An elegant access to formation and vaporization enthalpies of ionic liquids by indirect DSC experiment and %26quot;in silico%26quot; calculations

作者：Verevkin Sergey P^*; Zaitsau Dzmitry H; Emel' yanenko Vladimir N; Schick Christoph; Jayaraman Saivenkataraman; Maginn Edward J

来源：Chemical Communications, 2012, 48(55): 6915-6917.

DOI：10.1039/c2cc31504a

We used DSC for determination of the reaction enthalpy of the synthesis of the ionic liquid [C(4)mim][Cl]. A combination of DSC and quantum chemical calculations presents a new, indirect way to study thermodynamics of ionic liquids. The new procedure was validated with two direct experimental measurements and MD simulations.

• 出版日期2012