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

The result's identifiers

  • 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

  • DOI - Digital Object Identifier

Alternative languages

  • 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

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    CF - Physical chemistry and theoretical chemistry

  • OECD FORD branch

Result continuities

  • 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)

Others

  • Publication year

    2002

  • Confidentiality

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

Data specific for result type

  • Name of the periodical

    Journal of Chemical Physics

  • ISSN

    0378-3812

  • e-ISSN

  • 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

  • EID of the result in the Scopus database