溶解度测量,溶剂影响,热力学模型,以及苯并肼在一些醇的水溶液共溶剂组合中的特殊溶剂化

IF 2 3区 工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY
Adel Noubigh*, Hammadi Khmissi and Manef Abderrabba, 
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引用次数: 0

摘要

采用重量法测定了苯并肼(BH)在101.2 kPa条件下(283.15 ~ 323.15 K)在二元溶剂体系(甲醇+水、乙醇+水、丙烷-1-醇+水和丙烷-2-醇+水)中的固液平衡。结果表明,BH在较高的温度下更易溶解,而随着二元溶剂混合物中水的摩尔分数的增加,BH的可溶性降低。同时,利用KAT模型考察了溶剂对BH在溶液中摩尔分数溶解度的影响。结果表明,溶剂形成氢键(α)的能力和反映溶剂分子间分子接触能的空腔项对BH的溶剂效应影响最大。利用Jouyban-Acree、Jouyban-Acree -van 't Hoff、Apelblat-Jouyban-Acree和Ma模型对实验数据进行关联。平均相对偏差(RAD %)的低值(分别为≤1.03、≤1.99、≤1.86和≤1.98)表明,在所选的四种二元溶剂混合物中,BH的实验溶解度数据与所选择的四种模型的相关数据高度一致。利用逆Kirkwood-Buff积分计算比溶剂化参数。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Solvability Measurement, Solvent Impact, Thermodynamic Modeling, and Special Solvation of Benzohydrazide in Aqueous Cosolvent Combinations of Some Alcohols

Solvability Measurement, Solvent Impact, Thermodynamic Modeling, and Special Solvation of Benzohydrazide in Aqueous Cosolvent Combinations of Some Alcohols

This work employed a gravimetric approach to determine the solid–liquid phase equilibrium of benzohydrazide (BH) in binary solvent systems (methanol + water, ethanol + water, propan-1-ol + water, and propan-2-ol + water) under 101.2 kPa between 283.15 and 323.15 K. The findings displayed that BH becomes more soluble at higher temperature and less soluble with increased mole fraction of water in the binary solvent mixtures. Concurrently, the impact of solvent on the mole fraction solubility of BH in solution was examined by utilizing the KAT model. The findings show that the capability of the solvent to form hydrogen bonds (α) and the cavity term, which reflects the molecular contact energy between solvent molecules, have the greatest influence on the solvent effect for BH. The experimental data were correlated utilizing the Jouyban–Acree, Jouyban–Acree-van’t Hoff, Apelblat–Jouyban–Acree, and Ma models. The low values for the average relative deviation (RAD %) (≤1.03, ≤1.99, ≤1.86, and ≤1.98, respectively) show that the experimental solubility data for BH in the four binary solvent mixes strongly align with the correlated data using the selected four models. Inverse Kirkwood–Buff integrals were utilized to compute the specific solvation parameters.

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来源期刊
Journal of Chemical & Engineering Data
Journal of Chemical & Engineering Data 工程技术-工程:化工
CiteScore
5.20
自引率
19.20%
发文量
324
审稿时长
2.2 months
期刊介绍: The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.
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