Elektrood-05E-nvt: Difference between revisions

From Intelligent Materials and Systems Lab

No edit summary
Line 1: Line 1:
= System Description =
= System Description =
5.4% Polymer (2 chains), 62.0% EMI-BF4 (132 ion pairs) 32.6% Carbon (52 platelets)
5.4% Polymer (2 chains), 62.0% EMI-BF4 (132 ion pairs) 32.6% Carbon (52 platelets)
= Simulation conditions =
NVT Simulation in a 40Å^3 box.
Electric field: 5V/0.1mm


= RDF =
= RDF =

Revision as of 09:44, 4 May 2009

System Description

5.4% Polymer (2 chains), 62.0% EMI-BF4 (132 ion pairs) 32.6% Carbon (52 platelets)

Simulation conditions

NVT 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-2x2-nvt-RDF-X-B.png X-F (cation-anion): Elektrood-2x2-nvt-RDF-X-F.png

B-C1 (anion-cation): Elektrood-2x2-nvt-RDF-B-C1.png X-C (cation-carbon): Elektrood-2x2-nvt-RDF-X-C.png

B-C (anion-carbon): Elektrood-2x2-nvt-RDF-B-C.png B-C8 (anion-Teflon): Elektrood-2x2-nvt-RDF-B-C8.png

Coordination sphere radii