Xe Recovery from Nuclear Power Plants Off-Gas Streams: Molecular Simulations of Gas Permeation through DD3R Zeolite Membrane

Author:

Bashmmakh Bandar J.1ORCID,Wang Xiaoyu2ORCID,Jameson Cynthia J.3ORCID,Murad Sohail1ORCID

Affiliation:

1. Department of Chemical and Biological Engineering, Illinois Institute of Technology, Chicago, IL 60616, USA

2. Separation Science Group, Argonne National Laboratory, Lemont, IL 60439, USA

3. Department of Chemistry, University of Illinois Chicago, Chicago, IL 60607, USA

Abstract

Recent experimental work has shown zeolite membrane-based separation as a promising potential technology for Kr/Xe gas mixtures due to its much lower energy requirements in comparison to cryogenic distillation, the conventional separation method for such mixtures. Such a separation is also economically rewarding because Xe is in high demand, as a valuable product for many applications/processes. In this work, we have used Molecular Dynamics (MD) simulations to study the effects of different conditions, i.e., temperature, pressure, and gas feed composition, on Kr/Xe separation performance via DD3R zeolite membranes. We provide a comprehensive study of the permeation of the different gas species, density profiles, and diffusion coefficients. Molecular simulations show that if the feed is changed from pure Kr/Xe to an equimolar mixture, the Kr/Xe separation factor increases, which agrees with experiments. In addition, when Ar is introduced as a sweep gas, the adsorption of both Kr and Xe increases, while the permeation of pure Kr increases. A similar behavior is observed with equimolar mixtures of Kr/Xe with Ar as the sweep gas. High-separation Kr/Xe selectivity is observed at 50 atm and 425 K but with low total permeation rates. Changing pressure and temperature are found to have profound effects on optimizing the separation selectivity and the permeation throughput.

Funder

King Abdulaziz University

Publisher

MDPI AG

Subject

Filtration and Separation,Chemical Engineering (miscellaneous),Process Chemistry and Technology

Cited by 1 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Recent membrane separation technology for noble gas recovery;Journal of Materials Chemistry A;2024

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