Biofuel purification in GME zeolitic-imidazolate frameworks: From ab initio calculations to molecular simulations

AIChE Journal

Volumn 61, Issue 9, 2015, Pages 2763-2775

  Zhang, Kang ^a   Gupta, Krishna M ^a   Chen, Yifei ^a   Jiang, Jianwen ^a  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

Adsorption; Biofuel; Modeling; Separation; Zeolitic imidazolate frameworks

Indexed keywords

ADSORPTION; ADSORPTION ISOTHERMS; BINDING ENERGY; BIOFUELS; ETHANOL; HYDROGEN; HYDROGEN BONDS; MODELS; PURIFICATION; SEPARATION;

AB INITIO CALCULATIONS; ADSORPTION OF ETHANOL; ETHANOL/WATER MIXTURES; HEATS OF ADSORPTION; MOLECULAR SIMULATIONS; MULTI-SCALE MODELING; SEPARATION OF ETHANOL; ZEOLITIC IMIDAZOLATE FRAMEWORKS;

CALCULATIONS;

EID: 84938582475     PISSN: 00011541     EISSN: 15475905     Source Type: Journal    
DOI: 10.1002/aic.14787     Document Type: Article

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