Solid-liquid equilibrium and thermodynamic properties of N,2,3-trimethyl-2-isopropylbutamide in seventeen mono solvents from T = (273.15 to 319.15) K
Solid-liquid equilibrium and thermodynamic properties of N,2,3-trimethyl-2-isopropylbutamide in seventeen mono solvents from T = (273.15 to 319.15) K
复制标题
N,2,3-三甲基-2-异丙基丁酰胺在 17 种单溶剂中的固液平衡和热力学性质（T = (273.15 至 319.15) K）
DOI：
10.1016/j.molliq.2019.03.120
复制
发表时间：
2019
影响因子：
6
通讯作者：
Wu Kui
中科院分区：
文献类型：
--
作者：
Li Ya Jun;Liang Lei;Wu Kui
研究了N，2，3-三甲基-2-异丙基丁酰胺在不同溶剂中的溶解度、相关方程参数和溶解热力学性质，为N，2，3-三甲基-2-异丙基丁酰胺的提纯和晶体形态优化提供了理论依据。用静态重量法测定了N，2，3-三甲基-2-异丙基丁酰胺在17种纯溶剂中的溶解度（甲醇、乙醇、丙酮、乙酸乙酯、二氯甲烷、正己烷、异辛烷、乙腈、正丙醇、正丁醇、环己烷、异丙醇、正辛醇、环己酮、甲苯、1，在273.15 ~ 319.15 K的温度范围内，在大气压下测定了2-二氯苯和正戊醇的摩尔比。结果表明，随着温度的升高，在所有溶剂中的溶解度均增大。用修正的Apelblat方程、van 't霍夫方程、λ方程、非随机双液（NRTL）方程和Wilson方程对实验溶解度进行了关联。实验数据与上述模型拟合值吻合较好，尤其是修正的Apelblat方程拟合效果最好。最后，根据实验数据和Wilson模型计算了溶解热力学参数，吉布斯自由能（△disG）、摩尔焓（△disH）和摩尔熵（△disS）。
The objective of this work is to obtain the solubility, correlation equation parameters and dissolution thermodynamic properties for N,2,3-trimethyl-2-isopropylbutamide in different solvents, which is essential for its purification and further crystal morphology optimization. By using a static gravimetric method, the solubility of N,2,3-trimethyl-2-isopropylbutamide in seventeen pure solvents (methanol, ethanol, acetone, ethyl acetate, dichloromethane,n-hexane, isooctane, acetonitrile,n-propanol,n-butanol, cyclohexane, isopropanol,n-octanol, cyclohexanone, toluene, 1,2-dichlorobenzene andn-pentanol) was measured over temperature range from 273.15 K to 319.15 K under atmosphere pressure. The results indicated that the mole fraction solubility increased with the rising temperature in all solvents. Besides, the experimental solubility was correlated with the modified Apelblat equation, van't Hoff equation,λhequation, non-random two-liquid (NRTL) equation and Wilson equation. Good agreements were found between the experimental data and above models fitted values, especially the modified Apelblat equation provided the best fitting results. Finally, the dissolution thermodynamic parameters, Gibbs energy (△disG), molar enthalpy (△disH) and molar entropy (△disS) were calculated based on the experimental data and the Wilson model.