Optimized equation of the state of the square-well fluid of variable range based on a fourth-order free-energy expansion

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F09%3A00022010" target="_blank" >RIV/60461373:22340/09:00022010 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Optimized equation of the state of the square-well fluid of variable range based on a fourth-order free-energy expansion

Original language description

The free energy of square-well (SW) systems of hard-core diameter sigma with ranges 1 <=lambda <= 3 is expanded in a perturbation series. This interval covers most ranges of interest, from short-ranged SW fluids (lambda similar or equal to 1.2) used in modeling colloids to long ranges (lambda similar or equal to 3) where the van der Waals classic approximation holds. The first four terms are evaluated by means of extensive Monte Carlo simulations. The calculations are corrected for the thermodynamic limit and care is taken to evaluate and to control the various sources of error. The results for the first two terms in the series confirm well-known independent results but have an increased estimated accuracy and cover a wider set of well ranges. The results for the third- and fourth-order terms are novel. The free-energy expansion for systems with short and intermediate ranges, 1 <=lambda <= 2, is seen to have properties similar to those of systems with longer ranges, 2 <=lambda <= 3.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

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Continuities

S - Specificky vyzkum na vysokych skolach

Publication year

2009

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Chemical Physics

ISSN

0021-9606

e-ISSN

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Volume of the periodical

130

Issue of the periodical within the volume

2

Country of publishing house

US - UNITED STATES

Number of pages

13

Pages from-to

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UT code for WoS article

000263112600029

EID of the result in the Scopus database

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