Hard-sphere fluids inside spherical, hard pores. Grand canonical ensemble Monte Carlo calculations and integral equation approximations

Peter Sloth

doi:10.1063/1.459141

Hard-sphere fluids inside spherical, hard pores. Grand canonical ensemble Monte Carlo calculations and integral equation approximations

Peter Sloth

Research output: Contribution to journal › Journal article › Research › peer-review

478 Downloads (Pure)

Abstract

Density profiles and partition coefficients are obtained for hard-sphere fluids inside hard, spherical pores of different sizes by grand canonical ensemble Monte Carlo calculations. The Monte Carlo results are compared to the results obtained by application of different kinds of integral equation approximations. Also, some exact, analytical results for the partition coefficients are given, which are valid in the case of (very) small pores or at low density, respectively. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.

Original language	English
Journal	Journal of Chemical Physics
Volume	93
Issue number	2
Pages (from-to)	1292-1298
ISSN	0021-9606
DOIs	https://doi.org/10.1063/1.459141
Publication status	Published - 1990

Bibliographical note

Copyright (1990) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics

Access to Document

10.1063/1.459141

SlothFinal published version, 452 KB

http://link.aip.org/link/?JCPSA6/93/1292/1

OpenUrl availability

Full text

Cite this

@article{bf2f24b4f7e1495c96c4f8fbdbb16885,

title = "Hard-sphere fluids inside spherical, hard pores. Grand canonical ensemble Monte Carlo calculations and integral equation approximations",

abstract = "Density profiles and partition coefficients are obtained for hard-sphere fluids inside hard, spherical pores of different sizes by grand canonical ensemble Monte Carlo calculations. The Monte Carlo results are compared to the results obtained by application of different kinds of integral equation approximations. Also, some exact, analytical results for the partition coefficients are given, which are valid in the case of (very) small pores or at low density, respectively. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.",

author = "Peter Sloth",

note = "Copyright (1990) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics",

year = "1990",

doi = "10.1063/1.459141",

language = "English",

volume = "93",

pages = "1292--1298",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "2",

}

TY - JOUR

T1 - Hard-sphere fluids inside spherical, hard pores. Grand canonical ensemble Monte Carlo calculations and integral equation approximations

AU - Sloth, Peter

N1 - Copyright (1990) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics

PY - 1990

Y1 - 1990

N2 - Density profiles and partition coefficients are obtained for hard-sphere fluids inside hard, spherical pores of different sizes by grand canonical ensemble Monte Carlo calculations. The Monte Carlo results are compared to the results obtained by application of different kinds of integral equation approximations. Also, some exact, analytical results for the partition coefficients are given, which are valid in the case of (very) small pores or at low density, respectively. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.

AB - Density profiles and partition coefficients are obtained for hard-sphere fluids inside hard, spherical pores of different sizes by grand canonical ensemble Monte Carlo calculations. The Monte Carlo results are compared to the results obtained by application of different kinds of integral equation approximations. Also, some exact, analytical results for the partition coefficients are given, which are valid in the case of (very) small pores or at low density, respectively. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.

U2 - 10.1063/1.459141

DO - 10.1063/1.459141

M3 - Journal article

SN - 0021-9606

VL - 93

SP - 1292

EP - 1298

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 2

ER -

Hard-sphere fluids inside spherical, hard pores. Grand canonical ensemble Monte Carlo calculations and integral equation approximations

Abstract

Bibliographical note

Access to Document

OpenUrl availability

Fingerprint

Cite this