Group Contribution Method for Predicting Melting Points of Imidazolium and Benzimidazolium Ionic Liquids
نویسندگان
چکیده
منابع مشابه
A group contribution method for viscosity estimation of ionic liquids
Based on experimental viscosity data collected from the literature and using density data obtained from a predictive method previously roposed by the authors, a group contribution method is proposed to estimate viscosity of imidazolium-, pyridinium-, and pyrrolidiniumased ILs containing hexafluorophosphate (PF6), tetrafluoroborate (BF4), bis(trifluoromethanesulfonyl) amide (Tf2N), chloride (Cl)...
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The melting points of several imidazolium-based ionic liquids or ionic liquid analogues were correlated using the CODESSA program in order to develop predictive tools for determination of suitable ionic liquid salts. The data set consisted of melting point data (degrees C) for 104 substituted imidazolium bromides divided on the basis of the N-substituents into three subsets: A-57 compounds, B-2...
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Accurate prediction of melting points of ILs is important both from the fundamental point of view and from the practical perspective for screening ILs with low melting points and broadening their utilization in a wider temperature range. In this work, we present an ab initio approach to calculate melting points of ILs with known crystal structures and illustrate its application for a series of ...
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Degradation of imidazolium ionic liquid, [bmim][TFSA] and iodide solution of [bmim][TFSA] by UV-laser irradiation has been studied through ground state absorption and transient absorption spectroscopy. We found that excited state [bmim] undergoes degradation efficiently. Introduction Room-temperature ionic liquids are receiving considerable attention because of their remarkable properties, such...
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The Raman and infrared spectra of a series of 1-alkyl-3-methylimidazolium tetrafluoroborate ionic liquids ([C2-4MIM][BF4]) are reported and analyzed using Density Functional Theory (DFT) and RHF methods at the 6-311+G(2d,p) computational level. The B3LYP (DFT) and RHF calculations reproduce the vibrational spectra of 1-ethyl-3-methyl imidazolium tetrafluoroborate [EMIM][BF4], 1-propyl-3-methyl ...
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ژورنال
عنوان ژورنال: Industrial & Engineering Chemistry Research
سال: 2009
ISSN: 0888-5885,1520-5045
DOI: 10.1021/ie900347d