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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Revision as of 01:19, 4 May 2009
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
Simulation statistics
koguenergia:
Konfiguratsioonienergia:
Sidemeenergia:
Nurgaenergia:
Dihedraalienergia:
Coulombi energia:
Temperatuur:
Rõhk:
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):
