Latest revision as of 09:22, 22 May 2009

System Description

5.4% Polymer (2 chains), 62.0% EMI-BF4 (132 ion pairs) 32.6% Carbon (52 platelets)

NVT Simulation in a 40Å^3 box. Electric field: 5V/0.1mm

koguenergia: Konfiguratsioonienergia:

Sidemeenergia: Nurgaenergia:

Dihedraalienergia: Coulombi energia:

Temperatuur: Rõhk:

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):

MSD was calculated from the last 2 ns of each simulation.

C (grafiit): C8 (Teflon):

CR (katioon): B (anioon):

Revision as of 16:30, 6 May 2009 (view source) Endel (talk \| contribs) (→‎Coordination sphere radii) ← Older edit	Latest revision as of 09:22, 22 May 2009 (view source) Endel (talk \| contribs) m (Elektrood-2x2-nvt moved to Elektrood-05E-nvt)
(No difference)