Enhancing proton mobility in polymer electrolyte membranes: Lessons from molecular dynamics simulations

Journal of Physical Chemistry B

Volumn 106, Issue 41, 2002, Pages 10560-10569

  Spohr, E ^a   Commer, P ^a   Kornyshev, A A ^a  

^a FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE DELOCALIZATION; DEGREE OF PROTON CONFINEMENT; MOLECULAR DYNAMICS SIMULATIONS; POLYMER ELECTROLYTE MEMBRANES; PROTON MOBILITY; PROTON TRANSFER; STRUCTURAL DIFFUSION;

CHARGE TRANSFER; COMPUTER SIMULATION; CONDUCTIVE PLASTICS; DIFFUSION; DISSOCIATION; ELECTRON MOBILITY; MOLECULAR DYNAMICS; POLYMERIC MEMBRANES;

POLYELECTROLYTES;

EID: 0037126465     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp020209u     Document Type: Article

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55. The proton diffusion coefficient of simulation IX is the same as that of simulation VII within the error bars. However, the water content of simulation IX is lower than that of simulation VII. On the basis of the found dependence of the proton diffusion coefficient with water content, we would expect a higher proton diffusion coefficient if simulation IX were top be performed at the same water content as simulation VII.