Equations of State for Fluids and Fluid Mixtures
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Table of contents
- Cover
- CONTENTSv
- List of Contributorsxvii
- Prefacexix
- PART I1
- Chapter 1. Introduction1
- Chapter 2. Fundamental Considerations5
- 2.1 Introduction6
- 2.2 Basic Thermodynamics6
- 2.3 Deviation Functions11
- 2.4 Mixing and Departure Functions15
- 2.5 Mixing and Excess Functions20
- 2.6 Partial Molar Properties22
- 2.7 Fugacity and Fugacity Coefficients23
- 2.8 Activity Coefficients25
- 2.9 The Phase Rule26
- 2.10 Equilibrium Conditions27
- 2.11 Stability and the Critical State30
- Chapter 3. The Virial Equation of State35
- 3.1 Introduction36
- 3.2 Thermodynamic Properties of Gases41
- 3.3 Theory48
- 3.4 Calculation and Estimation of Virial Coefficients67
- 3.5 Summary72
- Chapter 4. Cubic and Generalized van der Waals Equations75
- 4.1 Cubic Equations of State for Pure Components76
- 4.2 Equations Based on the Generalized van der Waals Theory86
- 4.3 Simple Equations Inspired by the Generalized van der Waals Theory92
- 4.4 Methods for Extending Equations of State to Mixtures94
- 4.5 Explicit Treatment of Association in Empirical Equations of State107
- 4.6 Equations of State as Fully Predictive Models116
- 4.7 Closing Remarks119
- Chapter 5. Perturbation Theory127
- 5.1 Introduction128
- 5.2 Basic Concepts of Perturbation Theory131
- 5.3 Perturbation Theories of Pure Simple Fluids133
- 5.4 Mixtures of Simple Fluids148
- 5.5 Perturbation Theories of Molecular Fluids151
- 5.6 Mixtures of Molecular Fluids163
- 5.7 Conclusions166
- Chapter 6. Equations of State from Analytically Solvable Integral-Equation Approximations169
- 6.1 Introduction170
- 6.2 Baxter/Wertheim Factorization of the Ornstein-Zernike Equation179
- 6.3 Equation of State for Analytically Solvable Models of Simple Fluids183
- 6.4 Equation of State for Analytically Solvable Models of Molecular Fluids212
- 6.5 Equation of State for Analytically Solvable Models of Associating Fluids228
- 6.6 Conclusion241
- Chapter 7. Quasilattice Equations of State for Molecular Fluids255
- 7.1 Introduction256
- 7.2 Basic Features of Lattice Theories; Structure of a Quasilattice EOS257
- 7.3 Influence of Molecular Size and Shape259
- 7.4 Contact-Site Models for Fluids with Strong Directional Attractive Interactions264
- 7.5 Results of Thermodynamic Modeling by the Quasilattice EOS270
- 7.6 Conclusions282
- Chapter 8. The Corresponding-States Principle289
- 8.1 Introduction290
- 8.2 Theoretical Considerations292
- 8.3 Determination of Shape Factors295
- 8.4 Mixtures306
- 8.5 Applications of the Extended Corresponding-States Theory310
- 8.6 Conclusions316
- Chapter 9. Mixing and Combining Rules321
- 9.1 Mixing Rules for Cubic and Related Equations of State323
- 9.2 Mixing Rules for the Virial Family of Equations of State346
- 9.3 Mixing Rules Based Upon Theory and Computer Simulation352
- 9.4 Conclusions354
- Chapter 10. Mixtures of Dissimilar Molecules359
- 10.1 Introduction360
- 10.2 Background360
- 10.3 Grand Canonical Ensemble361
- 10.4 Analytic Theory of Dissimilar Mixtures363
- 10.5 Binary Mixtures366
- 10.6 Test of CijClosure367
- 10.7 Vapor-Liquid Equilibria372
- 10.8 Liquid-Liquid Equilibria376
- 10.9 Summary378
- Chapter 11. Critical Region381
- 11.1 Introduction382
- 11.2 Critical Region in the Van der Waals Theory383
- 11.3 Asymptotic Scaled Equation of State386
- 11.4 Corrections to the Asymptotic Scaled Equation of State396
- 11.5 Crossover between Scaling and Classical Asymptotic Critical Behavior401
- 11.6 Crossover between Scaling and Classical Nonasymptotic Critical Behavior in the Extended Critica406
- 11.7 Global Crossover Equation of State for One-Component Fluids412
- 11.8 Isomorphic Scaled Equation of State for Near-Critical Binary Fluids414
- 11.9 Renormalization of Critical Exponents419
- 11.10 Isomorphic Description of Fluid-Fluid Phase Equilibria421
- 11.11 Crossover between Vapor-Liquid and Liquid-Liquid Critical Phenomena424
- 11.12 Summary and Outlook427
This book has been prepared under the auspices of Commission I.2 on Thermodynamics of the International Union of Pure and Applied Chemistry (IUPAC). The authors of the 18 chapters are all recognized experts in the field. The book gives an up-to-date presentation of equations of state for fluids and fluid mixtures.
All principal approaches for developing equations of state are covered. The theoretical basis and practical use of each type of equation is discussed and the strength and weaknesses of each is addressed. Topics addressed include the virial equation of state, cubic equations and generalized van der Waals equations, perturbation theory, integral equations, corresponding stated and mixing rules. Special attention is also devoted to associating fluids, polydisperse fluids, polymer systems, self-assembled systems, ionic fluids and fluids near critical points.
All principal approaches for developing equations of state are covered. The theoretical basis and practical use of each type of equation is discussed and the strength and weaknesses of each is addressed. Topics addressed include the virial equation of state, cubic equations and generalized van der Waals equations, perturbation theory, integral equations, corresponding stated and mixing rules. Special attention is also devoted to associating fluids, polydisperse fluids, polymer systems, self-assembled systems, ionic fluids and fluids near critical points.