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Abstract
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.
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Authors (11)
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Azam Salmankhani
- Provincial Key Lab of Pulp and Paper Science and Technology and Joint International Research Lab of Lignocellulosic Functional Materials, Nanjing Forestry University, Nanjing, 210037, China
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Farzad Seidi
- Center of Excellence in Electrochemistry, School of Chemistry, College of Science, University of Tehran, Tehran, Iran
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Amin Hamed Mashhadzadeh
- Mechanical and Aerospace Engineering, School of Engineering and Digital Sciences, Nazarbayev University, 010000, Nur-Sultan, Kazakhstan
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Payam Zarrintaj
- School of Chemical Engineering, Oklahoma State University, 420 Engineering North, Stillwater, OK, 74078, USA
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Sajjad Habibzadeh
- Department of Chemical Engineering, Amirkabir University of Technology (Tehran Polytechnic), Tehran, Iran
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Ahmad Mohaddespour
- College of Engineering and Technology, American University of the Middle East, Kuwait, Egaila 54200, Kuwait
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Navid Rabiee
- Department of Physics, Sharif University of Technology, P.O. Box 11155-9161, Tehran, Iran
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Eder C. Lima
- Institute of Chemistry, Federal University of Rio Grande do Sul (UFRGS), Av. Bento Goncalves 9500, Postal Box, 15003, Porto Alegre, 91501-970, Brazil
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Mohammadreza Shokouhimehr
- Department of Materials Science and Engineering, Research Institute of Advanced Materials, Seoul National University, Seoul, 08826, Republic of Korea
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Rajender S. Varma
- Regional Centre of Advanced Technologies and Materials, Palacky University Olomouc, Šlechtitelů 27, 783 71, Olomouc, Czech Republic
Cite as
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Keywords
Details
- Category:
- Articles
- Type:
- artykuły w czasopismach
- Published in:
-
CHEMICAL PAPERS
no. 75,
pages 6217 - 6239,
ISSN: 0366-6352 - Language:
- English
- Publication year:
- 2021
- Bibliographic description:
- Salmankhani A., Seidi F., Hamed Mashhadzadeh A., Zarrintaj P., Habibzadeh S., Mohaddespour A., Rabiee N., Lima E. C., Shokouhimehr M., Varma R. S., Saeb M.: Adsorption onto zeolites: molecular perspective// CHEMICAL PAPERS -Vol. 75,iss. 12 (2021), s.6217-6239
- DOI:
- Digital Object Identifier (open in new tab) 10.1007/s11696-021-01817-2
- Verified by:
- Gdańsk University of Technology
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