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Monte-Carlo integration for virial coefficients re-visited : Hard convex bodies, spheres with a square-well potential and mixtures of hard spheres. / Vlasov, A. Yu; You, X. M.; Masters, Andrew J.

In: Molecular Physics, Vol. 100, No. 20, 20.10.2002, p. 3313-3324.

Research output: Contribution to journal › Article › peer-review

Harvard

Vlasov, AY, You, XM & Masters, AJ 2002, 'Monte-Carlo integration for virial coefficients re-visited: Hard convex bodies, spheres with a square-well potential and mixtures of hard spheres', Molecular Physics, vol. 100, no. 20, pp. 3313-3324. https://doi.org/10.1080/00268970210153754

APA

Vlasov, A. Y., You, X. M., & Masters, A. J. (2002). Monte-Carlo integration for virial coefficients re-visited: Hard convex bodies, spheres with a square-well potential and mixtures of hard spheres. Molecular Physics, 100(20), 3313-3324. https://doi.org/10.1080/00268970210153754

Vancouver

Vlasov AY, You XM, Masters AJ. Monte-Carlo integration for virial coefficients re-visited: Hard convex bodies, spheres with a square-well potential and mixtures of hard spheres. Molecular Physics. 2002 Oct 20;100(20):3313-3324. https://doi.org/10.1080/00268970210153754

Author

Vlasov, A. Yu ; You, X. M. ; Masters, Andrew J. / Monte-Carlo integration for virial coefficients re-visited : Hard convex bodies, spheres with a square-well potential and mixtures of hard spheres. In: Molecular Physics. 2002 ; Vol. 100, No. 20. pp. 3313-3324.

BibTeX

@article{1563724ae8ca4f5a9ad5d11c88061e5f,
title = "Monte-Carlo integration for virial coefficients re-visited: Hard convex bodies, spheres with a square-well potential and mixtures of hard spheres",
abstract = "Techniques to adapt the hit-and-miss Monte-Carlo numerical integration are proposed with the aim to determine virial coefficients up to eighth order in fluids of hard convex bodies, hard spheres with an attractive square-well potential and a two-component mixture of hard spheres. These algorithms make use of look-up tables of all the blocks contributing to the coefficients. Each type of block is represented in the tables by several entries. These correspond to all possible topologically equivalent graphs that can be generated by the Monte-Carlo process. This rendered the Monte-Carlo method statistically more efficient. In the case of a two-component system the look-up tables had to have representations of blocks having two sorts of vertices. The reported data are: improved values of the seventh and eighth virial coefficients for hard spheres, the sixth, seventh and eighth coefficients of spheroids, spherocylinders and cut-spheres, fifth virial coefficient of spheres with a square-well potential of relative range 1.25; 1.5; 1.75 and 2.0 and the partial contributions of the sixth virial coefficient for a mixture of hard spheres with the size ratio 0.1.",
author = "Vlasov, {A. Yu} and You, {X. M.} and Masters, {Andrew J.}",
year = "2002",
month = oct,
day = "20",
doi = "10.1080/00268970210153754",
language = "English",
volume = "100",
pages = "3313--3324",
journal = "Molecular Physics",
issn = "0026-8976",
publisher = "Taylor & Francis",
number = "20",

}

RIS

TY - JOUR

T1 - Monte-Carlo integration for virial coefficients re-visited

T2 - Hard convex bodies, spheres with a square-well potential and mixtures of hard spheres

AU - Vlasov, A. Yu

AU - You, X. M.

AU - Masters, Andrew J.

PY - 2002/10/20

Y1 - 2002/10/20

N2 - Techniques to adapt the hit-and-miss Monte-Carlo numerical integration are proposed with the aim to determine virial coefficients up to eighth order in fluids of hard convex bodies, hard spheres with an attractive square-well potential and a two-component mixture of hard spheres. These algorithms make use of look-up tables of all the blocks contributing to the coefficients. Each type of block is represented in the tables by several entries. These correspond to all possible topologically equivalent graphs that can be generated by the Monte-Carlo process. This rendered the Monte-Carlo method statistically more efficient. In the case of a two-component system the look-up tables had to have representations of blocks having two sorts of vertices. The reported data are: improved values of the seventh and eighth virial coefficients for hard spheres, the sixth, seventh and eighth coefficients of spheroids, spherocylinders and cut-spheres, fifth virial coefficient of spheres with a square-well potential of relative range 1.25; 1.5; 1.75 and 2.0 and the partial contributions of the sixth virial coefficient for a mixture of hard spheres with the size ratio 0.1.

AB - Techniques to adapt the hit-and-miss Monte-Carlo numerical integration are proposed with the aim to determine virial coefficients up to eighth order in fluids of hard convex bodies, hard spheres with an attractive square-well potential and a two-component mixture of hard spheres. These algorithms make use of look-up tables of all the blocks contributing to the coefficients. Each type of block is represented in the tables by several entries. These correspond to all possible topologically equivalent graphs that can be generated by the Monte-Carlo process. This rendered the Monte-Carlo method statistically more efficient. In the case of a two-component system the look-up tables had to have representations of blocks having two sorts of vertices. The reported data are: improved values of the seventh and eighth virial coefficients for hard spheres, the sixth, seventh and eighth coefficients of spheroids, spherocylinders and cut-spheres, fifth virial coefficient of spheres with a square-well potential of relative range 1.25; 1.5; 1.75 and 2.0 and the partial contributions of the sixth virial coefficient for a mixture of hard spheres with the size ratio 0.1.

UR - http://www.scopus.com/inward/record.url?scp=0037145613&partnerID=8YFLogxK

U2 - 10.1080/00268970210153754

DO - 10.1080/00268970210153754

M3 - Article

AN - SCOPUS:0037145613

VL - 100

SP - 3313

EP - 3324

JO - Molecular Physics

JF - Molecular Physics

SN - 0026-8976

IS - 20

ER -

ID: 35872005