Elektrood-05-nvt: Difference between revisions
From Intelligent Materials and Systems Lab
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= RDF = | = RDF = | ||
X is the mass center of the N-C-N-C-C ring of the cation. | |||
X-B (cation-anion): | |||
[[Image:elektrood-2x1-nvt-RDF-X-B.png|320px]] | |||
X-F (cation-anion): | |||
[[Image:elektrood-2x1-nvt-RDF-X-F.png|320px]] | |||
B-C1 (anion-cation): | |||
[[Image:elektrood-2x1-nvt-RDF-B-C1.png|320px]] | |||
X-C (cation-carbon): | |||
[[Image:elektrood-2x1-nvt-RDF-X-C.png|320px]] | |||
B-C (anion-carbon): | |||
[[Image:elektrood-2x1-nvt-RDF-B-C.png|320px]] | |||
B-C8 (anion-Teflon): | |||
[[Image:elektrood-2x1-nvt-RDF-B-C8.png|320px]] | |||
== Coordination sphere radii == | == Coordination sphere radii == | ||
Revision as of 08:52, 4 May 2009
System Description
6% Polymer (2 chain) % EMI-BF4 (132 ion pairs) % 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):
