融鹽1-methyl-3-ethylimidazolium trifluoromethane sulfonate (簡稱EMICF3SO3) 與 1-methyl-3-ethylimidazolium bis(trifluoro methanesulfonimide) (簡稱EMITFSI) 在室溫下為無色離子液體，其導電度約為10-2 Scm-1。近來研究發現，混合此二種鹽類後，其導電度比混合律所預測者高。
本篇以動力模擬方法研究EMITFSI 與 EMICF3SO3 之雙元混合系統在363 K之靜態結構與離子導電性質。首先由離子之均方位移求得其在溶液中之擴散係數，並由Nernst-Einstein公式計算導電度。接著利用自由離子出現機率來修正導電度，並使用徑向分佈函數對距離之作圖探討系統內原子的交互作用力。
模擬之導電度值隨EMICF3SO3含量之上升而遞減，與實驗值接近。模擬之結果顯示EMI+離子較喜好與TFSI-離子結合，以致大多數CF3SO3-離子易形成自由離子。離子群內之平均離子數隨著EMICF3SO3含量之增加而遞減。

The molten salts, 1-methyl-3-ethylimidazolium trifluoromethane sulfonate (EMICF3SO3) and 1-methyl-3-ethylimidazolium bis(trifluoromethanylsulfonyl)imide (EMITFSI) are colourless ionic liquids with conductivities on the order of 10-2 Scm-1 at room temperature. Recent studies indicate that the mixing of these two salt resulted in enhanced conductivities which deviated from a simple mixing rule.
The static structures and ionic conductivities of the binary mixture of EMITFSI and EMICF3SO3 at 363 K have been studied by molecular dynamic simulations. The diffusion coefficient of ions was computed firstly from its mean-square displacement. Utilizations were then made of Nernst-Einstein equation to estimate the conductivity. The probability of finding free ions was also calculated to revise the computed conductivity. Finally, the plot of the radial distribution function was used to investigate the interactions of the atoms in the system.
The simulated conductivities decrease with the increase of EMICF3SO3 composition, and agree well with experiment. It is found that EMI+ ion is more likely to associate with TFSI- ions, leaving most of the CF3SO3- ion free to migrate through out the liquid. The average ions per cluster decreases with increasing EMICF3SO3 composition.

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