Formulation of Enthalpy, Entropy, and Volume Changes Accompanying Association Reaction in Solution in Terms of Molecular Distribution Functions

The ionic properties of the eutectic LiCl-KCl melt are examined in a large range of temperature and density. The radial distribution functions are calculated. It is shown that, although the contribution of the Coulomb energy to the thermodynamic properties decreases at high temperatures it remains always predominant and explains the temperature dependence of the specific heat at constant volume. The diffusion coefficients of Li+, K+ and Cl- are determined. The mechanism of the ionic motion is studied through the memory function formalism. Two types of motion are detected, which arise from binary collisions and from dynamical events which involve a large number of ions. Temperature and volume changes show that the lithium ions remain always surrounded by a more structured atmosphere which hinders their motion. This effect becomes more apparent at high temperature and low density.

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Molecular Distribution Functions in Binary Mixtures

The Notion of Activity in Chemistry ◽

10.1007/978-3-319-46401-5_41 ◽

2016 ◽

pp. 439-442

Author(s):

Jean-Louis Burgot

Keyword(s):

Binary Mixtures ◽

Distribution Functions ◽

Molecular Distribution

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Generalized molecular distribution functions for fluids and occupation probabilities for lattice gases

Journal of Mathematical Physics ◽

10.1063/1.522994 ◽

1976 ◽

Vol 17 (6) ◽

pp. 937-940

Author(s):

A. R. Allnatt

Keyword(s):

Distribution Functions ◽

Lattice Gases ◽

Molecular Distribution

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Virial expansions in an inhomogeneous system

Proceedings of the Royal Society of London Series A - Mathematical and Physical Sciences ◽

10.1098/rspa.1985.0108 ◽

1985 ◽

Vol 402 (1822) ◽

pp. 67-82 ◽

Cited By ~ 33

Keyword(s):

External Field ◽

Isosteric Heat ◽

Distribution Functions ◽

Harmonic Potential ◽

Inhomogeneous System ◽

Pressure Tensor ◽

Arbitrary Size ◽

Molecular Distribution ◽

Grand Potential

The grand potential, the density and the molecular distribution functions are obtained in the form of virial expansions for systems of arbitrary size and inhomogeneity by using an external field to replace the conventional fixed geometric boundaries of a system. The equations are applied first to the calculation of the density and of different representations of the pressure tensor for a system of gaussian (repulsive) molecules in a simple harmonic potential, and, secondly, to obtaining an expression for the isosteric heat of absorption of interacting molecules in the pores of a zeolite.

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