Differences in the adsorption and diffusion behaviour of water and non-polar gases in nanoporous carbon: Role of cooperative effects of pore confinement and hydrogen bonding

Molecular Simulation

Volumn 41, Issue , 2015, Pages 432-445

  Farmahini, Amir H ^a   Bhatia, Suresh K ^a  

^a UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

activation energy barrier; molecular dynamics; self diffusion; water cluster

Indexed keywords

ACTIVATED CARBON; ACTIVATION ENERGY; AMORPHOUS CARBON; CARBON FIBERS; DIFFUSION IN LIQUIDS; ENERGY BARRIERS; GASES; HYDROGEN; HYDROGEN BONDS; MICROPOROSITY; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; SILICON CARBIDE; ADSORBATES; ADSORPTION; AMORPHOUS MATERIALS; CHEMICAL ACTIVATION; DIFFUSION; GAS ADSORPTION; INTELLIGENT SYSTEMS; IONIZATION OF GASES;

ADSORPTION BEHAVIOUR; CARBIDE DERIVED CARBON; ISOSTERIC HEAT OF ADSORPTION; MICRO-POROUS STRUCTURE; MOLECULAR PROPERTIES; REVERSE MONTE CARLO SIMULATION; SELF-DIFFUSION; WATER CLUSTER;

GAS ADSORPTION; DIFFUSION BARRIERS;

EID: 84922653093     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2014.976640     Document Type: Article

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