Chemical Thermodynamics for Process Simulation

  • ID: 2183067
  • Book
  • 760 Pages
  • John Wiley and Sons Ltd
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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.

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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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"The authors of this excellent book on chemical thermodynamics have achieved something rare taking one of the dreariest theoretical sciences and making

it accessible.

This book is a treasure trove of fundamental thermodynamic knowledge with the guidance necessary to apply the theory to practical applications.

The first eight chapters deal primarily with thermodynamic concepts, such as pure component behaviour (Chapter 1). properties of mixtures (Chapter 2), phase equilibria and solid state equilibria (Chapters 4 and 8). In each of these chapters the authors manage to breakdown thermodynamics into its essential building blocks and guide the reader through the increasing complexity. This is a good refresher for those who studied thermodynamics as a student or a good introduction to those being exposed to thermodynamics for the first time.

However, be warned. This is not the basics of thermodynamics: the reader quickly gets amongst the mathematics – but it is present in a direct and concise manner that anyone familiar with undergraduate mathematics will be able to comprehend.

Though the title has ′for process simulations, most of the thermodynamic discussion is on the fundamental Level, with only the later parts of each chapter progressing into simulation models. Examples are equations of state for fluid system phase equilibria (Chapter–1) and the NRTL model in electrolyte solutions (Chapter 7). This distinction makes Chemical thermodynamics for process simulations a great general reference

source.

The worked examples hit the Goldilocks zone for problems – not too easy, not too hard – and this reviewer found them to successfully illustrate the various topics.

The second half of the book focuses more on the applied side » applying thermodynamic theory to membrane processes (Chapter 9) and polymers (Chapter 10), as well as to reactions and equilibriums (Chapter 12). Here, the reader can become confused if not well versed in the topics of interest, since some prior knowledge is assumed.

The final chapter is not really a chapter, but rather an invitation for readers to download thermodynamic and process examples from the internet to be applied in software programs such as Mathcad. This is a great example of broadening the education value through technology, and should be copied bymore authors.

If you are interested in detailed and accessible thermodynamics, start and finish with this book."

– Chemistry in Australia, September 2012
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