Measurement and correlation of solubility and solution thermodynamics of 1,3-dimethylurea in different solvents from T = (288.15 to 328.15) K

被引：21

作者：

Zhu, Peipei ^{[1
]}

Chen, Yanxin ^{[2
]}

Zhang, Meijing ^{[1
,3
]}

Bao, Ying ^{[1
,3
]}

Xie, Chuang ^{[1
,3
]}

Hou, Baohong ^{[1
,3
]}

Gong, Junbo ^{[1
,3
]}

Chen, Wei ^{[1
,3
]}

机构：

[1] Tianjin Univ, Sch Chem Engn & Technol, Natl Engn Res Ctr Ind Crystallizat Technol, Tianjin 300072, Peoples R China

[2] Sinopec Shanghai Res Inst Petrochem Technol, Shanghai 201208, Peoples R China

[3] Collaborat Innovat Ctr Chem Sci & Chem Engn Tianj, Tianjin 300072, Peoples R China

来源：

JOURNAL OF CHEMICAL THERMODYNAMICS | 2016年 / 97卷

基金：

中国国家自然科学基金;

关键词：

1,3-Dimethylurea; Solubility; Solution thermodynamics; Mixing thermodynamics; COSMO-RS; COSMO-RS; LIQUID-EQUILIBRIUM; ALKYL DERIVATIVES; ORGANIC-SOLVENTS; PHASE-TRANSITION; METHYL ACETATE; ETHYL-ACETATE; IONIC LIQUIDS; PREDICTION; WATER;

D O I：

10.1016/j.jct.2015.12.032

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

In this work, the solubility of 1,3-dimethylurea form I (DMUI) in seven solvents including water, 2-butanol, 2-propanol, acetone, acetonitrile, ethyl acetate and butyl acetate were measured by a synthetic method at a temperature range from (288.15 to 328.15) K at atmospheric pressure. For the temperature range investigated, the solubility of DMUI in the selected solvents increased with increasing temperature. Results of these measurements were well-correlated with the modified Apelblat equation, lambda h equation, van't Hoff equation and Wilson model. Besides, the thermodynamic data (i.e., Gibbs energy, enthalpy, and entropy of mixing) were calculated by using the Wilson model. The chemical potential, solvation free energy and interaction enthalpy of DMU in solution were calculated by COSMO-RS model. This model was also applied to predict DMU solubility which showed good agreement with the experimental values. (C) 2016 Elsevier Ltd. All rights reserved.

引用

页码：9 / 16

页数：8

共 43 条

[1] Relationship between Stereochemistry and Charge Density in Hydrogen Bonds with Oxygen Acceptors [J].