The Thermodynamics of Phase and Reaction Equilibria – Ismail Tosun – 1st Edition

Description

This provides a solid foundation for understanding abstract concepts of phase and reaction equilibria (eg, , fugacity, and Gibbs activity of partial molars) and shows how to apply these concepts to solve practical using numerous clear examples.
It also presents the numerical necessary to solve real world problems, as well as the necessary basic , facilitating its use as a reference work of self-. In the example of problems that require MATHCAD® for the , the results of the intermediate steps are provided, which allows the reader to easily track the errors and understand the order of magnitude of the different quantities involved.

Table of Contents

Dedication
Preface
Notation
Chapter 1. Review of the First and Second Laws of Thermodynamics
1.1 Definitions
1.2 Concepts of the “Abstract World” of Thermodynamics
1.3 Work
1.4 Paths Followed During a Process
1.5 The First Law of Thermodynamics
1.6 The Second Law of Thermodynamics
References
Chapter 2. Thermodynamic Properties of Real Substances
2.1 Work Functions
2.2 Thermodynamic Properties of a Single-Phase System
Problems
References
Chapter 3. Calculation of Changes in Internal Energy, Enthalpy, and Entropy
3.1 Equations of State
3.2 Calculation of the Change in Internal Energy
3.3 Calculation of the Change in Enthalpy
3.4 Calculation of the Change in Entropy
3.5 The Principle of Corresponding States
3.6 Departure Functions
3.7 Which Equation of State to Use?
Problems
References
Chapter 4. Equilibrium and Phase Stability in One-Component Systems
4.1 Equilibrium Criteria for Closed Systems
4.2 Equilibrium Criteria for Open Systems
4.3 Phase Stability
Problems
References
Chapter 5. Fugacity of a Pure Component
5.1 Molar Gibbs Energy of a Pure Ideal Gas
5.2 Definition of Fugacity and Fugacity Coefficient
5.3 Fugacity of a Pure Gas
5.4 Fugacity of a Pure Liquid
5.5 Fugacity of a Pure Solid
5.6 Phase Transitions and Equilibrium Criteria
5.7 Analysis of Phase Diagrams Using Stability Criteria
5.8 Variation of Fugacity with Pressure and Temperature
Problems
References
Chapter 6. Thermodynamics of Mixtures
6.1 Equations of State for Mixtures
6.2 Partial Molar Property
6.3 Property Changes on Mixing
6.4 The Gibbs-Duhem Equation
Problems
References
Chapter 7. Fugacity of a Component in a Mixture
7.1 Fundamental Equations for a Multicomponent Mixture
7.2 Partial Molar Gibbs Energy of an Ideal Gas Mixture
7.3 Fugacity of a Component in a Mixture
7.4 Ideal Mixture
7.5 Calculation of Component Fugacities in a Gas Mixture
7.6 Calculation of Component Fugacities in a Liquid Mixture
7.7 Variation of Component Fugacity with Pressure and Temperature
7.8 The Use of Fugacity in Phase Equilibrium Calculations
Problems
References
Chapter 8. Excess Mixture Properties and Activity Coefficients
8.1 Property Changes on Mixing for an Ideal Mixture
8.2 Excess Properties
8.3 Activity and Activity Coefficient
8.4 Binary Activity Coefficient Models
8.5 Regular Mixture
8.6 UNIFAC
8.7 Infinite Dilution Activity Coefficients
8.8 Testing Consistency of Experimental Data
8.9 Concluding Remarks
Problems
References
Chapter 9. Vapor-Liquid Equilibrium
9.1 Vapor-Liquid Equilibrium Calculations
9.2 Raoult’s Law
9.3 VLE Calculations When Raoult’s Law is Applicable
9.4 VLE Calculations by Numerical Techniques
9.5 VLE Calculations for Nonideal Liquid Mixtures
9.6 Positive and Negative Deviations from Raoult’s Law
9.7 Relative Volatility
9.8 VLE Calculations Using the Equation of State
Problems
References
Chapter 10. Solubility of Gases in Liquids
10.1 Henry’s Law
10.2 Factors Affecting Gas Solubility
10.3 Applications of Henry’s Law
Problems
References
Chapter 11. Liquid-Liquid Equilibrium
11.1 Mathematical Preliminaries
11.2 Stability of Liquid Mixtures
11.3 Liquid-Liquid Equilibrium Calculations
11.4 Liquid-Liquid Extraction
11.5 Applications of Liquid-Liquid Equilibrium
Problems
References
Chapter 12. Solid-Liquid Equilibrium
12.1 Equilibrium Between a Pure Solid and a Liquid Mixture
12.2 Colligative Properties
Problems
References
Chapter 13. Chemical Reaction Equilibrium
13.1 Stoichiometry of a Chemical Reaction
13.2 The Law of Combining Proportions
13.3 Equilibrium for a Single Reaction
13.4 Evaluation of the Equilibrium Constant
13.5 Gas Phase Reactions
13.6 Liquid (or Solid) Phase Reactions
13.7 An Alternative Way of Calculating Equilibrium Composition
Problems
References
Chapter 14. Heterogeneous Reactions and Multireaction Equilibria
14.1 Heterogeneous Reactions
14.2 Multiple Chemical Reactions
14.3 Determination of Independent Reactions From The Given Species
14.4 The Enthalpy and Gibbs Energy Change of Reaction
14.5 Carbon Formation
14.6 The Inverse Problem
14.7 Chemical Equilibrium Calculations by the Minimization of Gibbs Energy
Problems
References
Appendix A. Critical Constants and Acentric Factors
Compiled From
Appendix B. Heat Capacity of Ideal Gases
Compiled From
Appendix C. Antoine Constants
Compiled From
Appendix D. Corresponding States Using the Lee-Kesler Equation of State
Compressibility Factor
Enthalpy Departure Function
Entropy Departure Function
Appendix E. Enthalpy and Gibbs Energy of Formation at 298 K and 1bar
Compiled From
Appendix F. Matrices
F.1 Matrix Definition
F.2 Types of Matrices
F.3 Matrix Algebra
F.4 Determinants
F.5 Special Matrices
F.6 Linear Dependence
Appendix G. Databanks, Simulation Programs, Books, Websites
Databanks
Simulation Programs
Books
Websites
Index
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