Rigorous Basis of the Frenkel-Band Theory of Association Equilibrium

Frank H. Stillinger

doi:10.1063/1.1776907

journal article Apr 01, 1963

Rigorous Basis of the Frenkel-Band Theory of Association Equilibrium

Frank H. Stillinger

The Journal of Chemical Physics Vol. 38 No. 7 pp. 1486-1494 · AIP Publishing

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Abstract

By means of the general theory of the classical grand ensemble, the complete formal relations for pressure and number of molecules in an open system, as a function of activity, are derived without approximation within the scheme of the Frenkel-Band equilibrium cluster theory of association. The physical clusters, defined geometrically by overlap of spheres drawn about each molecule, are not regarded as statistically independent, but their mutual exclusion property gives rise to free energies of formation work for cavities necessary to contain those clusters. A connection is established between these free energies and a suitable generalization of the Mayer irreducible cluster sum. The appropriate modification of the theory to include external forces (such as the gravitational field) is displayed. A rigorous expansion of molecular distribution functions in terms of physical (rather than Ursell-Mayer) cluster integrals is also presented.

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Details

Published: Apr 01, 1963
Vol/Issue: 38(7)
Pages: 1486-1494

Authors

F

Frank H. Stillinger

Bell Telephone Laboratories, Inc., Murray Hill, New Jersey

Cite This Article

Frank H. Stillinger (1963). Rigorous Basis of the Frenkel-Band Theory of Association Equilibrium. The Journal of Chemical Physics, 38(7), 1486-1494. https://doi.org/10.1063/1.1776907

Rigorous Basis of the Frenkel-Band Theory of Association Equilibrium

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