Computational screening of porous metal-organic frameworks and zeolites for the removal of SO2 and NOx from flue gases

AIChE Journal

Volumn 60, Issue 6, 2014, Pages 2314-2323

  Sun, Weizhen ^a,b,c   Lin, Li Chiang ^b   Peng, Xuan ^b,d   Smit, Berend ^b,e  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c School of Information Science and Engineering   (China)

^d BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

^e LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

Adsorbent material; Adsorption separation; Harmful gas removal; Molecular simulation

Indexed keywords

ADSORBENTS; CARBON DIOXIDE; CRYSTALLINE MATERIALS; FLUE GASES; GAS ADSORPTION; MIXTURES; MOLECULAR STRUCTURE; MONTE CARLO METHODS; NITROGEN OXIDES; POROUS MATERIALS; ZEOLITES;

ADSORBENT MATERIALS; ADSORPTION SEPARATION; GAS REMOVAL; GRAND CANONICAL MONTE CARLO SIMULATION; METAL ORGANIC FRAMEWORK; MOLECULAR SIMULATIONS; SIMULTANEOUS REMOVAL; ZEOLITIC IMIDAZOLATE FRAMEWORKS;

SULFUR DIOXIDE;

EID: 84899898649     PISSN: 00011541     EISSN: 15475905     Source Type: Journal    
DOI: 10.1002/aic.14467     Document Type: Article

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