Elektrood-03E-nvt: Difference between revisions
From Intelligent Materials and Systems Lab
(New page: = System Description = 3% Polymer (1 chain) % EMI-BF4 (132 ion pairs) % Carbon (57 platelets) = Simulation conditions = NVT Simulation in a 40Å^3 box. Electric field: 5V/0.1mm = Simul...) |
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2.7% Polymer (1 chain) 61.7% EMI-BF4 (132 ion pairs) 35.6% Carbon (57 platelets) | |||
= Simulation conditions = | = Simulation conditions = |
Revision as of 09:32, 4 May 2009
System Description
2.7% Polymer (1 chain) 61.7% EMI-BF4 (132 ion pairs) 35.6% Carbon (57 platelets)
Simulation conditions
NVT Simulation in a 40Å^3 box. Electric field: 5V/0.1mm
Simulation statistics
koguenergia: Konfiguratsioonienergia:
Dihedraalienergia: Coulombi energia:
RDF
X is the mass center of the N-C-N-C-C ring of the cation.
X-B (cation-anion): X-F (cation-anion):
B-C1 (anion-cation): X-C (cation-carbon):
B-C (anion-carbon): B-C8 (anion-Teflon):