Advanced Monte Carlo simulations of the adsorption of chiral alcohols in a homochiral metal-organic framework

AIChE Journal

Volumn 60, Issue 6, 2014, Pages 2324-2334

  Qiao, Zhiwei ^a,b   Torres Knoop, Ariana ^c   Dubbeldam, David ^c   Fairen Jimenez, David ^b,d   Zhou, Jian ^a   Snurr, Randall Q ^b  

^a SOUTH CHINA UNIVERSITY OF TECHNOLOGY   (China)

^b Northwestern University   (United States)

^c UNIVERSITY OF AMSTERDAM   (Netherlands)

^d UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Butanol; Chiral separation; Enantioselectivity; Metal organic framework; Molecular simulation

Indexed keywords

ADSORPTION; BUTENES; CHIRALITY; CRYSTALLINE MATERIALS; ENANTIOSELECTIVITY; MONTE CARLO METHODS;

CHIRAL SEPARATIONS; ENANTIOSELECTIVE ADSORPTION; GRAND CANONICAL MONTE CARLO SIMULATION; HOMOCHIRAL METAL-ORGANIC FRAMEWORKS; HYBRID ORGANIC-INORGANIC; METAL ORGANIC FRAMEWORK; MOLECULAR SIMULATIONS; PARALLEL TEMPERING;

STEREOCHEMISTRY;

INSECTIVORA;

EID: 84899909902     PISSN: 00011541     EISSN: 15475905     Source Type: Journal    
DOI: 10.1002/aic.14415     Document Type: Article

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