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《Journal of Chemical Industry and Engineering(China)》 2004-01
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EXTRACTION EQUILIBRIA BEHAVIOR OF MONOCARBOXYLIC ACIDS BY TRIOCTYLAMINE (Ⅲ) QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP OF APPARENT EXTRACTION EQUILIBRIUM CONSTANT

WANG Min,QIN Wei and DAI Youyuan (The State Key Laboratory of Chemical Engineering, Tsinghua University, Beijing 100084, China)  
Quantitative Structure-Property Relationship (QSPR) is a useful method in predicting physical and chemical properties based on the molecular structure, which has already been used in many fields successfully. In this paper, molecular connectivity indices combined with electronic parameter σ * were used to develop QSPR models for hydrophobicity (lgP) and acidity (pK a) of 11 mono-carboxylic acids. The calculated values were of good consistency with the experimental values of lgP and pK a. Further, the apparent extraction equilibrium constant K 11 was correlated with the above molecule structure parameters and the specific basicity of TOA based on the result of the second part of this paper, and 114 sets of experimental K 11 approached the correlated data well.
【Fund】: 国家自然科学基金资助项目 (No 2 983 613 0 )~~
【CateGory Index】: O658.2
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【Co-references】
Chinese Journal Full-text Database 10 Hits
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5 LI Zhenyu, QIN Wei and DAI Youyuan (The State Key Laboratory of Chemical Engineering,Tsinghua University, Beijing 100084,China);EXTRACTION EQUILIBRIA BEHAVIOR OF MONOCARBOXYLIC ACIDS BY TRIOCTYLAMINE (Ⅱ) APPARENT EXTRACTION EQUILIBRIUM CONSTANT AND CORRELATION[J];Journal of Chemical Industry and Engineering(China);2004-01
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8 Deng Jiahui,Cui Shihai,Peng Panying. College of Chemistry and Environment Science,Nanjing Normal University,Nanjing 210097;;Utilization of wastewater from the production of fumaric acid[J];Environmental Pollution & Control;2004-02
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