Diffusion of long chain n-alkanes in the metal-organic framework MIL-47(V): A combination of neutron scattering experiments and molecular dynamics simulations

Microporous and Mesoporous Materials

Volumn 164, Issue , 2012, Pages 259-265

  Rives, S ^a,b   Jobic, H ^a   Ragon, F ^c   Devic, T ^c   Serre, C ^c   Ferey G ^c   Ollivier, J ^d   Maurin, G ^b  

^a UNIVERSITÉ LYON 1   (France)

^b UNIV MONTPELLIER   (France)

^c UNIVERSITÉ DE VERSAILLES SAINT QUENTIN EN YVELINES   (France)

^d INSTITUT LAUE LANGEVIN   (France)

Author keywords

Diffusion; Long chain n alkanes; MOF; Molecular dynamics; Quasi elastic neutron scattering

Indexed keywords

CONFORMATIONAL CHANGE; DIFFUSION MECHANISMS; EXPERIMENTAL DIFFUSIVITY; LONG CHAIN N-ALKANES; MD SIMULATION; METAL ORGANIC FRAMEWORK; MOF; MOLECULAR DYNAMICS SIMULATIONS; NEUTRON SCATTERING EXPERIMENTS; QUASI ELASTIC NEUTRON SCATTERING; SELF-DIFFUSION; SILICALITE;

ACTIVATION ENERGY; JAVA PROGRAMMING LANGUAGE; MOLECULAR DYNAMICS; NEUTRON SCATTERING; PARAFFINS;

DIFFUSION;

EID: 84867398118     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.micromeso.2012.06.056     Document Type: Article

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