在278.15 ~ 323.15 K范围内,13种单溶剂和二元溶剂中单唑唑的固液平衡溶解度及相关性

IF 2.1 3区 工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY
Zijie Zhang, , , Jiacheng Li, , , Kejia Wang, , , Jingjing Li, , , Funeng Xu, , , Hualin Fu, , , Huaqiao Tang, , , Gang Shu, , , Juchun Lin, , , Xiaoyang Ai, , , Haohuan Li, , , Ling Zhao, , , Xianxiang Wang, , and , Wei Zhang*, 
{"title":"在278.15 ~ 323.15 K范围内,13种单溶剂和二元溶剂中单唑唑的固液平衡溶解度及相关性","authors":"Zijie Zhang,&nbsp;, ,&nbsp;Jiacheng Li,&nbsp;, ,&nbsp;Kejia Wang,&nbsp;, ,&nbsp;Jingjing Li,&nbsp;, ,&nbsp;Funeng Xu,&nbsp;, ,&nbsp;Hualin Fu,&nbsp;, ,&nbsp;Huaqiao Tang,&nbsp;, ,&nbsp;Gang Shu,&nbsp;, ,&nbsp;Juchun Lin,&nbsp;, ,&nbsp;Xiaoyang Ai,&nbsp;, ,&nbsp;Haohuan Li,&nbsp;, ,&nbsp;Ling Zhao,&nbsp;, ,&nbsp;Xianxiang Wang,&nbsp;, and ,&nbsp;Wei Zhang*,&nbsp;","doi":"10.1021/acs.jced.5c00358","DOIUrl":null,"url":null,"abstract":"<p >Uniconazole (UCZ) is an important plant growth regulator, and its solubility has not been comprehensively studied. In this study, the static method was employed to determine the solubility of UCZ in 13 monosolvents (ethylene glycol, n-propanol, isopropanol, 1,2-propanediol, iso-butanol, n-butanol, n-octanol, methyl acetate, ethyl acetate, butyl acetate, n-propyl acetate, isobutyl acetate, and water) and n-propanol-water binary mixtures at <i>T</i> = (278.15 to 328.15) K and <i>P</i> = 0.1 MPa. Experiments have shown that the solubility of UCZ in the selected solvent system exhibits a positive temperature correlation, and it significantly increases with the n-propanol mole fraction in binary systems. The solubility in 13 monosolvents was correlated using Apelblat, Van’t Hoff, Jouyban, and NRTL equations, and solubility data in binary solvents were correlated using Apelblat, GCM, and Van’t-JA equations. The oriented root-mean-square deviation (ORMSD) values for all models remain below 0.22%, indicating a good fitting effect. X-ray diffraction (XRD) showed no crystal transition in UCZ during dissolution. The dissolution behavior was analyzed using Hansen solubility parameters (HSPs). The KAT-LSER model showed that the solvent–solvent interaction affects the solubility of UCZ more than the solute–solvent interaction.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 10","pages":"4240–4254"},"PeriodicalIF":2.1000,"publicationDate":"2025-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Solid–Liquid Equilibrium Solubility and Correlation of Uniconazole in 13 Monosolvents and Binary Solvents from 278.15 to 323.15 K\",\"authors\":\"Zijie Zhang,&nbsp;, ,&nbsp;Jiacheng Li,&nbsp;, ,&nbsp;Kejia Wang,&nbsp;, ,&nbsp;Jingjing Li,&nbsp;, ,&nbsp;Funeng Xu,&nbsp;, ,&nbsp;Hualin Fu,&nbsp;, ,&nbsp;Huaqiao Tang,&nbsp;, ,&nbsp;Gang Shu,&nbsp;, ,&nbsp;Juchun Lin,&nbsp;, ,&nbsp;Xiaoyang Ai,&nbsp;, ,&nbsp;Haohuan Li,&nbsp;, ,&nbsp;Ling Zhao,&nbsp;, ,&nbsp;Xianxiang Wang,&nbsp;, and ,&nbsp;Wei Zhang*,&nbsp;\",\"doi\":\"10.1021/acs.jced.5c00358\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Uniconazole (UCZ) is an important plant growth regulator, and its solubility has not been comprehensively studied. In this study, the static method was employed to determine the solubility of UCZ in 13 monosolvents (ethylene glycol, n-propanol, isopropanol, 1,2-propanediol, iso-butanol, n-butanol, n-octanol, methyl acetate, ethyl acetate, butyl acetate, n-propyl acetate, isobutyl acetate, and water) and n-propanol-water binary mixtures at <i>T</i> = (278.15 to 328.15) K and <i>P</i> = 0.1 MPa. Experiments have shown that the solubility of UCZ in the selected solvent system exhibits a positive temperature correlation, and it significantly increases with the n-propanol mole fraction in binary systems. The solubility in 13 monosolvents was correlated using Apelblat, Van’t Hoff, Jouyban, and NRTL equations, and solubility data in binary solvents were correlated using Apelblat, GCM, and Van’t-JA equations. The oriented root-mean-square deviation (ORMSD) values for all models remain below 0.22%, indicating a good fitting effect. X-ray diffraction (XRD) showed no crystal transition in UCZ during dissolution. The dissolution behavior was analyzed using Hansen solubility parameters (HSPs). The KAT-LSER model showed that the solvent–solvent interaction affects the solubility of UCZ more than the solute–solvent interaction.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 10\",\"pages\":\"4240–4254\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2025-09-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical & Engineering Data\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.jced.5c00358\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.5c00358","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

摘要

Uniconazole (UCZ)是一种重要的植物生长调节剂,其溶解度研究尚不全面。本研究采用静态法测定了UCZ在T = (278.15 ~ 328.15) K, P = 0.1 MPa条件下,13种单溶剂(乙二醇、正丙醇、异丙醇、1,2-丙二醇、异丁醇、正丁醇、正丁醇、正辛醇、乙酸甲酯、乙酸乙酯、乙酸丁酯、乙酸正丙酯、乙酸异丁酯和水)和正丙醇-水二元混合物中的溶解度。实验表明,所选溶剂体系中UCZ的溶解度与温度呈正相关关系,且随二元体系中正丙醇摩尔分数的增加而显著增加。在13种单溶剂中的溶解度使用Apelblat、Van 't Hoff、Jouyban和NRTL方程进行关联,在二元溶剂中的溶解度数据使用Apelblat、GCM和Van 't - ja方程进行关联。所有模型的定向均方根偏差(ORMSD)值均保持在0.22%以下,表明拟合效果良好。x射线衍射(XRD)表明,溶解过程中UCZ未发生晶体转变。采用汉森溶解度参数(HSPs)分析其溶解行为。KAT-LSER模型表明,溶剂-溶剂相互作用对UCZ溶解度的影响大于溶质-溶剂相互作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Solid–Liquid Equilibrium Solubility and Correlation of Uniconazole in 13 Monosolvents and Binary Solvents from 278.15 to 323.15 K

Solid–Liquid Equilibrium Solubility and Correlation of Uniconazole in 13 Monosolvents and Binary Solvents from 278.15 to 323.15 K

Uniconazole (UCZ) is an important plant growth regulator, and its solubility has not been comprehensively studied. In this study, the static method was employed to determine the solubility of UCZ in 13 monosolvents (ethylene glycol, n-propanol, isopropanol, 1,2-propanediol, iso-butanol, n-butanol, n-octanol, methyl acetate, ethyl acetate, butyl acetate, n-propyl acetate, isobutyl acetate, and water) and n-propanol-water binary mixtures at T = (278.15 to 328.15) K and P = 0.1 MPa. Experiments have shown that the solubility of UCZ in the selected solvent system exhibits a positive temperature correlation, and it significantly increases with the n-propanol mole fraction in binary systems. The solubility in 13 monosolvents was correlated using Apelblat, Van’t Hoff, Jouyban, and NRTL equations, and solubility data in binary solvents were correlated using Apelblat, GCM, and Van’t-JA equations. The oriented root-mean-square deviation (ORMSD) values for all models remain below 0.22%, indicating a good fitting effect. X-ray diffraction (XRD) showed no crystal transition in UCZ during dissolution. The dissolution behavior was analyzed using Hansen solubility parameters (HSPs). The KAT-LSER model showed that the solvent–solvent interaction affects the solubility of UCZ more than the solute–solvent interaction.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
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.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信