Continuity conditions for the radial distribution function of square-well fluids

DOI10.1023/A:1018631109833zbMATH Open0959.82029arXivcond-mat/0004473OpenAlexW3005679944MaRDI QIDQ1581701FDOQ1581701

Authors: L. Acedo 

Publication date: 8 October 2000

Published in: Journal of Statistical Physics (Search for Journal in Brave)

Abstract: The continuity conditions of the radial distribution function g(r) and its close relative the cavity function y(r) are studied in the context of the Percus-Yevick (PY) integral equation for 3D square-well fluids. The cases corresponding to a well width, (w-1)*d, equal to a fraction of the diameter of the hard core, d/m, with m=1,2,3 have been considered. In these cases, it is proved that the function y(r) and its first derivative are everywhere continuous but eventually the derivative of some order becomes discontinuous at the points (n+1)d/m, n=0,1,... . The order of continuity (the highest order derivative of y(r) being continuous at a given point) is found to be proportional to n in the first case (m=1) and to 2*n in the other two cases (m=2,3), for large values of n. Moreover, derivatives of y(r) up to third order are continuous at r=d and r=w*d for w=3/2 and w=4/3 but only the first derivative is continuous for w=2. This can be understood as a non-linear resonance effect.

Full work available at URL: https://arxiv.org/abs/cond-mat/0004473

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zbMATH Keywords

radial distribution functionPercus-Yevick integral equationcavity functionsquare-well fluids

Mathematics Subject Classification ID

Statistical mechanics of gases (82D05) Statistical mechanics of liquids (82D15)

Cited In (3)

• Radial distribution function within the framework of the Tsallis statistical mechanics
• Radial distribution function for sticky hard-core fluids.
• Alternative approaches to the equilibrium properties of hard-sphere liquids

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