Elektrood-03-nvt: Difference between revisions
From Intelligent Materials and Systems Lab
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= System Description = | = System Description = | ||
2.7% Polymer (1 chain) 61.7% EMI-BF4 (132 ion pairs) 35.6% Carbon (57 platelets) | |||
Simulation conditions: | Simulation conditions: | ||
= Simulation conditions = | = Simulation conditions = | ||
Revision as of 09:24, 4 May 2009
System Description
2.7% Polymer (1 chain) 61.7% EMI-BF4 (132 ion pairs) 35.6% Carbon (57 platelets) Simulation conditions:
Simulation conditions
NVT Simulation in a 40Å^3 box. No electric field applied.
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):
