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    Influence of fluorinated extractant aggregation in diluent on extraction of salicylic acid: Evidence from equilibrium, SAXS and molecular dynamics simulation
    (Elsevier Science Inc, 2018) Wu, Xue; Chang, Zhidong; Feng, Jingge; Dang, Hui; Uslu, Hasan; Li, Wenjun
    In order to get optimal extraction performance as well as ultra-low solvent residual, the extraction behavior of tris(2,2,3,3,4,4,4-heptafluorobutyl) phosphate (FTBP) dissolved in 2,3,4,5,6-Pentafluorotoluene (FB) was evaluated to investigate the influence of the aggregation state on the extraction of salicylic acid (SA). The effect of SA distribution and water content on aggregation structure in organic phase was assessed through analysis of SAXS data. Based on molecular dynamic simulation, FTBP tended to aggregate with the existence of FB to accommdate more SA molcules. Water in this case was not the critical factor for aggregation formation due to the hydrophobicity of fluorinated solvents. (C) 2018 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.
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    Öğe
    Synergistic effect of fluorinated hexane as diluent of fluorinated octanol for salicylic acid extraction
    (Elsevier Science Inc, 2018) Wu, Xue; Chang, Zhidong; Yuan, Junchao; Feng, Jingge; Uslu, Hasan; Li, Wenjun
    In order to get optimal extraction performance as well as ultra-low solvent residual, three fluorinated hexane, perfluorohexane (C6F14), 1H-perfluorohexane (C6F13H) and 1H,6H-perfluorohexane (C6F12H2), were evaluated as diluents for synergistic effect on extraction capability of 1H,1H,2H,2H-Perfluorooctan-1-ol by the way of experimental and computational investigation. Based on extraction experiments, C6F14 showed obvious antagonistic effect because of hydrophobic nature, while the synergistic effect of C6F12H2 was better than that of C6F13H. According to DFT calculation, supported by FT-IR and H-1 NMR spectra, the synergistic effect was illustrated as that fluorinated hexane could interact with salicylic acid-fluorinated octanol complex through hydrogen bond. (C) 2017 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.