Journal ArticleDOI
The Radial Distribution Function in Liquids
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In this article, an integral equation for the radial distribution function for pairs in a liquid, and an approximate solution is effected for a system of ''hard spheres'' is derived. But the form of the function depends on a single parameter λ which can be related to certain observed physical properties of the liquid and to the diameter of closest approach.Abstract:
In accordance with the general methods of an earlier paper (reference 1) an integral equation is evolved for the radial distribution function for pairs in a liquid, and an approximate solution is effected for a system of ``hard spheres.'' The form of the function depends on a single parameter λ which can be related to certain observed physical properties of the liquid and to the diameter of closest approach. The theoretical function has been calculated for a value of λ appropriate to liquid argon at 90°K, and compared to experimental radial distribution functions derived from x‐ray scattering data.read more
Citations
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Journal ArticleDOI
Equation of State for Hard Spheres
TL;DR: In this paper, simple and exact expressions for the compressibility and pressure equations of state predicted by the Percus-Yevick equation for hard spheres were found for Wainwright and Alder.
Journal ArticleDOI
A kinetic theory of liquids
Max Born,Herbert S. Green +1 more
TL;DR: The solution of the general equations should be established as rigorously as the present knowledge of the fundamental law permits ; the solution of these equations may, however, be obtained by approximations suited to the case.
Journal ArticleDOI
Hidden thermodynamics of mutant proteins: a molecular dynamics analysis.
TL;DR: By exposing the individual contributions, the free energy simulation provides new insights into the origin of thermodynamic changes in mutant proteins and demonstrates the role of effects beyond those usually considered in structural analyses.
Journal ArticleDOI
Understanding shape entropy through local dense packing
TL;DR: It is shown quantitatively that shape drives the phase behavior of systems of anisotropic particles upon crowding through DEFs, and the mechanism that generates directional entropic forces is the maximization of entropy by optimizing local particle packing.
References
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Journal ArticleDOI
Statistical Mechanics of Fluid Mixtures
TL;DR: In this paper, the chemical potentials of the components of gas mixtures and liquid solutions are obtained in terms of relatively simple integrals in the configuration spaces of molecular pairs, and the molecular pair distribution functions appearing in these integrals are investigated in some detail, in their dependence upon the composition and density of the fluid.
Journal ArticleDOI
The Classical Equation of State of Gaseous Helium, Neon and Argon
TL;DR: In this paper, it was shown that the strong repulsion between atoms at close renge, due to the interpentration of complete electron shells, can be represented by a function P(r)e-r/p, where r is separation of the atomic nuclei and P( r) a polynomial in r.
Journal ArticleDOI
Statistical Mechanics of Fusion
TL;DR: A statistical mechanical theory of fusion based upon the use of local free energies is presented in this paper. But this theory is restricted to the case of a set of parameters and is not suitable for all parameters.
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