Elektrood-03E-npt

From Intelligent Materials and Systems Lab

System Description

2.7% Polymer (1 chain) 61.7% EMI-BF4 (132 ion pairs) 35.6% Carbon (57 platelets)

Simulation conditions

NPT Simulation in a 40Å^3 box. Electric field: 5V/0.1mm

RDF

X is the mass center of the N-C-N-C-C ring of the cation.

X-B (cation-anion): Elektrood-1x2-npt-RDF-X-B.png X-F (cation-anion): Elektrood-1x2-npt-RDF-X-F.png

B-C1 (anion-cation): Elektrood-1x2-npt-RDF-B-C1.png X-C (cation-carbon): Elektrood-1x2-npt-RDF-X-C.png

B-C (anion-carbon): Elektrood-1x2-npt-RDF-B-C.png B-C8 (anion-Teflon): Elektrood-1x2-npt-RDF-B-C8.png

Coordination sphere radii