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' 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