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1 Summary of Thermodynamic Potentials |
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1 | (12) |
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1.1 Entropy: Isolated Systems |
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1 | (3) |
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1.2 Helmholtz Free Energy: Closed Systems |
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4 | (1) |
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1.3 Gibbs Free Energy: Isothermal---Isobaric Systems |
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5 | (1) |
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1.4 Grand Potential: Open Systems |
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6 | (1) |
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1.5 Response Functions and Maxwell Relations |
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6 | (7) |
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11 | (1) |
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11 | (2) |
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2 Summary of Equilibrium Statistical Ensembles |
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13 | (20) |
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13 | (1) |
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2.2 Gibbs Entropy Functional |
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14 | (2) |
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2.3 Microcanonical Ensemble: Isolated Systems |
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16 | (2) |
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2.4 Canonical Ensemble: Closed Systems |
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18 | (2) |
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2.5 Grand Canonical Ensemble: Open Systems |
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20 | (3) |
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2.6 Isothermal-Isobaric Ensemble: Isothermal-Isobaric Systems |
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23 | (2) |
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25 | (2) |
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27 | (2) |
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2.9 Generalization to Mixtures |
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29 | (4) |
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30 | (1) |
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31 | (2) |
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3 Density Expansion of the Equation of State |
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33 | (64) |
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3.1 Pair Interaction Potential and Mayer Function |
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33 | (6) |
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39 | (3) |
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42 | (4) |
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3.4 Grand Canonical Ensemble: Expansion in Powers of Fugacity |
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46 | (2) |
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3.5 Expansion of Pressure in Powers of Density: Virial Coefficients |
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48 | (2) |
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3.6 Virial Coefficients for Mixtures |
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50 | (4) |
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3.7 Second Virial Coefficient |
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54 | (4) |
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3.8 Higher-Order Virial Coefficients for Hard Spheres |
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58 | (14) |
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3.8.1 One-Component Systems |
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58 | (5) |
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3.8.2 Multicomponent Systems |
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63 | (9) |
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3.9 Simple Approximations for the Equation of State of Hard Disks and Spheres |
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72 | (25) |
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73 | (2) |
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3.9.2 Hard Spheres (d = 3) |
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75 | (3) |
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3.9.3 Extension to Mixtures: Effective One-Component Fluid Approaches |
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78 | (11) |
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89 | (3) |
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92 | (5) |
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4 Spatial Correlation Functions and Thermodynamic Routes |
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97 | (28) |
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4.1 Reduced Distribution Functions |
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97 | (3) |
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4.2 Correlation Functions |
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100 | (1) |
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4.3 Radial Distribution Function |
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101 | (3) |
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4.4 Ornstein-Zernike Relation and the Direct Correlation Function |
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104 | (2) |
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4.5 Thermodynamics from the Radial Distribution Function |
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106 | (9) |
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4.5.1 Compressibility Route |
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106 | (1) |
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107 | (1) |
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108 | (1) |
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4.5.4 Chemical-Potential Route |
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109 | (2) |
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4.5.5 A Master Route: The Free Energy |
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111 | (4) |
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4.6 Extension to Mixtures |
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115 | (7) |
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4.6.1 Thermodynamic Routes |
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118 | (2) |
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120 | (2) |
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4.7 The Thermodynamic Inconsistency Problem |
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122 | (3) |
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123 | (1) |
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123 | (2) |
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5 One-Dimensional Systems: Exact Solution for Nearest-Neighbor Interactions |
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125 | (32) |
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5.1 Nearest-Neighbor and Pair Correlation Functions |
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125 | (3) |
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5.2 Nearest-Neighbor Distribution: Isothermal-Isobaric Ensemble |
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128 | (1) |
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5.3 Exact Radial Distribution Function and Thermodynamic Quantities |
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129 | (2) |
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5.4 Extension to Mixtures |
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131 | (4) |
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133 | (2) |
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135 | (22) |
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135 | (5) |
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140 | (1) |
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5.5.3 Hard Rods and Sticky Hard Rods |
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141 | (5) |
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5.5.4 Mixtures of Nonadditive Hard Rods |
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146 | (7) |
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153 | (2) |
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155 | (2) |
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6 Density Expansion of the Radial Distribution Function and Approximate Integral Equations |
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157 | (46) |
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157 | (1) |
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6.2 External Force: Functional Analysis |
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158 | (1) |
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6.3 Root and Field Points |
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159 | (3) |
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6.4 Expansion of the Pair Correlation Function in Powers of Fugacity |
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162 | (2) |
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6.5 Expansion of the Radial Distribution Function in Powers of Density |
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164 | (4) |
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165 | (3) |
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6.6 Equation of State: Virial Coefficients |
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168 | (2) |
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6.7 Classification of Open Star Diagrams |
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170 | (5) |
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175 | (9) |
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6.8.1 Hypernetted-Chain and Percus-Yevick Approximate Integral Equations |
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176 | (5) |
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6.8.2 A Few Other Closures |
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181 | (1) |
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6.8.3 Linearized Debye-Huckel and Mean Spherical Approximations |
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182 | (2) |
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6.9 Some Thermodynamic Consistency Relations in Approximate Theories |
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184 | (19) |
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6.9.1 Are the Virial-Route HNC and the Compressibility-Route Percus-Yevick Values of the Fourth Virial Coefficient Related? |
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185 | (4) |
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6.9.2 Energy and Virial Routes in the Linearized Debye-Huckel and Mean Spherical Approximations |
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189 | (5) |
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6.9.3 "Energy" Route in Hard-Sphere Liquids |
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194 | (3) |
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197 | (3) |
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200 | (3) |
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7 Exact Solution of the Percus-Yevick Approximation for Hard Spheres ... and Beyond |
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203 | (52) |
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203 | (1) |
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7.2 An Alternative Approach: The Rational-Function Approximation |
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204 | (13) |
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7.2.1 Introduction of G(s) |
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205 | (1) |
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206 | (1) |
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7.2.3 Exact Properties of F(s) for Small s and Large s |
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207 | (2) |
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7.2.4 Construction of the Approximation: Percus-Yevick Solution |
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209 | (8) |
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7.3 Percus-Yevick Approximation for Hard-Sphere and Sticky-Hard-Sphere Mixtures |
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217 | (20) |
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7.3.1 Sticky-Hard-Sphere Mixtures |
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217 | (5) |
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7.3.2 Additive Hard-Sphere Mixtures |
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222 | (3) |
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7.3.3 One-Component Sticky Hard Spheres |
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225 | (12) |
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7.4 Beyond the Percus-Yevick Approximation |
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237 | (18) |
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238 | (2) |
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7.4.2 Square-Well and Square-Shoulder Fluids |
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240 | (7) |
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247 | (4) |
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251 | (4) |
References |
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255 | (12) |
Index |
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267 | |