Molecular simulations of adsorption and diffusion of RDX in IRMOF-1

Molecular Simulation

Volumn 35, Issue 10-11, 2009, Pages 910-919

  Xiong, Ruichang ^a   Fern, Jared T ^a   Keffer, David J ^a   Fuentes Cabrera, Miguel ^b   Nicholson, Donald M ^c  

^a University of Tennessee Knoxville   (United States)

^b Oak Ridge National Laboratory   (United States)

^c OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

Adsorption; Diffusion; Metal organic framework; Molecular simulation; RDX

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION SITE; BENZENE RING; BOND ANGLE; DENSITY DISTRIBUTIONS; DIFFUSIVITIES; DRY AIR; ENERGY OF ADSORPTION; GASPHASE; GCMC SIMULATION; GRAND CANONICAL MONTE CARLO SIMULATION; HENRY'S LAW CONSTANT; INFINITE DILUTION; METAL ORGANIC FRAMEWORK; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATION; MOLECULAR SIMULATIONS; RDX MOLECULES; SELF-DIFFUSIVITY; TORSION ANGLE; WET AIR;

ACTIVATION ENERGY; ADSORPTION ISOTHERMS; BENZENE; DIFFUSION; EXPLOSIVES DETECTION; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

ADSORPTION;

EID: 73149104900     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020902818013     Document Type: Conference Paper

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