Journal of Chemical Thermodynamics最新文献

{"title":"Thermodynamic and transport properties of binary mixtures containing 1,2-propanediol with 2-methoxyethanol and 2-ethoxyethanol at different temperatures","authors":"Subhasri Ganji , T.S. Krishna , D. Venkatesan , Ranjan Day , D. Ramachandran","doi":"10.1016/j.jct.2024.107396","DOIUrl":"10.1016/j.jct.2024.107396","url":null,"abstract":"<div><div>In the present investigation density, speed of sound, and viscosity have been reported for binary liquid mixtures of 1,2-propanediol (1,2-PD) with 2-methoxyethanol (2-ME) and 2-ethoxyethanol (2-EE) over the entire composition range at T= (298.15–323.15) K. From the experimental data, excess molar volume, (<span><math><msubsup><mi>V</mi><mi>m</mi><mi>E</mi></msubsup></math></span>), excess isentropic compressibility, (<span><math><msubsup><mi>κ</mi><mi>s</mi><mi>E</mi></msubsup></math></span>), excess molar isentropic compressibility, (<span><math><msubsup><mi>κ</mi><mrow><mi>s</mi><mo>,</mo><mi>m</mi></mrow><mi>E</mi></msubsup></math></span>), excess speed of sound, (<span><math><msup><mi>u</mi><mi>E</mi></msup></math></span>), excess isobaric thermal expansion,<span><math><msubsup><mi>α</mi><mrow><mi>p</mi></mrow><mi>E</mi></msubsup></math></span>, and deviation in viscosity (<span><math><mrow><mi>Δ</mi><mi>η</mi></mrow></math></span>) of liquid mixtures have been calculated. The excess partial molar volume,<span><math><msubsup><mover><mrow><mi>V</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>m</mi><mo>,</mo><mn>1</mn></mrow><mi>E</mi></msubsup></math></span>, <span><math><msubsup><mover><mrow><mi>V</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>m</mi><mo>,</mo><mn>2</mn></mrow><mi>E</mi></msubsup></math></span> , excess partial molar isentropic compressibility, <span><math><msubsup><mover><mrow><mi>K</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>s</mi><mo>,</mo><mi>m</mi><mo>,</mo><mn>1</mn></mrow><mi>E</mi></msubsup></math></span><span><math><msubsup><mover><mrow><mi>K</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>s</mi><mo>,</mo><mi>m</mi><mo>,</mo><mn>2</mn></mrow><mi>E</mi></msubsup></math></span> over the whole composition range together with partial molar volume,<span><math><msubsup><mover><mrow><mi>V</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>m</mi><mo>,</mo><mn>1</mn></mrow><mn>0</mn></msubsup></math></span>, <span><math><msubsup><mover><mrow><mi>V</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>m</mi><mo>,</mo><mn>2</mn></mrow><mn>0</mn></msubsup></math></span>, partial molar isentropic compressibility <span><math><msubsup><mover><mrow><mi>K</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>s</mi><mo>,</mo><mi>m</mi><mo>,</mo><mn>1</mn></mrow><mn>0</mn></msubsup></math></span>,<span><math><msubsup><mover><mrow><mi>K</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>s</mi><mo>,</mo><mi>m</mi><mo>,</mo><mn>2</mn></mrow><mn>0</mn></msubsup></math></span>, excess partial molar volume,<span><math><msubsup><mover><mrow><mi>V</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>m</mi><mo>,</mo><mn>1</mn></mrow><mrow><mn>0</mn><mi>E</mi></mrow></msubsup></math></span>, <span><math><msubsup><mover><mrow><mi>V</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>m</mi><mo>,</mo><mn>2</mn></mrow><mrow><mn>0</mn><mi>E</mi></mrow></msubsup></math></span> and excess partial molar isentropic compressibil","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"201 ","pages":"Article 107396"},"PeriodicalIF":2.2,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142328299","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":"Insight into molecular interactions prevailing in N,N-dimethylformamide + alkyl acrylates mixtures at different temperatures: An experimental and theoretical investigation","authors":"Anil Kumar Nain,&nbsp;Nidhi","doi":"10.1016/j.jct.2024.107393","DOIUrl":"10.1016/j.jct.2024.107393","url":null,"abstract":"<div><div>The excess isentropic compressibility, excess speed of sound, excess molar isentropic compressibility and deviation in viscosity were evaluated from the experimental values of speeds of sound and viscosities of N,N-dimethylformamide + methyl acrylate/ethyl acrylate/<em>n</em>-butyl acrylate binary mixtures over the entire composition range at temperatures (288.15–318.15) K and pressure (101 kPa). Further, the partial molar isentropic compressibility; excess partial molar isentropic compressibility of the components over the entire composition range and also at infinite dilution have been calculated. These evaluated parameters have been interpreted in relations to prevailing interactions in these mixtures. These interactions were found dependent on the size of alkyl group in acrylate molecules and the amide-acrylate interactions decline with increase in size of the alkyl group. Moreover, the speeds of sound for the mixtures were calculated by scaled particle theory and the results compared well with the experimental results. Also, the viscosities of these mixtures were correlated by means of various empirical relations and the results were found in good agreement with the experimental results.</div></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"201 ","pages":"Article 107393"},"PeriodicalIF":2.2,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142419881","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":"The study of thermodynamic properties of diethylene glycol monoethyl ether with 2-alkanols (C3 − C7) with use of PFP and ERAS modeling","authors":"F.P. Chegini ,&nbsp;H. Iloukhani ,&nbsp;Kh. Khanlarzadeh","doi":"10.1016/j.jct.2024.107392","DOIUrl":"10.1016/j.jct.2024.107392","url":null,"abstract":"<div><div>Thermodynamic properties like excess volume <span><math><msubsup><mi>V</mi><mrow><mi>m</mi></mrow><mi>E</mi></msubsup></math></span>, excess partial volume <span><math><mrow><msubsup><mover><mrow><mi>V</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>m</mi><mo>,</mo><mi>i</mi></mrow><mi>E</mi></msubsup><mo>,</mo></mrow></math></span> in isentropic compressibility deviations Δ <span><math><msub><mi>K</mi><mi>s</mi></msub></math></span>, and refractive index deviations <span><math><mrow><mi>Δ</mi><msub><mi>n</mi><mi>D</mi></msub><mo>,</mo><mspace></mspace></mrow></math></span> have been calculated based on experimental density <em>ρ</em>, speed of sound <em>u</em>, and refractive index <span><math><msub><mi>n</mi><mrow><mi>D</mi><mo>,</mo><mspace></mspace><mspace></mspace></mrow></msub></math></span> by an Anton Paar / DSA 5000/ densimeter and Anton Paar Abbemat / 500/ refractometer. The systems of diethylene glycol monoethyl ether (DEGEE) + 2-propanol, or + 2-butanol, or + 2-pentanol, or + 2-hexanol, or + 2-heptanol, were given at <em>T</em> = (298.15–318.15) in 10 K intervals at ambient pressure (81.5 kPa) have been investigated. Data was fitted by Redlich-Kister relation.<span><math><msubsup><mrow><mspace></mspace><mi>T</mi><mi>h</mi><mi>e</mi><mi>V</mi></mrow><mrow><mi>m</mi></mrow><mi>E</mi></msubsup></math></span> is negative for + 2-propanol and positive sign for other systems observed. The Δ <span><math><msub><mi>K</mi><mi>s</mi></msub></math></span> is negative for all systems, except for + 2-heptanol system is positive. The <span><math><mrow><mi>Δ</mi><msub><mi>n</mi><mi>D</mi></msub></mrow></math></span> is negative for + 2-hexanol or + 2-heptanol systems and is positive for all the rest. The The intermolecular interactions and structure factors were discussed for the binary mixtures. In addition the Prigogine–Flory–Patterson theory (PFP) and Extended Real Associated Solutions (ERAS) models were used to correlate <span><math><msubsup><mi>V</mi><mrow><mi>m</mi></mrow><mi>E</mi></msubsup></math></span> data of binary mixtures. The fitting data for all systems reasonable consistency with experimental data for all the systems.</div></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"201 ","pages":"Article 107392"},"PeriodicalIF":2.2,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142314600","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":"Unveiling the intermolecular interactions in ethyl acetate + polyethylene glycol 200/300/400/600 binary mixtures by using densities, speeds of sound, excess properties and FTIR spectra at different temperatures","authors":"Nidhi,&nbsp;Anil Kumar Nain","doi":"10.1016/j.jct.2024.107391","DOIUrl":"10.1016/j.jct.2024.107391","url":null,"abstract":"<div><div>The intermolecular interactions in ethyl acetate + polyethylene glycols (PEG) mixtures were examined by means of the excess and partial molar properties and FTIR spectra. The measurements of density and speed of sound of ethyl acetate + polyethylene glycols (PEG 200, PEG 300, PEG 400 and PEG 600) binary mixtures have been carried out over whole composition range at temperature from 293.15  K to 323.15  K and pressure, p = 100  kPa. The <em>ρ</em> and <em>u</em> data have been used to calculate excess properties, <em>viz.</em>, excess molar volume, excess isentropic compressibility, excess intermolecular free length, excess speed of sound and excess molar isentropic compressibility. In addition, the partial molar volume/compressibility; excess partial molar volume/compressibility of the components over the entire composition range, and at infinite dilution have also been calculated. The variations in these properties with composition and temperature have been conversed in terms of existing intermolecular interactions in these mixtures. The ethyl acetate-PEG interactions in these mixtures follow the order: PEG 600 &gt; PEG 400 &gt; PEG 300 &gt; PEG 200. The speeds of sound were estimated theoretically by using the scaled particle theory and were compared with the experimental values. Furthermore, FT-IR spectra of pure ethyl acetate, PEG 200 and their equimolar mixture were also recorded and analysed to confirm the prevailing intermolecular interactions.</div></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"201 ","pages":"Article 107391"},"PeriodicalIF":2.2,"publicationDate":"2024-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142328298","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":"Volumetric properties and refractive indices of butanol isomers + diethyl phthalate binary mixtures at T = (293.15, 303.15 and 313.15 K) and atmospheric pressure (0.082 MPa)","authors":"Omer El-Amin Ahmed Adam","doi":"10.1016/j.jct.2024.107383","DOIUrl":"10.1016/j.jct.2024.107383","url":null,"abstract":"<div><p>The density (<em>ρ</em>), and refractive index (n_D) of three binary mixtures containing 1-butanol, 2-butanol, and 2-methyl-2-propanol with diethyl phthalate (DEP) were studied over the whole range of composition at different temperatures from 293.15 to 313.15 K, and atmospheric pressure (0.082 MPa). Experimental data were used to calculate the excess molar volumes (<span><math><mrow><msubsup><mi>V</mi><mrow><mi>m</mi></mrow><mi>E</mi></msubsup></mrow></math></span>) and deviation in refractive indices (<span><math><mrow><mi>Δ</mi><msub><mi>n</mi><mi>D</mi></msub></mrow></math></span>). The experimental density values were used to calculate the partial molar volumes (<span><math><mrow><msub><mover><mrow><mi>V</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>m</mi><mo>,</mo><mi>i</mi></mrow></msub></mrow></math></span>), apparent molar volumes (<span><math><mrow><msub><mi>V</mi><mrow><mi>∅</mi><mo>,</mo><mi>i</mi></mrow></msub></mrow></math></span>), partial molar volumes at infinite dilution (<span><math><mrow><msubsup><mover><mrow><mi>V</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>m</mi><mo>,</mo><mi>i</mi></mrow><mi>∞</mi></msubsup></mrow></math></span>), and excess partial molar volumes (<span><math><mrow><msubsup><mover><mrow><mi>V</mi></mrow><mrow><mo>¯</mo></mrow></mover><mrow><mi>m</mi><mo>,</mo><mi>i</mi></mrow><mi>E</mi></msubsup></mrow></math></span>)<em>.</em> A Redlich-Kister type polynomial equation is used with the method of least-squares to set up a correlation between excess molar volumes and deviation in refractive indices, leading to the estimation of binary coefficients and standard errors. Theoretical refractive index values were calculated using seven relations, namely Arago–Biot (A–B), Dale–Gladstone (D–G), Lorentz–Lorenz (L–L), Heller (H), Weiner (W), Newton (Nw) and Eyring and John (E-J). This study examines how composition and temperature affect the variation of parameters in these mixtures, considering molecular interactions. Experimental data and results provide useful information for further thermodynamic studies of alcohol-ester mixtures.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"201 ","pages":"Article 107383"},"PeriodicalIF":2.2,"publicationDate":"2024-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142229194","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 equilibrium and distribution in pharmaceutically relevant media of cardiovascular sotalol hydrochloride","authors":"Svetlana V. Blokhina,&nbsp;Angelica V. Sharapova,&nbsp;Marina V. Ol’khovich","doi":"10.1016/j.jct.2024.107362","DOIUrl":"10.1016/j.jct.2024.107362","url":null,"abstract":"<div><p>The shake-flask method was used to determine the solubility of sotalol hydrochloride (STL), a cardiovascular drug, in solvents modeling a variety of body media within the temperature range (293.15–313.15) K. In the descending order of the drug solubility the solvents can be arranged as follows: buffer pH 2.0, buffer pH 7.4, 1-octanol, n-hexane. The experimental values of solubility of the drug in aqueous solvents agree well with the calculated values of the pH-solubility profile. The study shows that the maximum solubility of the salt is observed within the pH range from 2.9 to pH_max equal to 6.1. Temperature dependencies of the STL distribution coefficients were obtained in 1-octanol/buffer pH 7.4 and n-hexane/buffer pH 7.4 systems. Since the values of the partition coefficients of hydrophilic STL are low, it was concluded that the diffusion through the lipid biolayer of cell membranes was unfavorable and that the paracellular transport of the drug molecules might prevail. The thermodynamic functions of dissolution and transfer were calculated and discussed taking into account the physicochemical properties of STL and the solvents used.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"200 ","pages":"Article 107362"},"PeriodicalIF":2.2,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142049124","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":"Estimation of transport properties and phase equilibrium of water or ethanol binary mixtures with ionic liquids","authors":"Elena Graczová,&nbsp;Pavol Steltenpohl","doi":"10.1016/j.jct.2024.107367","DOIUrl":"10.1016/j.jct.2024.107367","url":null,"abstract":"<div><p>Density and viscosity of two trifluoromethanesulfonate-based ionic liquids: 1-ethylimidazolium trifluoromethanesulfonate, [Eim][Triflate], and 1-ethylpyridinium trifluoromethanesulfonate, [Epy][Triflate], as well as binary mixtures of these ILs with water or ethanol were measured within the temperature range of 293.15–333.15 K. Measured density data were used to calculate the excess molar volume and the component partial molar volume and the obtained values were fitted using the Redlich-Kister expansion. Variation of viscosity with the binary mixture composition and temperature was modeled using the Jouyban-Acree model. Data on the vapor−liquid equilibrium (VLE) of the respective ionic liquids with water and ethanol were estimated at atmospheric pressure over a wide range of IL concentrations (up to 70 mol% of IL). For the boiling point temperature measurement of four respective binaries, an adapted Siwoloboff procedure was used. To describe VLE of these binary mixtures, ideal vapor phase and real liquid phase behavior were assumed; experimental isobaric <em>t</em>–<em>x</em> data were correlated with the NRTL model.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"201 ","pages":"Article 107367"},"PeriodicalIF":2.2,"publicationDate":"2024-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142147829","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":"Difenoconazole solubility in acetonitrile/N,N-dimethylformamide/acetone + water and quantum chemistry study into inter/intra-molecular interactions","authors":"Chaobin Ren ,&nbsp;Hongkun Zhao","doi":"10.1016/j.jct.2024.107366","DOIUrl":"10.1016/j.jct.2024.107366","url":null,"abstract":"<div><p>The difenoconazole solubilities in acetonitrile/acetone/<em>N</em>,<em>N</em>-dimethylformamide (DMF) + water systems were acquired experimentally with the help of the isothermal shake-flask technique. Analysis of X-ray power diffraction revealed that difenoconazole did not exhibit any crystal transition as well as solvate formation. The solubility acquired here was accurately correlated, which yielded relative average deviations (<em>RAD</em>) of ≤4.99 % and a root-mean-square deviation of ≤20.59 × 10⁻⁵ through the Jouyban-Acree and modified van’t Hoff-Jouyban-Acree models Additionally, to explain the solubility behavior at a temperature of 298.15 K, this work examines the acetonitrile/acetone/DMF + water and the previously published methanol/ethanol/isopropanol/PG + water blends utilizing the extended Hildebrand solubility technique. The <em>RAD</em> levels remained below 6.88 %. The dipolarity-polarizability and the solubility parameter of blended solvents exert a substantial impact on the variability of difenoconazole solubility. The preferred solvation of difenoconazole at a temperature of 298.15 K was examined through the inverse Kirkwood-Buff integrals. The solvation parameters’ values of difenoconazole were positive in blends containing methanol, acetone, DMF, ethanol, isopropanol, and acetonitrile with moderate and rich compositions. This indicates that difenoconazole is preferentially solvated by them in above composition ranges. A shift from an enthalpy-driven mechanism to an entropy-driven one was revealed through an analysis of the thermodynamics of the entropy-enthalpy relationship in the dissolution of difenoconazole in blends. Furthermore, the mean local ionization energy, Hirshfeld surface as well as molecular surface electrostatic potential were employed to illustrate the microscopic electrostatic characteristics. The <img>N<img> and <img>N<img> groups in the five-membered ring of difenoconazole molecule are the primary sites for electrophilic attack. The weak contacts of difenoconazole-solvent were demonstrated with the help of a Hirshfeld partition analysis-based independent gradient model.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"200 ","pages":"Article 107366"},"PeriodicalIF":2.2,"publicationDate":"2024-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141979634","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":"A new method to calculate and predict thermodynamic properties of nonpolar, polar and quantum fluids at high temperatures","authors":"Liu Xu ,&nbsp;Shu-Zhou Peng ,&nbsp;Zhen Yang ,&nbsp;Yuan-Yuan Duan","doi":"10.1016/j.jct.2024.107361","DOIUrl":"10.1016/j.jct.2024.107361","url":null,"abstract":"<div><p>As the only known equation of state (EOS) with the rigid theoretical foundation, the virial equation of state (VEOS) can be reliable enough to describe real-gas imperfection for low-to-moderate densities when truncated after the second or third virial coefficient. In our previous work, on the basis of the corresponding state principle, the generalized second and third virial coefficient models were proposed for nonpolar, polar and quantum fluids in a wide temperature range. In this work, combined with the ideal heat capacities, the high-temperature performance of the truncated VEOSs was evaluated on derived thermodynamic properties including speed of sound, isobaric heat capacity, entropy and internal energy. The criterion for being “valid” is defined as 1% relative deviation from the multiparameter EOSs, and this work presents the valid density and pressure regions of the truncated VEOSs for the derived thermodynamic properties. The truncated VEOSs have valid densities of the saturated densities below the critical temperatures, and have valid densities that tend to be constant beyond the critical temperatures. The SRK EOS is chosen as the representative of generalized EOSs. By the comparisons with the SRK EOS, the truncated VEOSs show the advantage in stability and universality. The truncated VEOSs can give a reliable extrapolation with wide applicable pressure ranges at high temperatures for nonpolar, polar and quantum fluids. The applicable density regions of the truncated VEOSs for derived thermodynamic properties are recommended to be the valid density regions of the <em>pvT</em> property. The applicable temperature ranges of the truncated VEOSs for derived thermodynamic properties are determined by the temperature ranges of the available ideal heat capacity data.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"199 ","pages":"Article 107361"},"PeriodicalIF":2.2,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141985252","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":"Solubility measurement and data correlation of 2-ethoxy-1-naphthoic acid in twelve pure solvents at temperatures from 278.15 to 323.15 K","authors":"Haowei Yuan,&nbsp;Jing Yang,&nbsp;Mengling Wang,&nbsp;Huimin Li,&nbsp;Yu Li,&nbsp;Tao Li,&nbsp;Baozeng Ren","doi":"10.1016/j.jct.2024.107365","DOIUrl":"10.1016/j.jct.2024.107365","url":null,"abstract":"<div><p>The solubility of 2-ethoxy-1-naphthoic acid was determined experimentally in 12 pure solvents (methanol, ethanol, n-propanol, i-propanol, i-butanol, n-pentanol, methyl acetate, ethyl acetate, n-propyl acetate, i-propyl acetate, acetone and acetonitrile) using the gravimetric method in the temperature range of 278.15 K to 323.15 K at atmospheric pressure. The study found that solubility increased with temperature, with acetone exhibiting the highest solubility and acetonitrile the lowest at 298.15 K. Furthermore, the influence of solvent properties on solubility, such as polarity and dielectric constant, was analyzed, showing a positive correlation. Mathematical models (including modified Apelblat, NRTL, Margules, UNIQUAC and λh models) were employed to analyze the dissolution process, with the modified Apelblat model providing the best fit to the experimental data. Additionally, thermodynamic properties of the dissolution process were obtained using the Van’t Hoff equation, indicating an entropy-increasing process with heat absorption. Overall, this study elucidates the solubility behavior and related mechanisms of 2-ethoxy-1-naphthoic acid in various solvents, providing theoretical support for its application in solution systems.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"200 ","pages":"Article 107365"},"PeriodicalIF":2.2,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141937913","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}