MD simulation studies for effect of membrane structures and dynamics on gas permeation properties through microporous amorphous silica membranes

Desalination

Volumn 233, Issue 1-3, 2008, Pages 333-341

  Yoshioka, Tomohisa ^a   Yasumoto, Akinori ^a   Kishi, Kouhei ^a   Tsuru, Toshinori ^a  

^a HIROSHIMA UNIVERSITY   (Japan)

Author keywords

Amorphous structure; Gas permeation; Molecular dynamics; Silica membrane

Indexed keywords

ACTIVATION ENERGY; CAPILLARITY; DYNAMICS; FLEXIBLE STRUCTURES; GAS PERMEABILITY; GASES; HELIUM; INERT GASES; LIQUIDS; MEMBRANES; MOLECULAR DYNAMICS; OXIDES; OXYGEN; PERMEATION; QUANTUM CHEMISTRY; SEMICONDUCTOR DOPING; SILICA;

ACTIVATED DIFFUSIONS; AMORPHOUS SILICAS; AMORPHOUS STRUCTURE; DENSITY MODELS; DUAL CONTROLS; EQUILIBRIUM MOLECULAR DYNAMICS; GAS PERMEATION; GAS PERMEATION PROPERTIES; GAS PERMEATIONS; GAS SPECIES; GREAT-ER; KNUDSEN DIFFUSIONS; MD SIMULATIONS; MEAN PORE SIZES; MEMBRANE DYNAMICS; MEMBRANE POTENTIALS; MEMBRANE STRUCTURES; MICROPOROUS; OXYGEN ATOMS; SILANOL GROUPS; SILICA MEMBRANE; SILOXANE BONDS; SW POTENTIALS; TEMPERATURE DEPENDENCIES;

GAS PERMEABLE MEMBRANES;

AMORPHOUS MEDIUM; COMPUTER SIMULATION; GAS FLOW; MEMBRANE; PARAMETERIZATION; PERMEABILITY; PORE SPACE; SILICA; TEMPERATURE EFFECT;

EID: 54449097041     PISSN: 00119164     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.desal.2007.09.059     Document Type: Article

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