Despite the existence of many experimental works related to functionalization of zeolites, there are few articles in which molecular simulation approach has been performed. Among them I didn't find any grafting method to functionalization of zeolites (impregnation technique has been used). What is the problem while it is possible in reality?
The paper as follows might helps you
Gas Processing Journal
Vol. 1 No. 2, April 2013 PP. 22-30
http://uijs.ui.ac.ir/gpj
ISSN (Online): 2345-4172, ISSN (Print): 2322-3251 © 2013 University of Isfahan. All rights reserved
Investigating the Performance of Amine-Grafted Silica-Base Adsorbents .........
M. Gholami1*, M. R. Talaie2 and S. F. Aghamiri3 Department of Chemical Engineering, Faculty of Engineering, University of Isfahan, Iran
Dear Dr. Monajjemi
Thank you so much. In this article the authors have developed a mathematical model to predict adsorption behavior of adsorbents. My problem is to be sure of the possibility of molecular simulation method for zeolite amine grafting.
Dear Dr Mina Sedighi
Yes you are right , but there are some references which are closed to your question in this manuscript
For any further information please contact me via this email
regards
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