Continuum percolation of simple fluids: energetic connectivity criteria

DOI10.1016/S0378-4371(02)01688-6MaRDI QIDQ1867882zbMATH OpenWikidataFDO

Authors Luis A. Pugnaloni, Ileana F. Márquez, Fernando Vericat

Publication date 2 April 2003

Published in Physica A (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/cond-mat/0209534

zbMATH Keywords

integral equation theoryLennard-Jones fluidmolecular dynamics simulation

Mathematics Subject Classification ID

Percolation (82B43) Statistical mechanics of liquids (82D15)

Abstract: During the last few years, a number of works in computer simulation have focused on the clustering and percolation properties of simple fluids based in an energetic connectivity criterion proposed long ago by T.L. Hill [J. Chem. Phys. 23, 617 (1955)]. This connectivity criterion appears to be the most appropriate in the study of gas-liquid phase transition. So far, integral equation theories have relayed on a velocity-averaged version of this criterion. We show, by using molecular dynamics simulations, that this average strongly overestimates percolation densities in the Lennard-Jones fluid making unreliable any prediction based on it. Additionally, we use a recently developed integral equation theory [Phys. Rev. E 61, R6067 (2000)] to show how this velocity-average can be overcome.

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Cites work

• scientific article; zbMATH DE number 46777 (Why is no real title available?)
• scientific article; zbMATH DE number 1776593 (Why is no real title available?)
• MULTI-PARTICLE STRUCTURES IN NON-SEQUENTIALLY REORGANIZED HARD SPHERE DEPOSITS
• Percolation line of self-bound clusters in supercritical fluids

Cited in

(4)

• Continuum percolation of the four-bonding-site associating fluids
• Correlation Functions Characterized by the Physical Cluster Formation due to Attractive Forces
• Percolation line of self-bound clusters in supercritical fluids
• Network forming fluids: Yukawa square-well m-point model

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