{"title":"磷酸二氢铵在四种二元溶剂(283.15 ~ 323.15 K)中溶解度的测定及其相关性、溶剂效应和无机盐诱导的液-液分离现象","authors":"Wenhao Yan, Sheng Liu, Jiaqi Luo, Yingchen Wang, Qiutong Zhang, Yimin Jia, Mingting Yuan, Yuan Zou, Xinyue Zhai and Qiushuo Yu*, ","doi":"10.1021/acs.jced.5c00192","DOIUrl":null,"url":null,"abstract":"<p >The mole-fraction solubility of ammonium dihydrogen phosphate (MAP) in four binary solvent systems: water + n-propanol, water + i-propanol, water + tert-butanol, and water + acetone, was determined by the gravimetric method at atmospheric pressure and temperatures ranging from 283.15 to 323.15 K. It was found that the solubility of MAP increased with increasing temperature and with the mole fraction of water in the binary solvent systems. In this study, the structural characteristics and intermolecular interactions of MAP molecules were analyzed by using the molecular electrostatic potential surface (MEPS) and Hirshfeld surface (HS). Correlation analysis of the experimental solubility data was carried out by the modified Apelblat equation, the van’t Hoff equation, the λh equation, and the Jouyban–Acree model. The relative deviation, mean relative deviation, and root-mean-square deviation were also calculated. The analysis results showed that the modified Apelblat equation was the best correlation model. At the same time, this study also provides a reasonable explanation for the phenomenon of inorganic salt-induced liquid–liquid phase separation in the experiment.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 8","pages":"3412–3427"},"PeriodicalIF":2.1000,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Solubility Determination of Ammonium Dihydrogen Phosphate in Four Binary Solvents at Different Temperatures of 283.15–323.15 K, as well as Correlation, Solvent Effects, and the Inorganic Salt-Induced Liquid–Liquid Phase Separation Phenomenon\",\"authors\":\"Wenhao Yan, Sheng Liu, Jiaqi Luo, Yingchen Wang, Qiutong Zhang, Yimin Jia, Mingting Yuan, Yuan Zou, Xinyue Zhai and Qiushuo Yu*, \",\"doi\":\"10.1021/acs.jced.5c00192\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >The mole-fraction solubility of ammonium dihydrogen phosphate (MAP) in four binary solvent systems: water + n-propanol, water + i-propanol, water + tert-butanol, and water + acetone, was determined by the gravimetric method at atmospheric pressure and temperatures ranging from 283.15 to 323.15 K. It was found that the solubility of MAP increased with increasing temperature and with the mole fraction of water in the binary solvent systems. In this study, the structural characteristics and intermolecular interactions of MAP molecules were analyzed by using the molecular electrostatic potential surface (MEPS) and Hirshfeld surface (HS). Correlation analysis of the experimental solubility data was carried out by the modified Apelblat equation, the van’t Hoff equation, the λh equation, and the Jouyban–Acree model. The relative deviation, mean relative deviation, and root-mean-square deviation were also calculated. The analysis results showed that the modified Apelblat equation was the best correlation model. At the same time, this study also provides a reasonable explanation for the phenomenon of inorganic salt-induced liquid–liquid phase separation in the experiment.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 8\",\"pages\":\"3412–3427\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2025-07-16\",\"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.5c00192\",\"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.5c00192","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}
Solubility Determination of Ammonium Dihydrogen Phosphate in Four Binary Solvents at Different Temperatures of 283.15–323.15 K, as well as Correlation, Solvent Effects, and the Inorganic Salt-Induced Liquid–Liquid Phase Separation Phenomenon
The mole-fraction solubility of ammonium dihydrogen phosphate (MAP) in four binary solvent systems: water + n-propanol, water + i-propanol, water + tert-butanol, and water + acetone, was determined by the gravimetric method at atmospheric pressure and temperatures ranging from 283.15 to 323.15 K. It was found that the solubility of MAP increased with increasing temperature and with the mole fraction of water in the binary solvent systems. In this study, the structural characteristics and intermolecular interactions of MAP molecules were analyzed by using the molecular electrostatic potential surface (MEPS) and Hirshfeld surface (HS). Correlation analysis of the experimental solubility data was carried out by the modified Apelblat equation, the van’t Hoff equation, the λh equation, and the Jouyban–Acree model. The relative deviation, mean relative deviation, and root-mean-square deviation were also calculated. The analysis results showed that the modified Apelblat equation was the best correlation model. At the same time, this study also provides a reasonable explanation for the phenomenon of inorganic salt-induced liquid–liquid phase separation in the experiment.
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.