Abraham Model Expressions for Describing Water-to-Diethylene Glycol and Gas-to-Diethylene Glycol Solute Transfer Processes at 298.15 K
Abraham Model Expressions for Describing Water-to-Diethylene Glycol and Gas-to-Diethylene Glycol Solute Transfer Processes at 298.15 K
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用于描述 298.15 K 下水到二甘醇和气体到二甘醇溶质转移过程的 Abraham 模型表达式
DOI：
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发表时间：
2017
影响因子：
1.2
通讯作者：
M. Abraham
中科院分区：
文献类型：
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作者：
I. Sedov;T. Magsumov;Erin Hart;Elizabeth Higgins;Damini Grover;H. Zettl;M. Zad;W. Acree;M. Abraham
采用气相色谱顶空分析法测定了14种脂肪烃和环烃的气液分配系数和无限稀释活度比（烷烃，环烷烃，烯烃，炔），八种不同的芳香族化合物（苯，烷基苯，卤代苯），五种不同的氯代烷烃（二氯甲烷、三氯甲烷、1-氯丁烷、1，2-二氯丙烷、异丙基溴）、四氢呋喃、乙酸丁酯和乙腈在298.15 K下溶解于二甘醇中。溶解度也测定了在298.15 K的31结晶非电解质有机溶质，包括几个多环芳烃和取代苯甲酸衍生物。使用标准热力学关系将顶空色谱和光谱溶解度测量的实验结果转换为气体与二甘醇和水与二甘醇的分配系数以及摩尔溶解度比。从计算的分配系数和溶解度比导出溶质转移到二甘醇的表达式。基于Abraham模型的数学相关性将观察到的分配系数和溶解度数据描述为在0.14 log 10单位（或更小）内。
A gas chromatographic headspace analysis method was used to experimentally determine gas-to-liquid partition coefficients and infinite dilution activity dilution for 14 different aliphatic and cyclic hydrocarbons (alkanes, cycloalkanes, alkenes, alkynes), eight different aromatic compounds (benzene, alkylbenzenes, halobenzenes), five different chloroalkanes (dichloromethane, trichloromethane, 1-chlorobutane, 1,2-dichloropropane, isopropylbromide), tetrahydrofuran, butyl acetate, and acetonitrile dissolved in diethylene glycol at 298.15 K. Solubilities were also measured at 298.15 K for 31 crystalline nonelectrolyte organic solutes including several polycyclic aromatic hydrocarbons and substituted benzoic acid derivatives. The experimental results of the headspace chromatographic and spectroscopic solubility measurements were converted to gas-to-diethylene glycol and water-to-diethylene glycol partition coefficients, and molar solubility ratios using standard thermodynamic relationships. Expressions were derived for solute transfer into diethylene glycol from the calculated partition coefficients and solubility ratios. Mathematical correlations based on the Abraham model describe the observed partition coefficient and solubility data to within 0.14 log10 units (or less).
DOI：
10.1039/b907118k
发表时间：
2009
期刊：
New journal of chemistry = Nouveau journal de chimie
影响因子：
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作者：
Abraham MH;Acree WE;Cometto-Muñiz JE
通讯作者：
Cometto-Muñiz JE