Study on 2-Hydrazino-4-methylbenzothiazole in Nine Monosolvents and Four Mixed Solvents at 273.15 to 318.15 K: Solubility Determination and Modeling

IF 2 3区 工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY
Pengjun Yao*, Farao Zhang and Yang Yu, 
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Abstract

In this paper, the mole fraction solubility of 2-hydrazino-4-methylbenzothiazole (MHB) in acetone, toluene, methanol, ethanol, water, ethyl acetate, n-propanol, isopropanol, 1-butanol, and methanol/ethanol/n-propanol/acetone + water was determined by the isothermal saturation method at 273.15 to 318.15 K under 101.2 kPa. Meanwhile, high-performance liquid chromatography was used to detect the solubility of MHB. The mole fraction of MHB increased with the increase of temperature in monosolvents, and the composition of solvent mixtures also played a decisive role in the solubility of MHB in mixed systems. Then, four models for five monosolvents (Apelblat, van’t Hoff, λh, NRTL, and the Jouyban model) and three models for mixed solvents [Jouyban–Acree (J–A), van’t Hoff–Jouyban–Acree (V–J–A), and modified Apelblat–Jouyban–Acree (A–J–A) model] were utilized to correlate the mole fraction of MHB. The maximum deviations [relative average deviation (RAD) and root-mean-square deviation (RMSD)] between the experimental data and the solubility data calculated by the models for monosolvents were 7.13% and 6.11 × 10–4 (from the Jouyban model in pure ethyl acetate), respectively. The maximum RAD and RMSD for mixed systems were 1.58% (from the A–J–A model in methanol + water) and 1.35 × 10–4 (from the J–A and A–J–A models in acetone + water), respectively.

Abstract Image

273.15 ~ 318.15 K下9种单溶剂和4种混合溶剂中2-肼基-4-甲基苯并噻唑的溶解度测定和模拟
本文采用等温饱和法测定了2-肼-4-甲基苯并噻唑(MHB)在丙酮、甲苯、甲醇、乙醇、水、乙酸乙酯、正丙醇、异丙醇、1-丁醇、甲醇/乙醇/正丙醇/丙酮+水中的溶解度,温度为273.15 ~ 318.15 K,温度为101.2 kPa。同时,采用高效液相色谱法检测MHB的溶解度。在单溶剂中,MHB的摩尔分数随温度的升高而增加,而溶剂混合物的组成也对MHB在混合体系中的溶解度起决定性作用。然后,利用5种单溶剂模型(Apelblat、van 't Hoff、λh、NRTL和Jouyban模型)和3种混合溶剂模型(Jouyban - acree (J-A)、van 't Hoff - Jouyban - acree (V-J-A)和改进的Apelblat - Jouyban - acree (A-J-A)模型)来关联MHB的摩尔分数。实验数据与模型计算的单溶剂溶解度数据的最大偏差[相对平均偏差(RAD)和均方根偏差(RMSD)]分别为7.13%和6.11 × 10-4(纯乙酸乙酯中的Jouyban模型)。混合体系的最大RAD和RMSD分别为1.58%(甲醇+水中的A-J-A模型)和1.35 × 10-4(丙酮+水中的J-A和A-J-A模型)。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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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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