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[资源] 复杂系统的分子热力学（Molecular Thermodynamics of Complex Systems）

Molecular Thermodynamics of Complex Systems
Content: Density functional theory for liquid structure and thermodynamics -- Thermodynamic modeling of complex systems -- Phase equilibria, morphologies of microphase separation, and interfacial structures of polymer systems studied by equations of state -- Ionic liquids and relative process design -- Thermodynamic analysis for synthesis of advanced materials
Table of contents :
Cover Page......Page 1
Structure and Bonding......Page 3
Title Page......Page 4
ISBN 3540691146......Page 5
Editors......Page 6
Structure and Bonding Also Available Electronically......Page 7
Preface......Page 8
Contents (with page links)......Page 10
Contents......Page 11
Abbreviations......Page 12
Superscripts......Page 14
1 Introduction......Page 15
2 Variational Principle of Equilibrium......Page 16
3 Square-Gradient Theory......Page 18
4 Density Functional Theory......Page 27
5 Density Distribution and Correlation Functions......Page 34
6 Integral Equation Theories......Page 41
7 Thermodynamic Properties of Uniform Fluids......Page 48
8 Thermodynamic Properties of Inhomogeneous Fluids......Page 54
9 Excess Helmholtz Energy Functionals......Page 71
10 Summary......Page 80
References......Page 82
Contents......Page 85
1 Introduction......Page 86
2 PC-SAFT Equation of State......Page 88
3 Modeling of Low Molecular Weight Systems......Page 90
4 Modeling of Solid–Liquid Equilibria......Page 101
5 Polymer Systems......Page 106
References......Page 112
Hard-Chain Reference Contribution......Page 114
Dispersion Contribution......Page 115
Dipolar Contribution......Page 116
Fugacity Coef cient......Page 118
Keywords:......Page 119
1 Introduction......Page 120
2 Equation of State for Polymer Systems......Page 121
3 Microphase Separation of Polymer Systems by a Dynamic Density Functional Theory Based on Equations of State......Page 131
4 Density Functional Theory for Heterogeneous Fluids......Page 140
5 Conclusion......Page 149
References......Page 150
Contents......Page 153
1 Introduction......Page 154
2 Synthesis of ILs......Page 156
3 Structures and Properties of ILs......Page 159
4 Applications of ILs......Page 170
5 Evaluations and Toxicity of ILs......Page 189
6 Conclusions and Prospects......Page 194
References......Page 195
Contents......Page 203
1 Introduction......Page 204
2 Molecular Simulation Study on Behavior of Fluids in Nanoconfinemen......Page 206
3 Thermodynamic Properties of Aqueous Electrolyte Solutions at High Temperature and High Pressure......Page 227
4 Thermodynamic Analysis of the Solid–Liquid Equilibrium in Aqueous Electrolyte Solution......Page 242
5 Mass Transfer Kinetic Analysis at the Solid–Liquid Interface Based on a Thermodynamic Method......Page 255
6 Thermodynamics and Kinetics Analysis for Preparation of Potassium Titanate Fibers......Page 266
References......Page 277
Index (with page links)......Page 281

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2014-11-24 09:14:34, 6.65 M