Article ID Journal Published Year Pages File Type
216070 The Journal of Chemical Thermodynamics 2012 7 Pages PDF
Abstract

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 ΔfHm° ([R4N]+(aq)) derived in this work are useful for prediction thermochemical properties of the ammonium based ionic liquids.

► Gaseous enthalpies of formation of [R4N][NO3] were derived from experiment. ► We used combustion, solution, and differential scanning calorimetry. ► First-principles calculations used to test consistency of experimental data. ► Enthalpies of formation of aqueous alkylammonium cations were derived. ► The latter suggested for prediction thermochemistry of ammonium based ionic liquids.

Related Topics
Physical Sciences and Engineering Chemical Engineering Chemical Engineering (General)
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