Ion rejection by nanoporous membranes in pressure-driven molecular dynamics simulations

Journal of Computational and Theoretical Nanoscience

Volumn 6, Issue 8, 2009, Pages 1948-1955

  Leung, Kevin ^a   Rempe, Susan B ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

Electrolytes; Ion channels; Nanopores; Non equilibrium molecular dynamics; Potential of mean force; Pressure driven

Indexed keywords

ATMOSPHERE PRESSURE; BULK WATER; CARBON NANOTUBE MEMBRANES; DIELECTRIC SCREENING; DYNAMICAL EFFECTS; HIGH WATER; ION CHANNELS; ION REJECTION; ION-PAIRING; MODEL MEMBRANES; MOLECULAR DYNAMICS SIMULATIONS; NANOPOROUS MEMBRANE; NEGATIVE CHARGE; NON-EQUILIBRIUM MOLECULAR DYNAMICS; POTENTIAL OF MEAN FORCE; PRESSURE-DRIVEN; WATER FLUX; WATER TRANSPORT;

CARBON NANOTUBES; DYNAMICS; ELECTROLYTES; IONS; MOLECULAR DYNAMICS; PERMEATION; SIMULATORS; THERMAL CONDUCTIVITY;

NANOPORES;

EID: 70350164599     PISSN: 15461955     EISSN: None     Source Type: Journal    
DOI: 10.1166/jctn.2009.1250     Document Type: Article

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