Title : ( Molecular dynamic simulation of selectivity and diffusion of isopropyl alcohol /water mixture in Faujasite type zeolite membrane )
Authors: Amirreza Malekzadeh Dirin , َAmirhosein Dashtbozorg , Shirin Kiani , Sousan Gholamrezaei , Ehsan Saljoughi , Seyed Mahmoud Mousavi ,
دانلود فایل برای اعضای دانشگاهAccess to full-text not allowed by authors
Abstract
Molecular dynamics (MD) simulation is a well-known method to predict the membrane efficiency. In this study, the diffusion and selectivity behaviors of water/isopropyl alcohol (IPA) mixture were simulated in the Faujasite (FAU)-type zeolite membrane system based on MD simulation using the NPT and NVT ensembles. The selectivity and diffusion coefficients of water/IPA mixture were also investigated for the zeolite membrane. Although the FAU-type zeolite membrane previously demonstrated good selectivity for water using the water/IPA vapor mixture as the feed, the results of the present study revealed low selectivity for water using the water/IPA liquid mixture.
Keywords
, Molecular dynamics, Membrane, isopropyl alcohol, Diffusion, Selectivity
@inproceedings{paperid:1087971,
author = {Malekzadeh Dirin, Amirreza and Dashtbozorg, َAmirhosein and Kiani, Shirin and سوسن غلامرضایی and Saljoughi, Ehsan and Mousavi, Seyed Mahmoud},
title = {Molecular dynamic simulation of selectivity and diffusion of isopropyl alcohol /water mixture in Faujasite type zeolite membrane},
booktitle = {هفدهمین کنگره ملی مهندسی شیمی ایران},
year = {2021},
location = {مشهد, IRAN},
keywords = {Molecular dynamics; Membrane; isopropyl alcohol; Diffusion; Selectivity},
}
%0 Conference Proceedings
%T Molecular dynamic simulation of selectivity and diffusion of isopropyl alcohol /water mixture in Faujasite type zeolite membrane
%A Malekzadeh Dirin, Amirreza
%A Dashtbozorg, َAmirhosein
%A Kiani, Shirin
%A سوسن غلامرضایی
%A Saljoughi, Ehsan
%A Mousavi, Seyed Mahmoud
%J هفدهمین کنگره ملی مهندسی شیمی ایران
%D 2021
