Molecular simulation of water/alcohol mixtures' adsorption and diffusion in zeolite 4a membranes

Journal of Physical Chemistry B

Volumn 113, Issue 13, 2009, Pages 4267-4274

  Wu, Jian Yang ^a   Liu, Qing Lin ^a   Xiong, Ying ^a   Zhu, Ai Mei ^a   Chen, Yu ^a  

^a XIAMEN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMICAL REACTIONS; DIFFUSION IN LIQUIDS; ETHANOL; HYDROGEN; HYDROGEN BONDS; METHANOL; ORGANIC POLYMERS; ZEOLITES;

ADSORBED MOLECULES; ADSORPTION EQUILIBRIUM; ADSORPTION OF WATERS; ALCOHOL CONCENTRATIONS; ATOMIC CHARGES; ATOMISTIC SIMULATIONS; CONDENSED-PHASE; DIFFUSION BEHAVIORS; DIFFUSIVITIES; FLEXIBLE MODELS; FORCE FIELDS; HYDROGEN BONDINGS; MASS FRACTIONS; MD SIMULATIONS; METHANOL MOLECULES; MOLECULAR POTENTIALS; MOLECULAR SIMULATIONS; ORDER OF MAGNITUDES; PARTIAL CHARGES; SIMULATION RESULTS; STERIC HINDRANCES; WATER CONCENTRATIONS; WATER MOLECULES; WATER/ETHANOL MIXTURES; ZEOLITE 4A; ZEOLITE-4A MEMBRANES;

MOLECULES;

EID: 65249146178     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp805923k     Document Type: Article

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