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P . S . Whitfield et al . , Solid State lonics 1 8 1 ( 2 0 1 0 ) 7 4 0 suggested

P.S. Whitfield et al., Solid State lonics 181(2010)740 suggested the following phase
diagram
Fig. 5. Composition/temperature phase diagram for the succinonitrile:LiTFSI system
heated from -100C constructed from the XRD data.
Top plot is from experimental data. 2 plots below are from simulation (see chart title). Mol%
is of the LiTSFI content in solid solutions (LiTFSI)x(SN)1-x. whether simulations of
(LiTFSI)x(SN)1-x models using COMPASSIII yield a similar phase diagram as the one
observed experimentally? Explain your criteria for identifying the phase transitions in
these simulations.|
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