双氰胺在三种二元溶剂中溶解度的测量、相关性和热力学分析

IF 2.2 3区工程技术 Q3 CHEMISTRY, PHYSICAL Journal of Chemical Thermodynamics Pub Date : 2024-04-24 DOI:10.1016/j.jct.2024.107312

Yinhu Pan , Yan Wang , Shichao Du , Qilei Sun , Fumin Xue

{"title":"双氰胺在三种二元溶剂中溶解度的测量、相关性和热力学分析","authors":"Yinhu Pan , Yan Wang , Shichao Du , Qilei Sun , Fumin Xue","doi":"10.1016/j.jct.2024.107312","DOIUrl":null,"url":null,"abstract":"<div><p>Dicyandiamide (DCD) is an important chemical raw material. The solid–liquid equilibrium solubility of DCD in three kinds of binary solvent mixtures (N,N-dimethylformamide (DMF) + ethanol, DMF + acetonitrile, DMF + acetone) at <em>T</em> = (283.15–323.15) K was determined by gravimetric method. The thermodynamic parameters of DCD dissolution in solvents were studied. The solubility of DCD in the three groups of binary mixed solvents increases with the increase of temperature. In three binary mixed solvents, the solubility of DCD increases monotonically with the increase of DMF composition. The modified Apelblat model, van’t Hoff model, <em>λh</em> model, the nonrandom two-liquid (NRTL) model and the Apelblat-Jouyban-Acree model were used to correlate the solubility data. The results show that the modified Apelblat model have the best correlation with the solubility of DCD. The calculation of thermodynamic parameters during the dissolution process indicates that dissolution is exothermic and driven by both enthalpy and entropy. This work can provide reference for improving the crystallization process of DCD, as well as for improving the chemical production process using DCD as raw material.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"196 ","pages":"Article 107312"},"PeriodicalIF":2.2000,"publicationDate":"2024-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Measurement, correlation and thermodynamic analysis of the solubility of dicyandiamide in three binary solvents\",\"authors\":\"Yinhu Pan , Yan Wang , Shichao Du , Qilei Sun , Fumin Xue\",\"doi\":\"10.1016/j.jct.2024.107312\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Dicyandiamide (DCD) is an important chemical raw material. The solid–liquid equilibrium solubility of DCD in three kinds of binary solvent mixtures (N,N-dimethylformamide (DMF) + ethanol, DMF + acetonitrile, DMF + acetone) at <em>T</em> = (283.15–323.15) K was determined by gravimetric method. The thermodynamic parameters of DCD dissolution in solvents were studied. The solubility of DCD in the three groups of binary mixed solvents increases with the increase of temperature. In three binary mixed solvents, the solubility of DCD increases monotonically with the increase of DMF composition. The modified Apelblat model, van’t Hoff model, <em>λh</em> model, the nonrandom two-liquid (NRTL) model and the Apelblat-Jouyban-Acree model were used to correlate the solubility data. The results show that the modified Apelblat model have the best correlation with the solubility of DCD. The calculation of thermodynamic parameters during the dissolution process indicates that dissolution is exothermic and driven by both enthalpy and entropy. This work can provide reference for improving the crystallization process of DCD, as well as for improving the chemical production process using DCD as raw material.</p></div>\",\"PeriodicalId\":54867,\"journal\":{\"name\":\"Journal of Chemical Thermodynamics\",\"volume\":\"196 \",\"pages\":\"Article 107312\"},\"PeriodicalIF\":2.2000,\"publicationDate\":\"2024-04-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Thermodynamics\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S002196142400065X\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Thermodynamics","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S002196142400065X","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}

引用次数: 0

摘要

双氰胺（DCD）是一种重要的化工原料。采用重量法测定了DCD在三种二元混合溶剂（N,N-二甲基甲酰胺（DMF）+乙醇、DMF+乙腈、DMF+丙酮）中的固液平衡溶解度。研究了 DCD 在溶剂中溶解的热力学参数。DCD 在三组二元混合溶剂中的溶解度随温度的升高而增加。在三种二元混合溶剂中，DCD的溶解度随DMF成分的增加而单调增加。利用改进的 Apelblat 模型、van't Hoff 模型、λh 模型、非随机双液（NRTL）模型和 Apelblat-Jouyban-Acree 模型对溶解度数据进行了相关分析。结果表明，改进的 Apelblat 模型与 DCD 溶解度的相关性最好。溶解过程中热力学参数的计算表明，溶解是放热的，由焓和熵共同驱动。这项工作可为改进 DCD 的结晶过程以及改进以 DCD 为原料的化工生产过程提供参考。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文

微信好友朋友圈 QQ好友复制链接

本刊更多论文

Measurement, correlation and thermodynamic analysis of the solubility of dicyandiamide in three binary solvents

Dicyandiamide (DCD) is an important chemical raw material. The solid–liquid equilibrium solubility of DCD in three kinds of binary solvent mixtures (N,N-dimethylformamide (DMF) + ethanol, DMF + acetonitrile, DMF + acetone) at T = (283.15–323.15) K was determined by gravimetric method. The thermodynamic parameters of DCD dissolution in solvents were studied. The solubility of DCD in the three groups of binary mixed solvents increases with the increase of temperature. In three binary mixed solvents, the solubility of DCD increases monotonically with the increase of DMF composition. The modified Apelblat model, van’t Hoff model, λh model, the nonrandom two-liquid (NRTL) model and the Apelblat-Jouyban-Acree model were used to correlate the solubility data. The results show that the modified Apelblat model have the best correlation with the solubility of DCD. The calculation of thermodynamic parameters during the dissolution process indicates that dissolution is exothermic and driven by both enthalpy and entropy. This work can provide reference for improving the crystallization process of DCD, as well as for improving the chemical production process using DCD as raw material.

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 Thermodynamics 工程技术-热力学

CiteScore

5.60

自引率

15.40%

发文量

199

审稿时长

79 days

期刊介绍： The Journal of Chemical Thermodynamics exists primarily for dissemination of significant new knowledge in experimental equilibrium thermodynamics and transport properties of chemical systems. The defining attributes of The Journal are the quality and relevance of the papers published. The Journal publishes work relating to gases, liquids, solids, polymers, mixtures, solutions and interfaces. Studies on systems with variability, such as biological or bio-based materials, gas hydrates, among others, will also be considered provided these are well characterized and reproducible where possible. Experimental methods should be described in sufficient detail to allow critical assessment of the accuracy claimed. Authors are encouraged to provide physical or chemical interpretations of the results. Articles can contain modelling sections providing representations of data or molecular insights into the properties or transformations studied. Theoretical papers on chemical thermodynamics using molecular theory or modelling are also considered. The Journal welcomes review articles in the field of chemical thermodynamics but prospective authors should first consult one of the Editors concerning the suitability of the proposed review. Contributions of a routine nature or reporting on uncharacterised materials are not accepted.