On the determination of orientational configurational temperature from computer simulation

Ariel A. Chialvo; J. M. Simonson; P. T. Cummings; P. G. Kusalik

doi:10.1063/1.1357792

On the determination of orientational configurational temperature from computer simulation

Ariel A. Chialvo^*
, J. M. Simonson
, P. T. Cummings
, P. G. Kusalik

^*Corresponding author for this work

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

12 Citations (Scopus)

Abstract

An alternative derivation of an expression to determine the orientational configurational temperature for open systems is presented. For demonstration purposes, its evaluation in a standard computer (MD or MC) simulation of a molecular liquid is discussed.

Original language	English
Pages (from-to)	6514-6517
Number of pages	4
Journal	Journal of Chemical Physics
Volume	114
Issue number	15
DOIs	https://doi.org/10.1063/1.1357792
Publication status	Published - 15 Apr 2001

Keywords

Molecular liquids
Computer simulation

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1357792

Cite this

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title = "On the determination of orientational configurational temperature from computer simulation",

abstract = "An alternative derivation of an expression to determine the orientational configurational temperature for open systems is presented. For demonstration purposes, its evaluation in a standard computer (MD or MC) simulation of a molecular liquid is discussed.",

keywords = "Molecular liquids, Computer simulation",

author = "Chialvo, \{Ariel A.\} and Simonson, \{J. M.\} and Cummings, \{P. T.\} and Kusalik, \{P. G.\}",

year = "2001",

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day = "15",

doi = "10.1063/1.1357792",

language = "English",

volume = "114",

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journal = "Journal of Chemical Physics",

issn = "0021-9606",

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T1 - On the determination of orientational configurational temperature from computer simulation

AU - Chialvo, Ariel A.

AU - Simonson, J. M.

AU - Cummings, P. T.

AU - Kusalik, P. G.

PY - 2001/4/15

Y1 - 2001/4/15

N2 - An alternative derivation of an expression to determine the orientational configurational temperature for open systems is presented. For demonstration purposes, its evaluation in a standard computer (MD or MC) simulation of a molecular liquid is discussed.

AB - An alternative derivation of an expression to determine the orientational configurational temperature for open systems is presented. For demonstration purposes, its evaluation in a standard computer (MD or MC) simulation of a molecular liquid is discussed.

KW - Molecular liquids

KW - Computer simulation

UR - https://www.scopus.com/pages/publications/0035870555

U2 - 10.1063/1.1357792

DO - 10.1063/1.1357792

M3 - Article

AN - SCOPUS:0035870555

SN - 0021-9606

VL - 114

SP - 6514

EP - 6517

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 15

ER -

On the determination of orientational configurational temperature from computer simulation

Abstract

Keywords

ASJC Scopus subject areas

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