Journal Article10.1007/BF01127721
Fluids with highly directional attractive forces. III. Multiple attraction sites
1.6K
TL;DR: In this paper, the authors derived a reformulation of statistical thermodynamics for fluids of molecules which interact by highly directional attraction, which consists of a repulsive core and several sites of very short-ranged attraction.
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Abstract: We derive a reformulation of statistical thermodynamics for fluids of molecules which interact by highly directional attraction. The molecular model consists of a repulsive core and several sites of very short-ranged attraction. We explore the relationship between graph cancelation in the fugacity expansion and three types of steric incompatibility between repulsive and attractive interactions involving several molecules. The steric effects are used to best advantage in a limited regrouping of bonds. This controls the density parameters which appear when articulation points are eliminated in the graphical representation. Each density parameter is a singlet density for a species consisting of molecules with a specified set of sites bonded. The densities satisfy subsidiary conditions of internal consistency. These conditions are equivalent to a minimization of the Helmholtz free energyA. Graphical expressions forA and for the pressurep are derived. Analogs of thes-particle direct correlation functions and of the Ornstein-Zernike equation are found.
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Citations
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References
Fluids with highly directional attractive forces. I. Statistical thermodynamics
TL;DR: In this paper, a new formulation of statistical thermodynamics is derived for classical fluids of molecules that tend to associate into dimers and possibly highers-mers due to highly directional attraction, and a breakup of the pair potential into repulsive and highly directionally attractive parts is introduced into the expansion of the logarithm of the grand partition function in fugacity graphs.
1.9K
Fluids with highly directional attractive forces. II. Thermodynamic perturbation theory and integral equations
TL;DR: In this article, two distinct integral equations for the pair correlation were derived, one treating both parts of the interaction approximately; the other one employing the repulsive reference system used in perturbation theory.
1.6K
Fluids with highly directional attractive forces. IV. Equilibrium polymerization
TL;DR: In this paper, the authors used a previously derived reformulation of statistical thermodynamics, in which the particle species are monomeric units with a specified set of attraction sites bonded.
1.5K
Optimized Cluster Expansions for Classical Fluids. II. Theory of Molecular Liquids
David Chandler,Hans C. Andersen +1 more
TL;DR: In this paper, the optimized cluster expansion methods developed in the first article of this series (I) are generalized to apply to molecular fluids, making use of summations of ring and chain cluster diagrams.
1.3K
•Book
The equilibrium theory of classical fluids
H. L. Frisch,Joel L. Lebowitz,Stuart A. Rice +2 more
- 01 Jan 1964
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