Solvation of halogens in fluorous phases. Experimental and simulation data for F2, Cl2, and Br2 in several fluorinated liquids.
作者： M. Zupan , J. Iskra , A. A. H. Padua , M. F. Costa Gomes , A. Podgorsek
DOI: 10.1021/JP7121104
关键词:
摘要: The solubility of halogen gases―fluorine, chlorine and bromine―has been determined experimentally in several fluorinated solvents between 283 323 K at atmospheric pressure. was studied perfluorooctane, perfluorohexane, perfluorohexylethane, perfluoromethylcyclohexane, perfluoro-1,3-dimethylcyclohexane, perfluoro-2-butyltetrahydrofuran, perfluoroperhydrophenanthrene found to be on the order 10−2 mole fraction. fluorine 298 is 1 magnitude lower than chlorine. bromine as a function temperature it higher that but same magnitude. experimental studies were complemented by molecular simulation calculations. force fields used for gases taken, when possible, from literature. An intermolecular potential m...
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