Xian Sun , Xingzhu Wang , Qianyun Sun , Shuai Yu , Fumin Xue
{"title":"Solid-liquid phase equilibrium and thermodynamic properties analysis of 1,3,5-tribromobenzene in sixteen kinds of organic mono-solvents","authors":"Xian Sun , Xingzhu Wang , Qianyun Sun , Shuai Yu , Fumin Xue","doi":"10.1016/j.jct.2024.107265","DOIUrl":null,"url":null,"abstract":"<div><p>Solid-liquid equilibrium solubility of 1,3,5-Tribromobenzene (<em>m</em>-TBB) in 16 pure solvents, including ethyl formate, methyl acetate, ethyl acetate, propyl acetate, butyl acetate, amyl acetate, acetone, 2-butanone, cyclohexanone, 1,2-dichloroethane, chloroform, cyclohexane, toluene, tetrahydrofuran (THF), <em>N,N</em>-dimethylformamide (DMF), and <em>N,N</em>-dimethylacetamide (DMA) were determined by gravimetric method at different temperatures. The solubility of <em>m</em>-TBB increases gradually with the increase of temperature. The order of solubility of <em>m</em>-TBB in alkanes solvents is: chloroform > 1,2-dichloroethane > cyclohexane. The order of solubility of <em>m</em>-TBB in esters solvents is: amyl acetate > butyl acetate > propyl acetate > ethyl acetate > methyl acetate > ethyl formate. The order of solubility of <em>m</em>-TBB in ketones solvents is: cyclohexanone > 2-butanone > acetone. The order of solubility of <em>m</em>-TBB in other solvents is: THF > toluene > DMA > DMF. The KAT-LSER model was selected to explore the solvent effect of <em>m</em>-TBB in the tested solvents. Four thermodynamic models, i.e., the <em>modified Apelblat</em> model, the <em>λh</em> model, the <em>NRTL</em> model and the <em>Wilson</em> model, were selected for correlate the solubility data of <em>m</em>-TBB in 16 mono-solvents. The <em>RAD</em> and the <em>RMSD</em> values of <em>NRTL</em> model were all less than 1.67 × 10<sup>-2</sup> and 3.82 × 10<sup>-4</sup>, respectively. All the four theoretical models can correlate the solubility data of <em>m</em>-TBB well in the selected solvents. The dissolution process of <em>m</em>-TBB were calculated based on the <em>Wilson</em> model. The dissolution process of <em>m</em>-TBB is endothermic, entropy increase and spontaneous. The entropy contributes more to Gibbs free energy.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"193 ","pages":"Article 107265"},"PeriodicalIF":2.2000,"publicationDate":"2024-02-06","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/S0021961424000181","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
Abstract
Solid-liquid equilibrium solubility of 1,3,5-Tribromobenzene (m-TBB) in 16 pure solvents, including ethyl formate, methyl acetate, ethyl acetate, propyl acetate, butyl acetate, amyl acetate, acetone, 2-butanone, cyclohexanone, 1,2-dichloroethane, chloroform, cyclohexane, toluene, tetrahydrofuran (THF), N,N-dimethylformamide (DMF), and N,N-dimethylacetamide (DMA) were determined by gravimetric method at different temperatures. The solubility of m-TBB increases gradually with the increase of temperature. The order of solubility of m-TBB in alkanes solvents is: chloroform > 1,2-dichloroethane > cyclohexane. The order of solubility of m-TBB in esters solvents is: amyl acetate > butyl acetate > propyl acetate > ethyl acetate > methyl acetate > ethyl formate. The order of solubility of m-TBB in ketones solvents is: cyclohexanone > 2-butanone > acetone. The order of solubility of m-TBB in other solvents is: THF > toluene > DMA > DMF. The KAT-LSER model was selected to explore the solvent effect of m-TBB in the tested solvents. Four thermodynamic models, i.e., the modified Apelblat model, the λh model, the NRTL model and the Wilson model, were selected for correlate the solubility data of m-TBB in 16 mono-solvents. The RAD and the RMSD values of NRTL model were all less than 1.67 × 10-2 and 3.82 × 10-4, respectively. All the four theoretical models can correlate the solubility data of m-TBB well in the selected solvents. The dissolution process of m-TBB were calculated based on the Wilson model. The dissolution process of m-TBB is endothermic, entropy increase and spontaneous. The entropy contributes more to Gibbs free energy.
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