Three vertical sections, X(LiNO3)/X(NaNO3) = 3/2; X(LiNO3) = 0.15 and X(NaNO3)/X(TlNO3) = 1/9 of the LiNO3 + NaNO3 + TlNO3 ternary system have been investigated using simultaneous direct and differential thermal analysis (STA/DTA) and differential scanning calorimetry (DSC) techniques. A thermodynamic optimization was carried out, considering reliable experimental data from the literature and the present work. The calculated vertical sections agreed well with the experimental results.
Two invariant reactions involving the liquid phase were found: a ternary eutectic and a U-type reactions at (384 ± 1) K and (418 ± 1) K, respectively. The melting enthalpy of the ternary eutectic mixture was found to be (85 ± 4) kJ/kg. Revised values of the phase change properties (temperature and enthalpy) of pure TlNO3 were proposed.
{"title":"Phase diagram of the isobaric ternary LiNO3 + NaNO3 + TlNO3 system","authors":"Belgacem Assel , David Boa , Hmida Zamali , Dalila Hellali","doi":"10.1016/j.jct.2025.107613","DOIUrl":"10.1016/j.jct.2025.107613","url":null,"abstract":"<div><div>Three vertical sections, <em>X</em>(LiNO<sub>3</sub>)/<em>X</em>(NaNO<sub>3</sub>) = 3/2; <em>X</em>(LiNO<sub>3</sub>) = 0.15<span><math><mo>,</mo></math></span> and <em>X</em>(NaNO<sub>3</sub>)/<em>X</em>(TlNO<sub>3</sub>) = 1/9 of the LiNO<sub>3</sub> + NaNO<sub>3</sub> + TlNO<sub>3</sub> ternary system have been investigated using simultaneous direct and differential thermal analysis (STA/DTA) and differential scanning calorimetry (DSC) techniques. A thermodynamic optimization was carried out, considering reliable experimental data from the literature and the present work. The calculated vertical sections agreed well with the experimental results.</div><div>Two invariant reactions involving the liquid phase were found: a ternary eutectic and a U-type reactions at (384 ± 1) K and (418 ± 1) K, respectively. The melting enthalpy of the ternary eutectic mixture was found to be (85 ± 4) kJ/kg. Revised values of the phase change properties (temperature and enthalpy) of pure TlNO<sub>3</sub> were proposed.</div></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"214 ","pages":"Article 107613"},"PeriodicalIF":2.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145600526","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}
Pub Date : 2026-03-01Epub Date: 2026-01-06DOI: 10.1016/j.jct.2026.107625
El Houssaine Benaddi, My Rachid Laamari
This study aims to develop a high-performance activated carbon (AC) from prickly pear seed cake powder (PPSC) to address current limitations in the removal of cationic dyes from water. The optimized adsorbent, produced through H₃PO₄ impregnation at a 1:1 (g:mL) ratio (AC-PPSC1–1) and followed by carbonization at optimal conditions, was extensively characterized to determine its structural, chemical, and surface properties. SEM analyses revealed a well-developed microporous structure, while EDX confirmed its elemental composition. BET measurements showed a high specific surface area of 433.5647 m2·g−1 with dominant microporosity. FT-IR spectroscopy identified key functional groups including OH, CO, CH, phosphorus bands (PO, P-O-C, POOH), and CO supporting the proposed adsorption mechanisms. XRD analysis confirmed the amorphous nature of the material, and pHPZC and zeta potential measurements clarified the surface charge characteristics. Batch experiments, supported by kinetic and isotherm modeling, showed that methylene blue (MB) adsorption onto AC-PPSC1–1 follows pseudo-second-order kinetics and fits the Freundlich isotherm, indicating multilayer physisorption. Thermodynamic analysis further demonstrated that the process is rapid, favorable, and exothermic. Under optimized conditions (pH 6, 0.02 g of AC-PPSC1–1, MB concentration 9.38 × 10−5 mol·kg−1, 298 K, and 50 mL of solution), the adsorbent achieved a removal efficiency of 97.32 % and an equilibrium adsorption capacity of 85.65 mg·g−1 (0.2678 mol.kg−1). Overall, AC-PPSC1–1 emerges as a highly efficient, low-cost, and environmentally friendly adsorbent, offering a valuable contribution to the literature on biomass-derived activated carbons and providing an effective solution for the removal of cationic organic pollutants from aqueous environments.
{"title":"Facile synthesis of low-cost porous activated carbon and the adsorption properties: Characterization, optimization, kinetic models, and thermodynamic study","authors":"El Houssaine Benaddi, My Rachid Laamari","doi":"10.1016/j.jct.2026.107625","DOIUrl":"10.1016/j.jct.2026.107625","url":null,"abstract":"<div><div>This study aims to develop a high-performance activated carbon (AC) from prickly pear seed cake powder (PPSC) to address current limitations in the removal of cationic dyes from water. The optimized adsorbent, produced through H₃PO₄ impregnation at a 1:1 (g:mL) ratio (AC-PPSC<sub>1–1</sub>) and followed by carbonization at optimal conditions, was extensively characterized to determine its structural, chemical, and surface properties. SEM analyses revealed a well-developed microporous structure, while EDX confirmed its elemental composition. BET measurements showed a high specific surface area of 433.5647 m<sup>2</sup>·g<sup>−1</sup> with dominant microporosity. FT-IR spectroscopy identified key functional groups including O<img>H, C<img>O, C<img>H, phosphorus bands (P<img>O, P-O-C, P<img>OOH), and C<img>O supporting the proposed adsorption mechanisms. XRD analysis confirmed the amorphous nature of the material, and pH<sub>PZC</sub> and zeta potential measurements clarified the surface charge characteristics. Batch experiments, supported by kinetic and isotherm modeling, showed that methylene blue (MB) adsorption onto AC-PPSC<sub>1–1</sub> follows pseudo-second-order kinetics and fits the Freundlich isotherm, indicating multilayer physisorption. Thermodynamic analysis further demonstrated that the process is rapid, favorable, and exothermic. Under optimized conditions (pH 6, 0.02 g of AC-PPSC<sub>1–1</sub>, MB concentration 9.38 × 10<sup>−5</sup> mol·kg<sup>−1</sup>, 298 K, and 50 mL of solution), the adsorbent achieved a removal efficiency of 97.32 % and an equilibrium adsorption capacity of 85.65 mg·g<sup>−1</sup> (0.2678 mol.kg<sup>−1</sup>). Overall, AC-PPSC<sub>1–1</sub> emerges as a highly efficient, low-cost, and environmentally friendly adsorbent, offering a valuable contribution to the literature on biomass-derived activated carbons and providing an effective solution for the removal of cationic organic pollutants from aqueous environments.</div></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"214 ","pages":"Article 107625"},"PeriodicalIF":2.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145938422","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}
Pub Date : 2026-03-01Epub Date: 2025-12-06DOI: 10.1016/j.jct.2025.107620
Jing Xia, Zhigao Sun
Hydrate inhibitors can effectively prevent hydrate blockage in pipelines. Thermodynamic inhibitors suppress hydrate formation by altering hydrate phase equilibrium conditions. This paper primarily investigates the influence of 1,2,4-Triazole aqueous solutions at different concentrations on carbon dioxide hydrate dissociation conditions by the graphical method. 1,2,4-triazole can enhance hydrate formation pressure. With higher concentrations of 1,2,4-triazole, it has a stronger inhibitory influence on carbon dioxide hydrates. Compared to methanol and ethylene glycol, 1,2,4-triazole exhibits lower toxicity and better biodegradability, making it an environmentally friendly hydrate thermodynamic inhibitor. The nitrogen atoms in the molecular structure of 1,2,4-triazole possess polarity, enabling them to form strong hydrogen bond. This enhances competition for water molecules, decreasing the water for hydrate formation and consequently inhibiting hydrate nucleation.
{"title":"1,2,4-triazole as a new thermodynamic inhibitor of CO2 hydrate","authors":"Jing Xia, Zhigao Sun","doi":"10.1016/j.jct.2025.107620","DOIUrl":"10.1016/j.jct.2025.107620","url":null,"abstract":"<div><div>Hydrate inhibitors can effectively prevent hydrate blockage in pipelines. Thermodynamic inhibitors suppress hydrate formation by altering hydrate phase equilibrium conditions. This paper primarily investigates the influence of 1,2,4-Triazole aqueous solutions at different concentrations on carbon dioxide hydrate dissociation conditions by the graphical method. 1,2,4-triazole can enhance hydrate formation pressure. With higher concentrations of 1,2,4-triazole, it has a stronger inhibitory influence on carbon dioxide hydrates. Compared to methanol and ethylene glycol, 1,2,4-triazole exhibits lower toxicity and better biodegradability, making it an environmentally friendly hydrate thermodynamic inhibitor. The nitrogen atoms in the molecular structure of 1,2,4-triazole possess polarity, enabling them to form strong hydrogen bond. This enhances competition for water molecules, decreasing the water for hydrate formation and consequently inhibiting hydrate nucleation.</div></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"214 ","pages":"Article 107620"},"PeriodicalIF":2.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145749202","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}
Pub Date : 2026-03-01Epub Date: 2025-11-29DOI: 10.1016/j.jct.2025.107617
Daisuke Kodama , Mitsuhiro Kanakubo
This Comment addresses the paper by Al-Barghouti et al. (J. Chem. Thermodyn., 2024), which reports a “new” method for determining the gas solubility in nonvolatile solvents. By carefully examining the analytical framework and apparatus design, we show that their formulation is mathematically identical to that of the method originally developed by Kato et al. (J. Japan Petroleum Institute, 1992). A step-by-step derivation and variable mapping are provided to demonstrate their equivalence. While acknowledging the validity of their experimental data, this Comment clarifies the true origin of the methodology and aims to ensure that the pioneering contribution of the late Professor Kato is properly recognized.
{"title":"Comment on “A new method to combine high-pressure vapor–liquid equilibrium and thermophysical property measurements for low-volatility liquids and a gas” by Al-Barghouti et al., J. Chem. Thermodyn. 192 (2024) 107246","authors":"Daisuke Kodama , Mitsuhiro Kanakubo","doi":"10.1016/j.jct.2025.107617","DOIUrl":"10.1016/j.jct.2025.107617","url":null,"abstract":"<div><div>This Comment addresses the paper by Al-Barghouti et al. (<em>J. Chem. Thermodyn</em>., 2024), which reports a “new” method for determining the gas solubility in nonvolatile solvents. By carefully examining the analytical framework and apparatus design, we show that their formulation is mathematically identical to that of the method originally developed by Kato et al. (<em>J. Japan Petroleum Institute</em>, 1992). A step-by-step derivation and variable mapping are provided to demonstrate their equivalence. While acknowledging the validity of their experimental data, this Comment clarifies the true origin of the methodology and aims to ensure that the pioneering contribution of the late Professor Kato is properly recognized.</div></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"214 ","pages":"Article 107617"},"PeriodicalIF":2.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145797356","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}
Pub Date : 2026-02-01Epub Date: 2025-11-11DOI: 10.1016/j.jct.2025.107604
M. Melia Rodrigo , Almudena Crespo , Diana M. Galindres-Jiménez , Ana M.T.D.P.V. Cabral , Nicolás Espitia-Galindo , Ana C.F. Ribeiro , Artur J.M. Valente , Miguel A. Esteso
Measurements of both density and ternary mutual diffusion coefficients (D11, D12, D21, D22) are reported for aqueous solutions containing ethambutol dihydrochloride (ethambutol, EMB) (component 1) and different cyclodextrins (that is, α–CD, β–CD, and γ–CD) (component 2) at 298.15 K and at pressure P = 101.3 kPa. The apparent molar volumes, Vφ, were evaluated from the measured densities, ρ, for α–CD, β–CD and γ–CD in aqueous ethambutol solutions at 298.15 K and at pressure P = 101.3 kPa. Furthermore, transfer partial molar volumes at infinite dilution, ΔVφ, are discussed in terms of solute–solute and solute–solvent interactions occurring in the ternary solutions of the present study. These physicochemical properties of this drug in the presence of CDs in aqueous solution provide information that allows us to understand the interactions that are taking place in these systems, and it contributes to proposing mechanisms of the drug transfer process in solution. From ΔVφ0 values different from zero, and negative experimental D21 values, showing that coupled diffusion is not negligible, especially in the case of aqueous ternary system (EMB + β–CD), we can infer that, under these circumstances, the solutes interact with each other, with strong indications of formation of host-guest complexes between each CD and EMB. These findings are supported by computational calculations using Density Functional Theory (DFT).
{"title":"Interaction between cyclodextrins and ethambutol as seen by volumetric and diffusion properties, and computational study","authors":"M. Melia Rodrigo , Almudena Crespo , Diana M. Galindres-Jiménez , Ana M.T.D.P.V. Cabral , Nicolás Espitia-Galindo , Ana C.F. Ribeiro , Artur J.M. Valente , Miguel A. Esteso","doi":"10.1016/j.jct.2025.107604","DOIUrl":"10.1016/j.jct.2025.107604","url":null,"abstract":"<div><div>Measurements of both density and ternary mutual diffusion coefficients (<em>D</em><sub>11</sub>, <em>D</em><sub>12</sub>, <em>D</em><sub>21</sub>, <em>D</em><sub>22</sub>) are reported for aqueous solutions containing ethambutol dihydrochloride (ethambutol, EMB) (component 1) and different cyclodextrins (that is, <em>α</em>–CD, <em>β</em>–CD, and <em>γ</em>–CD) (component 2) at 298.15 K and at pressure <em>P</em> = 101.3 kPa. The apparent molar volumes, <em>V</em><sub><em>φ</em></sub>, were evaluated from the measured densities, <em>ρ</em>, for <em>α</em>–CD, <em>β</em>–CD and <em>γ</em>–CD in aqueous ethambutol solutions at 298.15 K and at pressure <em>P</em> = 101.3 kPa. Furthermore, transfer partial molar volumes at infinite dilution, Δ<em>V</em><sub><em>φ</em></sub>, are discussed in terms of solute–solute and solute–solvent interactions occurring in the ternary solutions of the present study. These physicochemical properties of this drug in the presence of CDs in aqueous solution provide information that allows us to understand the interactions that are taking place in these systems, and it contributes to proposing mechanisms of the drug transfer process in solution. From Δ<em>V</em><sub><em>φ</em></sub><sup>0</sup> values different from zero, and negative experimental <em>D</em><sub>21</sub> values, showing that coupled diffusion is not negligible, especially in the case of aqueous ternary system (EMB + <em>β</em>–CD), we can infer that, under these circumstances, the solutes interact with each other, with strong indications of formation of host-guest complexes between each CD and EMB. These findings are supported by computational calculations using Density Functional Theory (DFT).</div></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"213 ","pages":"Article 107604"},"PeriodicalIF":2.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145520250","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}
Pub Date : 2026-02-01Epub Date: 2025-10-21DOI: 10.1016/j.jct.2025.107601
Wenju Liu, Bin Li, Han Wang, Peiya Cheng, Yuting Zhou, Shuanglin Zhang, Yanmin Shen, Shaofeng Wang
In this work, the equilibrium solubility of dimethyl 2,6-pyridinedicarboxylate (DMPD) was experimentally determined in twelve organic solvents (methyl acetate, dimethyl sulfoxide, tetrahydrofuran, ethyl acetate, isopropyl acetate, butyl acetate, amyl acetate, isopentyl acetate, methanol, ethanol, n-propanol, isopropanol) under atmospheric pressure (P = 0.1 MPa) at a temperature range of 278.15 K–323.15 K by static gravimetric method. Experimental measurements revealed a consistent positive correlation between temperature and solubility, demonstrating that the solubility of DMPD increased monotonically with temperature in all twelve investigated solvent systems. It was found that at a temperature of T = 323.15 K, the general order of DMPD solubility was as follows: dimethyl sulfoxide > methyl acetate > tetrahydrofuran > ethyl acetate > isopropyl acetate > butyl acetate > amyl acetate > isopentyl acetate > methanol > ethanol > n-propanol > isopropanol. Five models (Apelblat model, Yaws model, Wilson model, NRTL model, and Two-Suffix Margules Model) were applied to fit the solubility data. All five thermodynamic models were capable of achieving basically accurate simulations of DMPD solubility. Among them, the Yaws model exhibited an excellent simulation effect on the solubility results of DMPD. Through comprehensive molecular simulations, including Hirshfeld surface (HS) analysis and molecular electrostatic potential surface (MEPs) mapping, complemented by density functional theory (DFT) calculations, we demonstrate that the solvation mechanism of DMPD molecules primarily involves the facile formation of intermolecular hydrogen bonds between DMPD and solvent molecules. This process facilitates the disruption of intrinsic “N⋯H”, “O⋯H” and “H⋯H” hydrogen bonding networks within the crystalline lattice. Combined with van't Hoff calculations, the formation of hydrogen bonds leads to a lowering of the Gibbs free energy of the system, resulting in a more spontaneous solubilization of the DMPD molecule in solution. Finally, the dissolution process of DMPD was analyzed and visualised using molecular dynamics simulations.
{"title":"Solubility determination and dissolution mechanism of dimethyl 2,6-pyridinedicarboxylate in organic solvents: Experimental and simulation studies","authors":"Wenju Liu, Bin Li, Han Wang, Peiya Cheng, Yuting Zhou, Shuanglin Zhang, Yanmin Shen, Shaofeng Wang","doi":"10.1016/j.jct.2025.107601","DOIUrl":"10.1016/j.jct.2025.107601","url":null,"abstract":"<div><div>In this work, the equilibrium solubility of dimethyl 2,6-pyridinedicarboxylate (DMPD) was experimentally determined in twelve organic solvents (methyl acetate, dimethyl sulfoxide, tetrahydrofuran, ethyl acetate, isopropyl acetate, butyl acetate, amyl acetate, isopentyl acetate, methanol, ethanol, <em>n</em>-propanol, isopropanol) under atmospheric pressure (<em>P</em> = 0.1 MPa) at a temperature range of 278.15 K–323.15 K by static gravimetric method. Experimental measurements revealed a consistent positive correlation between temperature and solubility, demonstrating that the solubility of DMPD increased monotonically with temperature in all twelve investigated solvent systems. It was found that at a temperature of <em>T</em> = 323.15 K, the general order of DMPD solubility was as follows: dimethyl sulfoxide > methyl acetate > tetrahydrofuran > ethyl acetate > isopropyl acetate > butyl acetate > amyl acetate > isopentyl acetate > methanol > ethanol > <em>n</em>-propanol > isopropanol. Five models (Apelblat model, Yaws model, Wilson model, NRTL model, and Two-Suffix Margules Model) were applied to fit the solubility data. All five thermodynamic models were capable of achieving basically accurate simulations of DMPD solubility. Among them, the Yaws model exhibited an excellent simulation effect on the solubility results of DMPD. Through comprehensive molecular simulations, including Hirshfeld surface (HS) analysis and molecular electrostatic potential surface (MEPs) mapping, complemented by density functional theory (DFT) calculations, we demonstrate that the solvation mechanism of DMPD molecules primarily involves the facile formation of intermolecular hydrogen bonds between DMPD and solvent molecules. This process facilitates the disruption of intrinsic “N⋯H”, “O⋯H” and “H⋯H” hydrogen bonding networks within the crystalline lattice. Combined with van't Hoff calculations, the formation of hydrogen bonds leads to a lowering of the Gibbs free energy of the system, resulting in a more spontaneous solubilization of the DMPD molecule in solution. Finally, the dissolution process of DMPD was analyzed and visualised using molecular dynamics simulations.</div></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"213 ","pages":"Article 107601"},"PeriodicalIF":2.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145365351","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}
Pub Date : 2026-02-01Epub Date: 2025-10-21DOI: 10.1016/j.jct.2025.107598
Xueqiang Dong , Bo Tang , Bowen Sheng , Xiongwei Wang , Yanxing Zhao , Maoqiong Gong
In this work, compressed liquid density for the CO2 + R1234yf and CO2 + R1243zf binary mixture was measured based on a newly established isochoric apparatus. The measured density data of propane in the compressed liquid phase are used to calibrate the volume of the sample container, and the liquid phase density data of R1234yf are used to verify the reliability of the volume measurement. 18 data points for the CO2 + R1234yf mixture (xR1234yf = 0.747) and 17 data points for the CO2 + R1243zf mixture (xR1243zf = 0.827) are obtained, which cover the temperature and pressure ranges of 233.15–313.15 K and 1–15 MPa. The combined standard uncertainties of temperature, pressure, density, and composition are 90 mK, 25 kPa, 0.2 %, and 0.006. The experimental density data for the compressed liquid phase were correlated using the Peng-Robinson equation of state (EoS) with van der Waals (vdW) mixing rules. Compared with PR + vdW model and REFPROP 10.0, the average absolute relative deviation (AARD) for the CO2 + R1243zf mixture is 1.12 % and 0.86 %, and the AARD for the CO2 + R1234yf mixture is 0.21 % and 0.18 %. The data from other literature is used to compare the PR + vdW model based on experimental data from this work, and shows good consistency.
{"title":"Measurement and correlation of compressed liquid density for the CO2 + R1234yf and CO2 + R1243zf binary mixture by isochoric method","authors":"Xueqiang Dong , Bo Tang , Bowen Sheng , Xiongwei Wang , Yanxing Zhao , Maoqiong Gong","doi":"10.1016/j.jct.2025.107598","DOIUrl":"10.1016/j.jct.2025.107598","url":null,"abstract":"<div><div>In this work, compressed liquid density for the CO<sub>2</sub> + R1234yf and CO<sub>2</sub> + R1243zf binary mixture was measured based on a newly established isochoric apparatus. The measured density data of propane in the compressed liquid phase are used to calibrate the volume of the sample container, and the liquid phase density data of R1234yf are used to verify the reliability of the volume measurement. 18 data points for the CO<sub>2</sub> + R1234yf mixture (<em>x</em><sub>R1234yf</sub> = 0.747) and 17 data points for the CO<sub>2</sub> + R1243zf mixture (<em>x</em><sub>R1243zf</sub> = 0.827) are obtained, which cover the temperature and pressure ranges of 233.15–313.15 K and 1–15 MPa. The combined standard uncertainties of temperature, pressure, density, and composition are 90 mK, 25 kPa, 0.2 %, and 0.006. The experimental density data for the compressed liquid phase were correlated using the Peng-Robinson equation of state (EoS) with van der Waals (vdW) mixing rules. Compared with PR + vdW model and REFPROP 10.0, the average absolute relative deviation (AARD) for the CO<sub>2</sub> + R1243zf mixture is 1.12 % and 0.86 %, and the AARD for the CO<sub>2</sub> + R1234yf mixture is 0.21 % and 0.18 %. The data from other literature is used to compare the PR + vdW model based on experimental data from this work, and shows good consistency.</div></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"213 ","pages":"Article 107598"},"PeriodicalIF":2.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145365349","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}
Pub Date : 2026-02-01Epub Date: 2025-11-09DOI: 10.1016/j.jct.2025.107605
Huanxu Ji , Zenghui Li , Xinzi Zhou , Yi Deng , Jian Yang , Jiangtao Wu , Xianyang Meng
The density and viscosity of butylcyclohexane, cyclooctane and four cycloalkane mixtures (butylcyclohexane + cyclooctane, cyclohexane + cyclooctane, cyclohexane + methylcyclohexane + ethylcyclohexane, cyclohexane + methylcyclohexane + ethylcyclohexane + butylcyclohexane + cyclooctane) were measured by using the vibrating-tube densimeter and the vibrating-wire viscometer within the temperature range of (283.15 to 363.15) K and pressures up to 20 MPa. The combined expanded uncertainties (with a confidence level of 0.95, k = 2) are estimated to be 0.2 % for density and 2.3 % for viscosity. Density data were correlated with the modified Tait equation, while viscosity data were correlated using the modified Tait-Andrade equation. Deviations between experimental and calculated values for density and viscosity were within 0.04 % and 0.65 %, respectively.
{"title":"Density and viscosity measurements of butylcyclohexane, cyclooctane and four cycloalkane mixtures from (283 to 363) K at pressures up to 20 MPa","authors":"Huanxu Ji , Zenghui Li , Xinzi Zhou , Yi Deng , Jian Yang , Jiangtao Wu , Xianyang Meng","doi":"10.1016/j.jct.2025.107605","DOIUrl":"10.1016/j.jct.2025.107605","url":null,"abstract":"<div><div>The density and viscosity of butylcyclohexane, cyclooctane and four cycloalkane mixtures (butylcyclohexane + cyclooctane, cyclohexane + cyclooctane, cyclohexane + methylcyclohexane + ethylcyclohexane, cyclohexane + methylcyclohexane + ethylcyclohexane + butylcyclohexane + cyclooctane) were measured by using the vibrating-tube densimeter and the vibrating-wire viscometer within the temperature range of (283.15 to 363.15) K and pressures up to 20 MPa. The combined expanded uncertainties (with a confidence level of 0.95, <em>k</em> = 2) are estimated to be 0.2 % for density and 2.3 % for viscosity. Density data were correlated with the modified Tait equation, while viscosity data were correlated using the modified Tait-Andrade equation. Deviations between experimental and calculated values for density and viscosity were within 0.04 % and 0.65 %, respectively.</div></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"213 ","pages":"Article 107605"},"PeriodicalIF":2.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145520173","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}
Pub Date : 2026-02-01Epub Date: 2025-11-01DOI: 10.1016/j.jct.2025.107603
Sweety Verma , Kavitha Kumari , Suman Gahlyan , Ji Hoon Kim , Juwon Min , Sanjeev Maken
{"title":"Erratum to: “Volumetric, FT-IR, and optical properties of 2–amino-1-butanol with isomeric butanol at 298.15 K–318.15 K using PFP theory and graph theoretical approach” [J. Chem. Thermodyn. 209 (2025) 107524]","authors":"Sweety Verma , Kavitha Kumari , Suman Gahlyan , Ji Hoon Kim , Juwon Min , Sanjeev Maken","doi":"10.1016/j.jct.2025.107603","DOIUrl":"10.1016/j.jct.2025.107603","url":null,"abstract":"","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"213 ","pages":"Article 107603"},"PeriodicalIF":2.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145520251","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}
In this paper, the results of a comprehensive study of solid-phase equilibria in the FeS-In2S3-S system and thermodynamic properties of intermediate phases using DTA, XRD, and EMF methods are presented. Based on the experimental results and literature data, the character of solid-phase equilibria in the Fe-In-S system in the FeS-In2S3-S composition range is established.
From the EMF measurements of the concentration cells of the type (−) FeS(solid) | glycerol + KCl + FeCl2 | (Fe in alloy) (+) in the 300–390 K temperature interval, the relative partial thermodynamic functions of FeS and Fe in alloys were determined. By integrating the Gibbs-Duhem equation from the obtained partial molar quantities of iron, using the thermodynamic data for In2S3, the standard Gibbs free energy of formation and the enthalpy of formation, as well as the standard entropy of the FeIn2S4 compound and solid solutions (FeS)1-x(In2S3)x (x = 0.6; 0.8; 0.9) were calculated.
{"title":"Solid-phase equilibria in the FeS-In2S3-S system, thermodynamic properties of the FеIn2S4 compound and (FeS)1-x(In2S3)x solid solutions","authors":"F.M. Mammadov , D.M. Babanly , S.Z. Imamaliyeva , G.S. Zeynalova , E.I. Ahmadov , M.B. Babanly","doi":"10.1016/j.jct.2025.107585","DOIUrl":"10.1016/j.jct.2025.107585","url":null,"abstract":"<div><div>In this paper, the results of a comprehensive study of solid-phase equilibria in the FeS-In<sub>2</sub>S<sub>3</sub>-S system and thermodynamic properties of intermediate phases using DTA, XRD, and EMF methods are presented. Based on the experimental results and literature data, the character of solid-phase equilibria in the Fe-In-S system in the FeS-In<sub>2</sub>S<sub>3</sub>-S composition range is established.</div><div>From the EMF measurements of the concentration cells of the type (−) FeS(solid) | glycerol + KCl + FeCl<sub>2</sub> | (Fe in alloy) (+) in the 300–390 K temperature interval, the relative partial thermodynamic functions of FeS and Fe in alloys were determined. By integrating the Gibbs-Duhem equation from the obtained partial molar quantities of iron, using the thermodynamic data for In<sub>2</sub>S<sub>3</sub>, the standard Gibbs free energy of formation and the enthalpy of formation, as well as the standard entropy of the FeIn<sub>2</sub>S<sub>4</sub> compound and solid solutions (FeS)<sub>1-x</sub>(In<sub>2</sub>S<sub>3</sub>)<sub>x</sub> (x = 0.6; 0.8; 0.9) were calculated.</div></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"213 ","pages":"Article 107585"},"PeriodicalIF":2.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145324039","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}
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