On the relationship between the structure of metal-organic frameworks and the adsorption and diffusion of hydrogen

Molecular Simulation

Volumn 37, Issue 7, 2011, Pages 621-639

  Suraweera, Nethika S ^a   Xiong, Ruichang ^a   Luna, J P ^a   Nicholson, Donald M ^b   Keffer, David J ^a  

^a University of Tennessee Knoxville   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

adsorption; diffusion; hydrogen; metal organic framework; molecular simulation

Indexed keywords

ACCESSIBLE VOLUME; ADSORPTION PROCESS; ADSORPTION REGIMES; ADSORPTION SITE; DENSITY DISTRIBUTIONS; ENERGY OF ADSORPTION; GRAND CANONICAL MONTE CARLO SIMULATION; HEATS OF ADSORPTION; HIGHLY-CORRELATED; HYDROGEN ADSORPTION ISOTHERMS; INFINITE DILUTION; INTERMEDIATE REGIMES; ISORETICULAR METAL-ORGANIC FRAMEWORKS; LOW PRESSURES; LOW-PRESSURE CONDITIONS; METAL ORGANIC FRAMEWORK; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR HYDROGEN; MOLECULAR LEVELS; MOLECULAR SIMULATIONS; PATH INTEGRAL; PRESSURE RANGES; SELF-DIFFUSIVITY; STATISTICAL CORRELATION; STRONG CORRELATION; SURFACE AREA;

ACTIVATION ENERGY; BINDING ENERGY; COMPUTER SIMULATION; DIFFUSION; HYDROGEN; MOLECULAR DYNAMICS; MOLECULAR PHYSICS; MONTE CARLO METHODS;

GAS ADSORPTION;

EID: 79958807838     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2011.561432     Document Type: Article

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