期刊
CHEMISTRY OF MATERIALS
卷 28, 期 11, 页码 3887-3896出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.chemmater.6b01132
关键词
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资金
- ExxonMobil Research and Engineering
Solid porous materials such as cationic zeolites have shown great potential in energy-efficient separation processes. Conventional adsorbent design involves ad-hoc and inefficient experimental evaluation of a large structural and compositional space. We developed a computational methodology to screen cationic zeolites for CO2 separation processes with quantitative accuracy, and identified a number of novel high-performing materials. This study enabled us to develop an intuitive design workflow for selecting optimal materials and dramatically accelerate the development of industrially relevant separation processes.
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