Office VBA


APPENDIX A Pure Component Parameters
APPENDIX B Coefficients for High Precision Equations of State
APPENDIX C Useful Derivations
APPENDIX D Standard Thermodynamic Properties for Selected Electrolyte Compounds
APPENDIX E Regression Technique for Pure Component Data
APPENDIX F Regression Techniques for Binary Parameters Appendix G Ideal Gas Heat Capacity Polynomial Coefficients for Selected Compounds
APPENDIX H UNIFAC Parameters
APPENDIX I Modified UNIFAC Parameters
APPENDIX J PSRK Parameters
APPENDIX K VTPR Parameters

Index