In:
Advanced Theory and Simulations, Wiley, Vol. 5, No. 2 ( 2022-02)
Abstract:
The problem of ever‐increasing industrial demand versus the supply shortage of helium (He) is inevitably encountered by scientists worldwide. Membrane‐based separation technology provides an economical method to alleviate the current He scarcity. In this study, using a combination of first‐principles calculations and molecular dynamics simulations, it is theoretically demonstrated that the phosphorus carbide membrane P 2 C 3 possesses high efficiency in He separation from the natural gas (H 2 , N 2 , CO, H 2 O, CO 2 , and CH 4 ) and other noble gas atoms (Ne and Ar). In addition, the He permeance exceeds 10 –4 mol m –2 s –1 Pa –1 over a wide range of temperatures (200–500 K), which is far beyond the industrially acceptable value. Combining the zero‐point‐energy and quantum tunneling effects, the quantum analysis shows that the P 2 C 3 membrane has great potential for 3 He/ 4 He isotope separation, thus providing a combined means for both He and 3 He isotope separation. The results uncover a new solution of utilizing P 2 C 3 nanomaterial as a novel medium for gas treatment and the findings of this study will promote experimental efforts in the future.
Type of Medium:
Online Resource
ISSN:
2513-0390
,
2513-0390
DOI:
10.1002/adts.202100327
Language:
English
Publisher:
Wiley
Publication Date:
2022
detail.hit.zdb_id:
2894557-8
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