Abstract
Xenon is considered a great inhalation anesthetic gas. However, its worldwide usage is limited because of its shortage and the related high price. Advanced materials, such as metal–organic frameworks (MOFs), used to recover xenon from an exhaled anesthetic gas may open new opportunities and, consequently, result in reduced anesthetic costs. We used state-of-the-art atomistic simulations to investigate five analogues of well-known Cu-BTC (1,3,5-benzenetricarboxylic acid) MOF and unearthed their potential for being used not only in recovering xenon from exhaled anesthetic gas but also for designing new MOFs for this application. The performance of designed materials is demonstrated by simulating single- and multicomponent adsorption isotherms as well as separation factors such as selectivity, working capacity, and adsorbent performance indicator. In addition, boosting the applicability of selected MOFs through affordable lowering of operation temperature is predicted.
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