Molecular dynamic simulation of selectivity and diffusion of isopropyl alcohol /water mixture in Faujasite type zeolite membrane

سال انتشار: 1400
نوع سند: مقاله کنفرانسی
زبان: انگلیسی
مشاهده: 125

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شناسه ملی سند علمی:

NICEC17_182

تاریخ نمایه سازی: 27 دی 1400

چکیده مقاله:

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.

نویسندگان

Amirreza Malekzadeh Dirin

Department of Chemical Engineering, Faculty of Engineering, Ferdowsi University of Mashhad, Mashhad, Iran

Amirhosein Dashtbozorg

Department of Chemical Engineering, Faculty of Engineering, Ferdowsi University of Mashhad, Mashhad, Iran

Shirin Kiani

Department of Chemical Engineering, Faculty of Engineering, Ferdowsi University of Mashhad, Mashhad, Iran

Sousan Gholamrezaei

Institute of Nano Science and Nano Technology, University of Kashan, Kashan, Iran

Ehsan Saljoughi

Department of Chemical Engineering, Faculty of Engineering, Ferdowsi University of Mashhad, Mashhad, Iran

Seyed Mahmoud Mousavi

Department of Chemical Engineering, Faculty of Engineering, Ferdowsi University of Mashhad, Mashhad, Iran