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A Molecular Simulation Study of Adsorption of Nitrogen and Methane in Titanium Silicate (ETS-4)

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F10%3A00338991" target="_blank" >RIV/67985858:_____/10:00338991 - isvavai.cz</a>

  • Alternative codes found

    RIV/44555601:13440/10:00005542

  • Result on the web

  • DOI - Digital Object Identifier

Alternative languages

  • Result language

    angličtina

  • Original language name

    A Molecular Simulation Study of Adsorption of Nitrogen and Methane in Titanium Silicate (ETS-4)

  • Original language description

    Adsorption isotherms of methane and nitrogen in porous titanium silicate ETS-4 are calculated using grand canonical Monte Carlo (GCMC) simulations. Self-diffusion coefficients are determined using molecular dynamics (MD) simulations. Properties for puregases were determined for two of the ideal ETS-4 polymorphs dehydrated at different temperatures, taking into account only the framework atoms of the structure and ignoring the non-framework cations and water molecules. It was observed that equilibrium properties are slightly dependent on the structure selected for idealized polymorphs.

  • 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

    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)

Others

  • Publication year

    2010

  • Confidentiality

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

Data specific for result type

  • Name of the periodical

    Collection of Czechoslovak Chemical Communications

  • ISSN

    0010-0765

  • e-ISSN

  • Volume of the periodical

    75

  • Issue of the periodical within the volume

    2

  • Country of publishing house

    CZ - CZECH REPUBLIC

  • Number of pages

    20

  • Pages from-to

  • UT code for WoS article

    000277125800001

  • EID of the result in the Scopus database