Elektrood-05-nvt: Difference between revisions
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= System Description = | = System Description = | ||
5.4% Polymer (2 chains), 62.0% EMI-BF4 (132 ion pairs), 32.6% Carbon (52 platelets) | |||
Simulation conditions: | Simulation conditions: | ||
Revision as of 10:31, 4 May 2009
System Description
5.4% Polymer (2 chains), 62.0% EMI-BF4 (132 ion pairs), 32.6% Carbon (52 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):
