Self-Assembly of Surfactants in a Supercritical Solvent from Lattice Monte Carlo Simulations.

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F02%3A27020234" target="_blank" >RIV/67985858:_____/02:27020234 - 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

Self-Assembly of Surfactants in a Supercritical Solvent from Lattice Monte Carlo Simulations.

Original language description

We modify Larson's lattice model [J. Chem. Phys. 83, 2411 (1985)] and use it to study self-assembly of surfactants in a supercritical solvent by large-scale Monte Carlo simulations. Carbon dioxide and perfluoroalkylpoly(ethylene oxide) serve as prototypes for the solvent and surfactant, respectively. Larson-model type parameters for carbon dioxide and perfluoroalkylpoly(ethylene oxide) are obtained using experimental values of critical parameters and solubility along with a modified Berthelot combiningrule. We perform canonical Monte Carlo simulations at a supercritical temperature, varying the number of surfactant head and tail segments, the solvent density and the surfactant concentration. Various properties such as the critical micelle concentration, the aggregate size distribution, and the size and shape of the micelles are evaluated and pseudophase diagrams are constructed. We further investigate the ability of the surfactant solutions to dissolve more solute than solutions witho

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

<a href="/en/project/GA203%2F00%2F0600" target="_blank" >GA203/00/0600: Description of thermodynamics properties of fluids at superambient conditions by the methods of applied statistical mechanics</a><br>

Continuities

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

Publication year

2002

Confidentiality

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

Name of the periodical

Journal of Chemical Physics

ISSN

0378-3812

e-ISSN

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Volume of the periodical

116

Issue of the periodical within the volume

3

Country of publishing house

US - UNITED STATES

Number of pages

14

Pages from-to

1171-1184

UT code for WoS article

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EID of the result in the Scopus database

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