4,4'-二甲基二苯甲酮在单一溶剂和二元溶剂中的溶解度测定与关联  

Solubility determination and correlation of 4,4'⁃dimethylbenzophe⁃none in single solvents and a binary solvent

作　　者：刘宇翔 庄少岚 赵洪康 李群生[1] 申传龙 LIU YuXiang;ZHUANG ShaoLan;ZHAO HongKang;LI QunSheng;SHEN ChuanLong(College of Chemical Engineering,Beijing University of Chemical Technology,Beijing 100029;China International Engineering Consulting Corporation,Beijing 100048,China)

机构地区：[1]北京化工大学化学工程学院,北京100029 [2]中国国际工程咨询有限公司,北京100048

出　　处：《北京化工大学学报（自然科学版）》2024年第5期1-9,共9页Journal of Beijing University of Chemical Technology(Natural Science Edition)

基　　金：国家自然科学基金(22008004)。

摘　　要：在常压以及温度为293.15~333.15 K的条件下,采用静态平衡法测定了4,4'-二甲基二苯甲酮(4,4'-DMBP)在10种单一有机溶剂和1种二元有机溶剂(乙醇+乙酸乙酯)中的溶解度,并通过活度系数模型(Wilson方程、NRTL方程)和经验模型(Apelblat方程、Van’t Hoff方程)关联4,4'-DMBP的溶解度和温度,得到相应的模型参数。结果显示,在常温(298.15 K)下4,4'-DMBP在单一溶剂中溶解度的大小顺序为:苯>乙酸丙酯>乙酸乙酯>乙酸甲酯>1-丁醇>2-丁醇>1-丙醇>2-丙醇>乙醇>甲醇,乙醇与乙酸乙酯的二元溶剂对4,4'-DMBP没有增溶和减溶作用;Wilson模型在单一溶剂中的拟合效果最佳,相对标准偏差(ARD)为1.13%,均方根偏差(RMSD)为0.19%。溶剂化效应和优先溶剂化效应分析结果表明:描述溶剂极性的π*和溶剂间相互作用VSδH2/(100RT)对溶解度的贡献率分别是46.43%和46.38%,它们对4,4'-DMBP溶解度的贡献占据主导地位;在乙醇与乙酸乙酯的二元溶剂中,当乙醇含量较高时4,4'-DMBP优先与乙酸乙酯溶剂化。The solubilities of 4,4'-dimethylbenzophenone(4,4'-DMBP)in 10 single organic solvents and 1 binary organic solvent(ethanol+ethyl acetate)were determined by a static equilibrium method at 293.15-333.15 K under atmospheric pressure.The solubility of 4,4'-DMBP and temperature were correlated by activity coefficient models(Wilson equation and NRTL equation)and empirical models(Apelblat equation and Van’t Hoff equa-tion),and the corresponding model parameters were obtained.The results showed that the order of solubility of 4,4'-DMBP in single solvents at room temperature(298.15 K)was as follows:benzene>propyl acetate>ethyl acetate>methyl acetate>1-butanol>2-butanol>1-propanol>2-propanol>ethanol>methanol.The binary sol-vent of ethanol and ethyl acetate had no solubilization and desolvation effect on 4,4'-DMBP.The fitting effect of the Wilson model in single solvents was the best,with a relative standard deviation(ARD)of 1.13%,and a root mean square deviation(RMSD)of 0.19%.Analysis of solvation effects and preferential solvation effects showed that the contributions ofπ*and VSδ2H/(100RT)to the solubility were 46.43%and 46.38%,respectively,confirming that their contribution to the solubility of 4,4'-DMBP was dominant.In the binary solvent of ethanol and ethyl acetate,when the ethanol content is high,4,4'-DMBP is preferentially solvated by ethyl acetate.

关 键 词：4 4'-二甲基二苯甲酮 溶解度 热力学模型 

分 类 号：O624.6[理学—有机化学]