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Chemical Thermodynamics for Process Simulation Description:

This is the only book to apply thermodynamics to real–world process engineering problems, explaining the thermodynamics behind simulations from the view of academic and industrial authors to users of simulation programs. It comprises numerous solved examples, which simplify the understanding of the often complex calculation procedures, and discusses their advantages and disadvantages. The text also includes such special models as for formaldehyde, polymers, and associating compounds. Estimation methods for thermophysical properties and phase equilibria and thermodynamics of alternative separation processes are covered, as are new developments from recent years. For a deeper understanding additional problems are given at the end of each chapter. To solve the complex problems prepared Mathcad files, Excel files or the DDBSP Explorer version can be accessed via the Internet. While written for an advanced level, the text is easy to understand for every chemical engineer and chemist with a basic education in thermodynamics and phase equilibria, teaching students the engineering perspective of thermodynamics but also of interest to all companies active in chemistry, pharmacy, oil and gas processing, petrochemistry, refinery, food production, environmental protection and engineering.

Contents:

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

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