Accurate thermochemical properties of energetic materials applications. II. Heats of formation of imidazolium-, 1,2,4-triazolium-, and tetrazolium-based energetic salts from isodemic and lattice energy calculations

Article Abstract:

A calculation technique based on isodemic approach to forecast the heats of formation of solid-state energetic salts like substituted imidazole, 1,2,4-triazole, and tetrazole molecules and ions comprising of amino, azido, and nitro substituents, is presented. It is suggested that the energetic salts with the highest positive heat of formations forecasted are for azido-containing cations, coupled with heterocyclic anions comprising nitro substituents.

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Estimation of physiochemical properties of ionic liquid [C.sub.6]MIGa[Cl.sub.4] using surface tension and density

Article Abstract:

The preparation of an ionic liquid (IL) [C.sub.6]MIGa[Cl.sub.4] (1-methyl-3-hexylimidazolium chlorogallate) by directly mixing Ga[Cl.sub.3] and 1-methyl-3-hexylimidazolium chloride with molar ratio of 1/1 under dry argon is described. The thermal expansion coefficient of the [C.sub.6]MIGa[Cl.sub.4] were computed and compared with empirical values.

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Excess thermodynamic properties in mixtures of a representative room-temperature ionic liquid and acetonitrile

Article Abstract:

The excess volume and compressibility properties in 1-butyl-3-methyl imidazolium tetrafluoroborate [BMIM][B[F.sub.4]]/acetonitrile (C[H.sub.3]CN) mixtures over the whole concentration range and in a wide temperature interval is discussed.

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