Semi-analytical mean-field model for predicting breathing in metal-organic frameworks

Molecular Simulation

Volumn 41, Issue 16-17, 2015, Pages 1311-1328

  Vanduyfhuys, L ^a   Ghysels, A ^a   Rogge, S M J ^a   Demuynck, R ^a   Van Speybroeck, V ^a  

^a GHENT UNIVERSITY   (Belgium)

Author keywords

breathing; flexible frameworks; metal organic frameworks; osmotic ensemble; thermodynamic model

Indexed keywords

ADSORPTION; CARBON DIOXIDE; CHROMIUM COMPOUNDS; FREE ENERGY; MEAN FIELD THEORY; METAL-ORGANIC FRAMEWORKS; MOLECULES; ORGANOMETALLICS; OSMOSIS; XENON;

ADSORPTION PRESSURE; BREATHING; FLEXIBLE FRAMEWORK; FLEXIBLE MATERIALS; INTERACTION ENERGIES; MEAN FIELD MODELING; OSMOTIC ENSEMBLE; THERMODYNAMIC MODEL;

PHASE EQUILIBRIA;

EID: 84941420226     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2015.1048512     Document Type: Article

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