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Adsorption onto zeolites: molecular perspective

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15640%2F21%3A73608075" target="_blank" >RIV/61989592:15640/21:73608075 - isvavai.cz</a>

  • Result on the web

    <a href="https://link.springer.com/article/10.1007%2Fs11696-021-01817-2" target="_blank" >https://link.springer.com/article/10.1007%2Fs11696-021-01817-2</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1007/s11696-021-01817-2" target="_blank" >10.1007/s11696-021-01817-2</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Adsorption onto zeolites: molecular perspective

  • Original language description

    2D minerals are among key elements of advanced systems, but the need for understanding their interactions/reactions with materials and systems in which they are involved necessitates tracking their molecular and atomic monitoring. Zeolitic structures are microporous materials formed in the nature through volcanic activities or synthesis. Because of their outstanding physicochemical properties like cation exchange capacity and excellent adsorption properties, zeolites have found application in diverse chemical processes, e.g., gas adsorption, water purification, and wastewater treatment. Prediction of zeolite performance for a targeted application saves time and expense as such projection could lead to the synthesis of optimum zeolite with adjusted properties. This review paper aims at encapsulating the latest findings on the use of 2D zeolite adsorbents studying three eminent molecular simulation techniques, namely molecular dynamics simulation, density functional theory, and Monte Carlo. Zeolites with precision structures and cost-efficiency for adsorption together with their adsorption capacity were correspondingly discussed in this review. Information gleaned from published reports on simulating zeolites&apos; adsorption properties could bridge with a brief comparison between the techniques mentioned to pave the way for scientists and industries to find the ideal method to predict zeolites performance and select the appropriate zeolite structure for the on-demand application.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>SC</sub> - Article in a specialist periodical, which is included in the SCOPUS database

  • CEP classification

  • OECD FORD branch

    21001 - Nano-materials (production and properties)

Result continuities

  • Project

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2021

  • Confidentiality

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

Data specific for result type

  • Name of the periodical

    Chemical Papers

  • ISSN

    0366-6352

  • e-ISSN

  • Volume of the periodical

    2021

  • Issue of the periodical within the volume

    75

  • Country of publishing house

    CH - SWITZERLAND

  • Number of pages

    23

  • Pages from-to

    6217-6239

  • UT code for WoS article

    000687251900001

  • EID of the result in the Scopus database

    2-s2.0-85112762065