Computation of the hindrance factor for the diffusion for nanoconfined ions: Molecular dynamics simulations versus continuum-based models

Molecular Physics

Volumn 110, Issue 11-12, 2012, Pages 1107-1114

  Zhu, Haochen ^a,b   Ghoufi, Aziz ^b,c   Szymczyk, Anthony ^a,b   Balannec, Béatrice ^a,b   Morineau, Denis ^b,c  

^a UNIVERSITÉ DE RENNES 1   (France)

^b UNIVERSITÉ EUROPÉENNE DE BRETAGNE   (France)

^c UNIVERSITÉ DE RENNES 1   (France)

Author keywords

continuum based models; MD simulations; nanofiltration; self diffusion

Indexed keywords

CONTINUUM-BASED MODELS; HYDRATED SILICA; HYDROPHILIC SILICA; MACROSCOPIC HYDRODYNAMICS; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; PROTONATED; QUANTITATIVE AGREEMENT; SELF-DIFFUSION; SELF-DIFFUSION COEFFICIENTS;

DIFFUSION; MOLECULAR DYNAMICS; NANOFILTRATION; SILICA;

COMPUTER SIMULATION;

EID: 84862511318     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2011.645896     Document Type: Conference Paper

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