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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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    Strategy for extractant residual reduction: Experimental and computational investigation of fluorinated phosphate
    (Elsevier Science Bv, 2017) Wu, Xue; Chang, Zhidong; Blamo, Benjamin John; Yuan, Junchao; Uslu, Hasan; Li, Wenjun; Ryong, Choe Chol
    Extractant residual in water phase is a destined and disgusted consequence after solvent extraction operation. In order to reduce extractant residual in aqueous phase, extractants modified by fluorination were probed. In this paper, tri-n-amylphosphate (TAP) was selected as model extractant along with its fluorinated analogue, tris (2,2,3,3,4,4,5,5-octafluoropentyl) phosphate (FTAP), to extract the salicylic acid from its aqueous solution to investigate residual and extraction behaviors by both experimental and computational methods. The experimental results obtained from multiple light scattering revealed that FTAP barely interacted with water and possessed high hydrophobicity. The solubility of FTAP in aqueous phase was less than 6.0 x 10(-5) (w/w), and declined with increase of temperature, which was similar to the nature of nonionic surfactant. In acid solution with high concentration, the solubility of FTAP remained quite low. The one-step extraction efficiency of FTAP on salicylic acid was approximately 85%. The cycling experimental results showed that the durability of FTAP was overwhelmingly excellent compared with that of TAP, especially after the cycles more than 10 times. DFT calculation demonstrated the hydrophobicity and extraction behavior at molecular level. All results implied that fluorinated modification of extractant was a possible way to reduce its loss in aqueous phase. (C) 2017 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.