Journal of Chemical Thermodynamics最新文献

{"title":"Solubility measurement, molecular simulations, Hansen solubility parameter and thermodynamic properties of isophthalic acid in binary solvents at 283.15–323.15 K","authors":"Xinyue Zhai ,&nbsp;Jiaqi Luo ,&nbsp;Qifan Su ,&nbsp;Yuan Zou ,&nbsp;Yingchen Wang ,&nbsp;Qiutong Zhang ,&nbsp;Wenhao Yan ,&nbsp;Qiushuo Yu","doi":"10.1016/j.jct.2024.107276","DOIUrl":"https://doi.org/10.1016/j.jct.2024.107276","url":null,"abstract":"<div><p>The solubility of isophthalic acid (IPA) in four different binary solvent systems (water + methanol, water + ethanol, water + 1-propanol, and water + isopropanol) was measured by the gravimetric method at atmospheric pressure from 283.15 K to 323.15 K. Under certain solvent compositions, the solubility of IPA increased with increasing temperature. The trend of solubility under isothermal conditions setting differs as the mole fraction of organic solvent increases. The solubility of IPA in water + methanol and water + ethanol systems increased with the mole fraction of methanol or ethanol. In the system of water + 1-propanol and water + isopropanol, as the mole fraction of organic solvent increased, the solubility of IPA increased firstly and then decreased gradually. The Hansen solubility parameters of IPA and selected solvents were analyzed, the analysis showed that the miscibility of IPA with the selected solvent was the result of many factors. Molecular electrostatic potential surface (MEPS) and Hirshfeld surface (HS) analysis were used to investigate the intermolecular interactions. The solubility data were correlated using the Apelblat equation, van't Hoff equation, λh equation, and Jouyban–Acree model. Besides, the vant Hoff equation was employed to analyze the apparent thermodynamic properties of dissolving process including the Gibbs energy, enthalpy and entropy. All positive values indicated that the dissolving process of IPA was non-spontaneous, endothermic, and entropy-driven.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139907403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thermodynamic investigations of the NaI-CsI, KI-CsI, and NaF-CsI pseudo-binary systems","authors":"N.L. Scuro ,&nbsp;B.W.N. Fitzpatrick ,&nbsp;E. Geiger ,&nbsp;M. Poschmann ,&nbsp;T. Dumaire ,&nbsp;O Beneš ,&nbsp;M.H.A. Piro","doi":"10.1016/j.jct.2024.107272","DOIUrl":"https://doi.org/10.1016/j.jct.2024.107272","url":null,"abstract":"<div><p>The present study describes the thermodynamic assessment of three pseudo-binary systems relevant to CsI solubility in molten iodide salts: KI-CsI, NaI-CsI, and NaF-CsI. The motivation for this study was to corroborate a single previously reported data set of the NaI-CsI system, resolve inconsistencies reported by two different data-sets of the KI-CsI system, and generate new experimental data on the NaF-CsI system. Equilibrium data for all systems were obtained using Differential Scanning Calorimetry. Thermodynamic treatments of the three pseudo-binary systems were revised using the CALPHAD method with the thermodynamic software FactSage and Thermochimica. Both experimental and computational investigations provide increased confidence in the thermochemical behaviour of CsI in Molten Salt Reactor nuclear systems.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139743744","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Interaction of curcumin and its derivatives with the carrier protein human serum albumin: Biophysical and thermodynamic approach","authors":"Tinku,&nbsp;Satrujeet Sahoo,&nbsp;Shaukat Ali Shaikh,&nbsp;K. Indira Priyadarsini,&nbsp;Sinjan Choudhary","doi":"10.1016/j.jct.2024.107273","DOIUrl":"https://doi.org/10.1016/j.jct.2024.107273","url":null,"abstract":"<div><p>Curcumin (Cur), a naturally occurring bioactive compound belonging to the polyphenol class is loaded with a variety of medicinal properties. Its poor bioavailability and suboptimal absorption within the body limit its therapeutic effectiveness which raises the thrust of the development of effective curcumin analogs. In this context, we have synthesized boron-derivatized curcumin variants of Cur, curcumin-BF2 (Cur-BF₂), and iodinated-curcumin-BF2 (I-Cur-BF₂) and performed a detailed biophysical and thermodynamic analysis for the interactions of the Cur and its derivatives with the carrier plasma protein human serum albumin (HSA). A combination of fluorescence spectroscopy and isothermal titration calorimetry (ITC) was employed to study the binding of Cur and its derivatives with HSA. ITC results indicated that the Cur compounds bind sequentially with HSA in a three-step manner. The binding constant in all three events for all three compounds is in the range of 10⁴-10⁵ mol⁻¹·kg. ITC results also suggested that Cur and its derivatives bind to HSA with moderate affinity via a combination of electrostatic/ionic/H-bonding and hydrophobic interactions, however, the hydrophobic interactions dominate in the case of Cur derivatives. The conformational changes in HSA upon binding of Cur derivatives were studied by circular dichroism spectroscopy. Further, differential scanning calorimetry (DSC) confirms the increase in the thermal stability of HSA by Cur compounds as depicted by the increase in transition temperature (T_1/2) and transition enthalpy (Δ_calH). Such qualitative and quantitative studies are essential for gaining insights into drug-protein interactions and optimization of various binding parameters for enhanced therapeutic effects.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139726950","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phase equilibria in the RbX/CsX + CuX2 + H2O (X = Cl, Br) systems at T = 298.15 K and the standard enthalpies of formation of seven double salts","authors":"Yufeng Tang,&nbsp;Qichao Yang,&nbsp;Zhanping Qiao","doi":"10.1016/j.jct.2024.107274","DOIUrl":"https://doi.org/10.1016/j.jct.2024.107274","url":null,"abstract":"<div><p>The phase equilibrium of ternary systems RbX/CsX + CuX₂ + H₂O (X = Cl, Br) at <em>T</em> = 298.15 K were investigated by the isothermal dissolution equilibrium method, in which the composition of equilibrium solid phases was determined by the Schreinemaker’s wet residue method. In the system RbCl + CuCl₂ + H₂O, there were three crystallization regions corresponding to RbCl, Rb₂CuCl₄·2H₂O and CuCl₂·2H₂O, respectively. Five crystallization fields corresponding to CsCl, CsCuCl₃, Cs₃Cu₂Cl₇·2H₂O, Cs₂CuCl₄ and CuCl₂·2H₂O were formed in the system CsCl + CuCl₂ + H₂O. The ternary system RbBr + CuBr₂ + H₂O had three crystalline regions corresponding to RbBr, Rb₂CuBr₄·2H₂O and CuBr₂. In the system CsBr + CuBr₂ + H₂O, the solid-phases of CsCuBr₃, Cs₂CuBr₄, besides CsBr and CuBr₂, were discovered. The results were compared with available literature data for cesium bromide/copper bromide salt-water system. The seven new solid phase were characterized using the X-ray diffraction method and thermogravimetric/differential analysis. The dissolution enthalpies of Rb₂CuCl₄·2H₂O, Rb₂CuBr₄·2H₂O, CsCuCl₃, Cs₃Cu₂Cl₇·2H₂O, Cs₂CuCl₄, CsCuBr₃ and Cs₂CuBr₄ at <em>T</em> = 298.15 K were measured. Their standard enthalpies of formation were obtained, and the results were in order with −(1714.4 ± 3.2) kJ·mol⁻¹, −(1533.6 ± 3.3) kJ·mol⁻¹, −(697.8 ± 3.1) kJ·mol⁻¹, −(2418.9 ± 6.1) kJ·mol⁻¹, −(1134.8 ± 3.2) kJ·mol⁻¹, −(563.5 ± 3.2) kJ·mol⁻¹ and −(966.2 ± 3.3) kJ·mol⁻¹, respectively.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139732594","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Densities, dynamic viscosities, and speed of sound of glyceline + 1-alcohols (C2-C4) from 288.15 to 343.15 K at 0.1 MPa","authors":"Guadalupe Pérez-Durán ,&nbsp;Gustavo A. Iglesias-Silva ,&nbsp;José Julián Cano-Gómez ,&nbsp;Mariana Ramos-Estrada","doi":"10.1016/j.jct.2024.107264","DOIUrl":"10.1016/j.jct.2024.107264","url":null,"abstract":"<div><p>In this work, we present experimental densities, viscosities, and speed of sound of a Deep Eutectic Solvent (Glyceline) with 1-alcohols (C₂-C₄) from (288.15 to 343.15) K at 0.1 MPa. Densities and speed of sound are from a vibrating tube densimeter while dynamic viscosities are from a rolling ball microviscosimeter. The binary mixture of Glyceline + 1-Butanol presents a liquid–liquid separation. Excess molar volumes, viscosity deviations, speed of sound deviations and isentropic compressibility deviations are calculated from experimental measurements. Excess molar volumes and viscosity deviations are negative at all temperatures. Speed of sound deviations are negative and positive. The Redlich-Kister equation is used to correlate the excess molar volume and the viscosity, speed of sound and isentropic compressibility deviations. We have used the Akaike Information Criterion corrected for small samples to obtain the optimal number of coefficients in the Redlich-Kister equation. Kinematic viscosities are correlated using the McAllister and the Nava-Rios equations. The average absolute percentage deviation of the McAllister equation is 3.09 % while for the Nava-Rios equation is 1.82 %.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139879901","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Solid-liquid phase equilibrium and thermodynamic properties analysis of 1,3,5-tribromobenzene in sixteen kinds of organic mono-solvents","authors":"Xian Sun ,&nbsp;Xingzhu Wang ,&nbsp;Qianyun Sun ,&nbsp;Shuai Yu ,&nbsp;Fumin Xue","doi":"10.1016/j.jct.2024.107265","DOIUrl":"https://doi.org/10.1016/j.jct.2024.107265","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 &gt; 1,2-dichloroethane &gt; cyclohexane. The order of solubility of <em>m</em>-TBB in esters solvents is: amyl acetate &gt; butyl acetate &gt; propyl acetate &gt; ethyl acetate &gt; methyl acetate &gt; ethyl formate. The order of solubility of <em>m</em>-TBB in ketones solvents is: cyclohexanone &gt; 2-butanone &gt; acetone. The order of solubility of <em>m</em>-TBB in other solvents is: THF &gt; toluene &gt; DMA &gt; 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^-2 and 3.82 × 10^-4, 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":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139714841","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phase behavior and enthalpies of binary mixtures of R-1243zf with PAG 68, POE 85 and PEC4 oils","authors":"Yanjun Sun ,&nbsp;Shibiao Wang ,&nbsp;Haiqi Zheng ,&nbsp;Xiaopo Wang","doi":"10.1016/j.jct.2024.107263","DOIUrl":"10.1016/j.jct.2024.107263","url":null,"abstract":"<div><p><span><span><span>The increasing concerns of global warming impact of traditional HFC refrigerants drives the requirement for alternatives more urgent. Due to the excellent properties (zero ODP, extremely-low </span>GWP, nonflammable, nontoxic, etc.), 3,3,3-Trifluoropropene (R-1243zf) is attracting a lot of fashionable attention in the refrigeration and air conditioning (RAC) industry. To better understand the oil existence influence on the performance of an </span>evaporator, the vapor–liquid-phase equilibrium were measured for R-1243zf with PAG 68, PEC4, and POE 85 oils by an isochoric method between (298.15 and 343.15) K. The NRTL model was applied to correlate the phase-equilibrium data. The pressure-enthalpy-vapor quality (</span><em>p-h-X</em>) diagrams were plotted for R-1243zf and R-1243zf/lubricant blends with different oil-circulation mass fractions (<em>C_g</em>), and the differences in enthalpies were analyzed. There is a critical vapor quality (<em>X_cri</em>) between the isotherm curves. On the left side of <em>X_cri</em>, isotherm curves are almost identical. On the right side of <em>X_cri</em>, these curves separated gradually especially at high vapor quality.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139587832","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Speed of sound measurements in (carbon monoxide + ethane) and (carbon monoxide + propane) gas mixtures at T = (260 to 350) K and up to 12 MPa","authors":"José J. Segovia ,&nbsp;M. Carmen Martín ,&nbsp;Xavier Paredes ,&nbsp;Andrés Rojo ,&nbsp;Fredy Vélez ,&nbsp;David Vega-Maza","doi":"10.1016/j.jct.2024.107260","DOIUrl":"10.1016/j.jct.2024.107260","url":null,"abstract":"<div><p>Speed of sound data are reported for (carbon monoxide + ethane) and (carbon monoxide + propane) mixtures in the gas region at mole fractions of carbon monoxide of 0.25, 0.5 and 0.75 in the temperature range from 273.15 K to 350 K for mixtures containing ethane, and compositions <em>x</em>_CO = 0.5 and 0.75 at <em>T</em> = (260 to 350) K for mixtures with propane. Measurements are performed by means of a spherical acoustic resonator with an expanded relative uncertainty (<em>k</em> = 2) better than 250 parts in 10⁶. Experimental data are fitted to a virial type equation, obtaining standard deviations within the uncertainty of the measurements, and the adiabatic coefficient as perfect gas is derived from this fitting. Finally, all these data are compared to GERG-2008 and AGA92-DC equations of state, which are used as reference in the gas industry.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0021961424000132/pdfft?md5=042267d5dac0259f4f248148fc317a6d&pid=1-s2.0-S0021961424000132-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139587957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Physicochemical properties, theoretical modelling and molecular interaction analysis in ternary liquid mixtures containing 1-propanol, 1,3-diaminopropane and ethyl acetate at temperature 298.15–318.15 K","authors":"Deepak Parmar ,&nbsp;Manju Rani ,&nbsp;Naveen Kumar ,&nbsp;Noureddine Issaoui ,&nbsp;Omar M. Al-Dossary ,&nbsp;Mustapha Sahal ,&nbsp;Seetu Rana ,&nbsp;Leda G. Bousiakoug","doi":"10.1016/j.jct.2024.107262","DOIUrl":"10.1016/j.jct.2024.107262","url":null,"abstract":"<div><p>In the present report, density (<span><math><mi>ρ</mi></math></span>), viscosity (<span><math><mi>η</mi></math></span>), speed of sound (<span><math><mi>u</mi></math></span>) and refractive index (<span><math><msub><mi>n</mi><mi>D</mi></msub></math></span>) of ternary liquid mixture containing 1-propanol (1P) (1) + 1,3-diaminopropane (1,3-DAP) (2) + ethyl acetate (EAc) (3) were measured at five different temperatures (T = 298.15 to 318.15 K) and at 0.1 MPa pressure. Data of <span><math><mi>ρ</mi></math></span>, <span><math><mi>η</mi></math></span>, <span><math><mi>u</mi></math></span> and <span><math><msub><mi>n</mi><mi>D</mi></msub></math></span> were used to compute the excess molar volume, <span><math><msubsup><mi>V</mi><mi>m</mi><mi>E</mi></msubsup></math></span>, deviation in viscosity, <span><math><mrow><mi>Δ</mi><mi>η</mi></mrow></math></span>, deviation in ultrasonic speed, <span><math><mrow><mi>Δ</mi><mi>u</mi></mrow></math></span>, excess isentropic compressibility, <span><math><msubsup><mi>k</mi><mi>s</mi><mi>E</mi></msubsup></math></span>, excess free volume, <span><math><msubsup><mi>V</mi><mrow><mi>f</mi></mrow><mi>E</mi></msubsup></math></span>, excess intermolecular free length, <span><math><msubsup><mi>L</mi><mi>f</mi><mi>E</mi></msubsup></math></span>, excess available volume, <span><math><msubsup><mi>V</mi><mi>a</mi><mi>E</mi></msubsup></math></span>, and deviation in refractive index, <span><math><mrow><mi>Δ</mi><msub><mi>n</mi><mi>D</mi></msub></mrow></math></span>, and these computed physicochemical properties were fitted to Singh equation. The <span><math><msubsup><mi>V</mi><mi>m</mi><mi>E</mi></msubsup></math></span> data were fitted to the Nagata and Cibulka equations. Further, Kohler model, Tsao-Smith model, Radojkovic model, Jacob-Fitzner model and Rastogi model were used to calculate the <span><math><msubsup><mi>V</mi><mi>m</mi><mi>E</mi></msubsup></math></span> values. The speed of sound data was analyzed by various correlations such as Van Dael, Nomato, Impedance dependence, Schaaff’s collision factor theory (CFT) and Jacobson’s free length theory (JFLT). Various correlations like Heller, Arago-Biot, Lorentz-Lorenz, Erying, Newton, Gladstone-Dale, and Weiner were used to correlate <span><math><msub><mi>n</mi><mi>D</mi></msub></math></span> data.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139588382","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Determination of the solubility, dissolution enthalpy and entropy of 2,4-diaminotoluene, methyl 3-amino-4-methyl-N-phenyl carbamate and dimethyl toluene-2,4-dicarbamate in different solvents","authors":"Yucong Song,&nbsp;Mingchuan Pang,&nbsp;Xiaoshu Ding,&nbsp;Guirong Wang,&nbsp;Xinqiang Zhao,&nbsp;Yanji Wang","doi":"10.1016/j.jct.2024.107261","DOIUrl":"10.1016/j.jct.2024.107261","url":null,"abstract":"<div><p>The solubilities of 2,4-diaminotoluene (2,4-TDA), methyl 3-amino-4-methyl-<em>N</em>-phenyl carbamate (4-TMC) and dimethyl toluene-2,4-dicarbamate (2,4-TDC) in dimethyl carbonate (DMC) and di(2-ethylhexyl) phthalate (DOP) were determined by dynamic method at 298.15 ∼ 398.15 K under atmospheric pressure. The solubility data were correlated by the modified Apelblat equation, polynomial equation and simplified two-parameter equation. The modified Apelblat equation was more accurate than the others. In addition, the thermodynamic properties of the solution process, including the Gibbs energy, enthalpy and entropy were calculated by the modified Van't Hoff equation. The dissolution process of 2,4-TDC in DOP solvent is a non-spontaneous entropy reduction endothermic process. The dissolution processes of 2,4-TDA, 4-TMC and 2,4-TDC in DMC solvent and 2,4-TDA and 4-TMC in DOP solvent are all non-spontaneous entropy-increasing endothermic processes.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139518365","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}