Thermochemistry of ammonium based ionic liquids: Tetra-alkyl ammonium nitrates - Experiments and computations

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• 作者：Sergey P. Verevkin^a ; ^{sergey.verevkin@uni-rostock.de} ; Vladimir N. Emel&rsquo ; yanenko^a ; Ingo Krossing^b ; Roland Kalb^c
• 关键词：Ionic liquids ; Combustion calorimetry ; Enthalpy of formation ; Enthalpy of vaporization ; Enthalpy of fusion ; Solution calorimetry ; Enthalpy of solution ; Differential scanning calorimertry ; First-principles calculations
• 刊名：Journal of Chemical Thermodynamics
• 出版年：2012
• 期刊代码：123_00219614
• 类别：ch
• 出版时间：August, 2012
• 卷：51
• 期：Complete
• 页码：107-113
• 文件大小：479 K

摘要

In this work data of the molar enthalpies of formation of the ionic liquids [R₄N][NO₃] were measured by means of combustion calorimetry. The thermal behavior of [R₄N][NO₃] was studied using differential scanning calorimetry. First-principles calculations of the enthalpy of formation in the gaseous phase have been performed for the ionic species using the G3(MP2) theory. Enthalpies of formation of aqueous tetra-alkyl ammonium ions ([R₄N]⁺_(aq)) derived in this work are useful for prediction thermochemical properties of the ammonium based ionic liquids.