Thermophysical Properties of Fluids: From Realistic to Simple Models and their Applications

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F04%3A00104961" target="_blank" >RIV/67985858:_____/04:00104961 - isvavai.cz</a>

Alternative codes found

RIV/44555601:13440/04:00005501

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Thermophysical Properties of Fluids: From Realistic to Simple Models and their Applications

Original language description

Recent systematic and extensive computer simulations on realistic models of polar and associating fluids have shown that the long-range interactions have only marginal effect on the properties of these fluids. This finding leads to short-range models upon which a perturbation theory may be developed. An attempt to develop a methodology to construct such models (called primitive models) directly from the parent realistic models without resorting to (or reducing at least to minimum) ad hoc adjustments ispresented and exemplified by constructing models of methanol, water, and carbon dioxide. It is shown that the structural properties of the primitive model fluids obtained by means of theoretical considerations only compare well with those of their realistic counterparts.

Czech name

Termofyzikální vlastnosti tekutin: Od realistických modelu k jednoduchým a jejich aplikace

Czech description

Systematické počítačové simulace na realistických modelech polárních a asociujících tekutin ukázaly, že dlouhodosahové interakce mají jenom malý vliv na vlastnosti těchto tekutin. Krátkodosahové modely mohou být proto použity jako referenční systémy v poruchové teorii a byla proto vyvinuta metodolgie získat tyto modely přímo z realistických modelu bez použité ad hoc fitování. Navržená metoda je demonstrována na modelech metanolu, vody a oxidu uhlíku.

Type

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

CEP classification

CH - Nuclear and quantum chemistry, photo chemistry

OECD FORD branch

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Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2004

Confidentiality

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

Name of the periodical

International Journal of Thermophysics

ISSN

0195-928X

e-ISSN

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Volume of the periodical

25

Issue of the periodical within the volume

4

Country of publishing house

US - UNITED STATES

Number of pages

13

Pages from-to

1037-1049

UT code for WoS article

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EID of the result in the Scopus database

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