Solubility of Water in Tetradecyltrihexylphosphonium-Based Ionic Liquids
authors Freire, MG; Carvalho, PJ; Gardas, RL; Santos, LMNBF; Marrucho, IM; Coutinho, JAP
nationality International
journal JOURNAL OF CHEMICAL AND ENGINEERING DATA
keywords ORGANIC-SOLVENTS; COSMO-RS; MUTUAL SOLUBILITIES; PHASE-EQUILIBRIA; AQUEOUS-SOLUTIONS; BINARY-SYSTEMS; AMINO-ACIDS; TEMPERATURE; IMIDAZOLIUM; BEHAVIOR
abstract The solubility of water in tetradecyltrihexylphosphonium-based ionic liquids (ILs) with the bromide, bis(trifluoromethylsulfonyl)imide, bis(2,4,4-trimethylpentyl)phosphinate, chloride, decanoate, and dicyanimide anions was measured at temperatures between (288.15 and 318.15) K and atmospheric pressure. The effect of the nature of the IL anion, as well as the influence of temperature, are analyzed and discussed. From the experimental results, it was found that the anion-induced hydrophobicity increases from bis(2,4,4trimethylpentyl)phosphinate < decanoate < chloride < bromide < dicyanimide < bis(trifluoromethylsulfonyl)imide. COSMO-RS, a predictive method based on unimolecular quantum chemistry calculations, was used to predict the solubility of the water-IL binary systems. COSMO-RS was found to provide fine qualitative and quantitative predictions of the experimental data for extremely hydrophobic ILs. Less accurate predictions were observed with the increase of the anion hydrophilic character.
publisher AMER CHEMICAL SOC
issn 0021-9568
year published 2008
volume 53
issue 10
beginning page 2378
ending page 2382
digital object identifier (doi) 10.1021/je8002805
web of science category Thermodynamics; Chemistry, Multidisciplinary; Engineering, Chemical
subject category Thermodynamics; Chemistry; Engineering
unique article identifier WOS:000259974200020
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journal impact factor 2.196
5 year journal impact factor 2.331
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