Monte-Carlo determination of adiabatic compressibility of hard spheres. Issue 12 (12th August 2020)

• Record Type: Journal Article
• Authors: Grigoriev, A. N.; Kleshchonok, T. V.; Markov, I. V.; Bulavin, L. A.
• Is Part Of: Molecular simulation. Volume 46:Issue 12(2020)
• Page Start: 905
• Page End: 910
• Publication Date: 2020-08-12
• Subjects: Isobaric-isoenthalpic ensemble -- adiabatic compressibility -- hard-sphere fluid; Molecular dynamics -- Computer simulation -- Periodicals; Statistical mechanics -- Computer simulation -- Periodicals; 539.6
• DOI: 10.1080/08927022.2020.1789124
• Languages: English
• ISSNs: 0892-7022

Abstract

ABSTRACT: We analyze numerical methods for the determination of the adiabatic compressibility of fluids in computer experiments. Some of them like the Monte-Carlo (MC) method in constant pressure ensembles can be applied for particles which interact through hard-core potentials. We calculate adiabatic compressibility and sound velocity at different pressures for the hard-sphere fluid using conventional MC method in two ensembles: isothermal and adiabatic (isothermal-isobaric and isobaric-isoenthalpic). We show that the accuracy of adiabatic compressibility of the hard-sphere fluid is the same both for the isobaric-isoenthalpic and isothermal-isobaric- ensembles.