Literature DB >> 11969859

Absence of simulation evidence for critical depletion in slit pores.

N B Wilding1, M Schoen.   

Abstract

Recent Monte Carlo simulation studies of a Lennard-Jones fluid confined to a mesoscopic slit pore have reported evidence of "critical depletion" in the pore local number density near the liquid-vapor critical point. In this Brief Report we demonstrate that the observed depletion effect is in fact a simulation artifact arising from small systematic errors associated with the use of long range corrections for the potential truncation. Owing to the large near-critical compressibility, these errors lead to significant changes in the pore local number density. We suggest ways of avoiding similar problems in future studies of confined fluids.

Year:  1999        PMID: 11969859     DOI: 10.1103/physreve.60.1081

Source DB:  PubMed          Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics        ISSN: 1063-651X


  2 in total

1.  Intrusion of fluids into nanogrooves: how geometry determines the shape of the gas-liquid interface.

Authors:  H Bohlen; A O Parry; E Díaz-Herrera; M Schoen
Journal:  Eur Phys J E Soft Matter       Date:  2008-02-27       Impact factor: 1.890

2.  Applicability of Tail Corrections in the Molecular Simulations of Porous Materials.

Authors:  Kevin Maik Jablonka; Daniele Ongari; Berend Smit
Journal:  J Chem Theory Comput       Date:  2019-09-06       Impact factor: 6.006

  2 in total

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