-
Measurement and modelling of liquid density (298.15 and 313.15 K) and vapour pressure osmometry (313.15 K) for binary aqueous solutions of organic salts J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-03-15 Pedro Velho, Eduardo Sousa, Eugénia A. Macedo
[Display omitted]
-
Low temperature heat capacities and magnetic properties of anhydrous and hydrated forms of manganous sulfate (MnSO4) J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-03-11 Christian G. White, Brian F. Woodfield
Manganese (II) sulfate (MnSO), also known as manganous sulfate, has gained attention due to its low temperature magnetic properties. Following a study of its magnetic structure, manganese sulfate was proposed as being the first orthorhombic compound to have a spiral magnetic structure. It was predicted to have a three-step magnetic transition at low temperatures, which neutron diffraction studies have
-
The isobaric specific heat capacity and viscosity for 3,3,3-trifluoroprop-1-ene in liquid phase at temperatures from (230 to 293) K and pressures up to 8 MPa J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-02-28 Bowen Sheng, Yanxing Zhao, Xueqiang Dong, Ercang Luo, Maoqiong Gong
In this paper, the 65 isobaric specific heat capacity () and 9 viscosity () data of 3,3,3-trifluoroprop-1-ene (R1243zf) were measured at temperatures from (230 to 293) K and pressure up to 8 MPa using a flow calorimeter and a vibrating-wire viscometer. The uncertainty of temperature, pressure, isobaric specific heat capacity and viscosity were evaluated to be less than 11 mK, 0.02 MPa, 1.0 % and 2
-
Effect of sec-butyl alcohol on CO2 hydrate equilibrium conditions J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-02-18 Jing Xia, Zhigao Sun
Thermodynamic inhibitors may be used to inhibit hydrate formation in industry. Alcohol substances, due to their hydrophilic hydroxyl groups in their molecular structure, are prone to form hydrogen bond with water molecules to inhibit hydrate formation. In this work, -butyl alcohol is chosen to study the effects on CO hydrate dissociation equilibrium conditions, where the step-heating method is utilized
-
Solubility measurement, molecular simulations, Hansen solubility parameter and thermodynamic properties of isophthalic acid in binary solvents at 283.15–323.15 K J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-02-17 Xinyue Zhai, Jiaqi Luo, Qifan Su, Yuan Zou, Yingchen Wang, Qiutong Zhang, Wenhao Yan, Qiushuo Yu
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
-
Thermodynamic investigations of the NaI-CsI, KI-CsI, and NaF-CsI pseudo-binary systems J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-02-13 N.L. Scuro, B.W.N. Fitzpatrick, E. Geiger, M. Poschmann, T. Dumaire, O Beneš, M.H.A. Piro
[Display omitted]
-
Interaction of curcumin and its derivatives with the carrier protein human serum albumin: Biophysical and thermodynamic approach J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-02-10 Tinku, Satrujeet Sahoo, Shaukat Ali Shaikh, K. Indira Priyadarsini, Sinjan Choudhary
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
-
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 J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-02-09 Yufeng Tang, Qichao Yang, Zhanping Qiao
The phase equilibrium of ternary systems RbX/CsX + CuX + HO (X = Cl, Br) at = 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 + CuCl + HO, there were three crystallization regions corresponding to RbCl, RbCuCl·2HO and CuCl·2HO, respectively.
-
Densities, dynamic viscosities, and speed of sound of glyceline + 1-alcohols (C2-C4) from 288.15 to 343.15 K at 0.1 MPa J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-02-08 Guadalupe Pérez-Durán, Gustavo A. Iglesias-Silva, José Julián Cano-Gómez, Mariana Ramos-Estrada
[Display omitted]
-
-
Solid-liquid phase equilibrium and thermodynamic properties analysis of 1,3,5-tribromobenzene in sixteen kinds of organic mono-solvents J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-02-06 Xian Sun, Xingzhu Wang, Qianyun Sun, Shuai Yu, Fumin Xue
[Display omitted]
-
Phase behavior and enthalpies of binary mixtures of R-1243zf with PAG 68, POE 85 and PEC4 oils J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-01-28 Yanjun Sun, Shibiao Wang, Haiqi Zheng, Xiaopo Wang
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 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
-
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 J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-01-22 José J. Segovia, M. Carmen Martín, Xavier Paredes, Andrés Rojo, Fredy Vélez, David Vega-Maza
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 xCO = 0.5 and 0.75 at T = (260 to 350) K for mixtures with propane. Measurements are performed by means of a spherical acoustic
-
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 J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-01-21 Deepak Parmar, Manju Rani, Naveen Kumar, Noureddine Issaoui, Omar M. Al-Dossary, Mustapha Sahal, Seetu Rana, Leda G. Bousiakoug
In the present report, density (ρ), viscosity (η), speed of sound (u) and refractive index (nD) 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 ρ, η, u and nD were used to compute the excess molar volume, VmE, deviation in viscosity
-
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 J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-01-21 Yucong Song, Mingchuan Pang, Xiaoshu Ding, Guirong Wang, Xinqiang Zhao, Yanji Wang
-
Liquid to solid phase transition detection by using a vibrating tube densimeter along with densities up to 137 MPa of beef tallow fatty acid alkyl esters J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-01-20 Ricardo García-Morales, Francisco J. Verónico-Sánchez, José Domenzaín-González, Abel Zúñiga-Moreno, Christian Bouchot, Octavio Elizalde-Solis
-
Solubility measurements and molecular dynamics simulations of perphenazine (form I) in three binary solvent systems J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-01-16 Jingyi Huang, Yaxin Ding, Peng Shen, Zidan Cao, Yu Li, Tao Li, Baozeng Ren
This study aimed to investigate the perphenazine (form I)’s solubility in three binary solvent systems: acetone + water, n-propanol + water, and N,N-dimethylformamide (DMF) + water, within the temperature range of 278.15 K to 318.15 K. The solubility data were obtained using a dynamic method and fitted using four models: the NRTL model, modified Apelblat equation, CNIBS/R-K model, and Jouyban-Acree
-
Determination and correlation of LLE data for n-hexane, ethyl acetate and different extractants J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-01-06 Fangfang Dai, Jiangting Cao, Na Liu, Meiyuan Peng, Chen Wang
In order to separate n-hexane/ethyl acetate (EA) produced in industrial production, the liquid–liquid extraction was used to separate the azeotropic system with sulfolane, 1,2-propanediol and dimethyl sulfoxide (DMSO) as extractants. The liquid–liquid equilibrium (LLE) data of the n-hexane + EA + sulfolane/1,2-propanediol/DMSO were measured at 303.15 K, 313.15 K and 323.15 K. The extraction capacity
-
Densities and excess molar volumes of thiophene + heptane and thiophene + octane at temperatures between (313 K and 363) K and pressures up to 25 MPa using three calibration methods J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-01-07 Rubén P. Mendo-Sánchez, Alfredo Pimentel-Rodas, Angel M. Notario-López, Luis A. Galicia-Luna
-
Molecular dynamics simulation, thermodynamic parameters and solute–solvent molecular interactions of cilostazol (form A) dissolution in (ethylene glycol / ethanol + water) mixtures J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-01-07 Guanghua Xia, Zhengyang Luo, Yong Yang, Li Chen, Rongrong Li, Cunbin Du, Yang Yu
-
-
Densities, viscosities, and refractive indices of binary mixtures of tri-n-butyl phosphate with propan-2-ol and butan-2-ol at 303.15, 308.15, 313.15, 318.15, and 323.15 K J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-12-29 Iqbal Hossen, M. Mehedi Hasan Rocky, M. Riyad, M. Masum Billah, Ismail M.M. Rahman, Shamim Akhtar
Densities, viscosities, and refractive indices of binary liquid mixtures of tri-n-butyl phosphate (TBP) with propan-2-ol and butan-2-ol at different temperatures between 303.15 and 323.15 K at an interval of 5 K and across the entire range of composition were measured. The data were used to calculate derived properties, such as excess molar volumes, excess thermal expansivities, deviations in viscosities
-
Density, viscosity, and CO2 solubility in ether-functionalized phosphonium-based bis(trifluoromethanesulfonyl)amide ionic liquids J. Chem. Thermodyn. (IF 2.6) Pub Date : 2024-01-02 Yuki Suzuki, Kota Takahashi, Masaki Watanabe, Daisuke Kodama, Takashi Makino, Mitsuhiro Kanakubo, Eri Hamanishi, Tsutomu Watanabe, Masashi Sugiya
We measured the densities and viscosities of two ionic liquids, triethyl(methoxymethyl)phosphonium bis(trifluoromethanesulfonyl)amide ([P222(1O1)][TFSA]) and triethyl(2-methoxyethyl)phosphonium bis(trifluoromethanesulfonyl)amide ([P222(2O1)][TFSA]), at atmospheric pressure and 273.15–363.15 K. The high-pressure density at the pressures up to 50 MPa was also measured at 298.15–353.15 K. Meanwhile, CO2
-
A new transient hot-wire thermal conductivity apparatus and measurements of helium at temperatures from 20 K to 300 K J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-12-28 Xiufang Zhao, Xian Wang, Xueqiang Dong, Yunxiao Wang, Yanxing Zhao, Bowen Sheng, Maoqiong Gong
In this study, an apparatus based on the transient hot-wire method (THW) was designed to measure the thermal conductivity of cryogenic fluid within the temperature range of 20–300 K and the pressure range of 0–20 MPa, with a relative expanded uncertainty Ur(λ) of 0.0284 (k = 2, 95 %). The experimental data of methane, ethane, and carbon dioxide showed good consistency with the ECS model, validating
-
Dissolution behavior, thermodynamic analysis and molecular simulation of lithium bis(fluorosulfonyl)imide in organic solvent at 273.15 K to 313.15 K J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-12-25 Xin Fang, Bolun Mei, Xingchuan Yang, Yi Yu, Chunmei Cao, Li Xu, Guoji Liu
-
Measurement and calculation of densities and viscosities of PEC7 and PEC9 using molecular dynamics simulation J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-12-22 Yanjun Sun, Haiqi Zheng, Shibiao Wang, Xiaopo Wang, Bin Xiao, Jiantao Xia
To better understand the lubrication characteristics of refrigeration-compressor mechanical moving parts, the thermophysical properties of lubricants in a wide operating range of pressure should be well known, especially viscosity and density. However, the experimental data are always limited, particularly for higher pressures where experiments are difficult to implement. To obtain viscosity and density
-
A new method to combine high-pressure vapor–liquid equilibrium and thermophysical property measurements for low-volatility liquids and a gas J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-12-25 Karim S. Al-Barghouti, Hannes Schmidt, Ethan Eichberger, Mark B. Shiflett, Aaron M. Scurto
Vapor-liquid equilibria measurements involving liquids with low volatility, such as many types of lubricants, ionic liquids, and various solvents are essential for process research and development in a wide variety of fields. State–of–the–art methods to measure these phase equilibria, e.g. thermogravimetric analysis or equilibrium cells, generally cannot be combined with instruments measuring thermophysical
-
Thermodynamic properties of indoline and benzoxazine based spiropyrans studied by Knudsen effusion mass spectrometry J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-12-23 N.A. Spiridonova, M.O. Pochkin, A.M. Dunaev, V.B. Motalov, L.S. Kudin, A.D. Pugachev, E.Yu. Tyunina, B.S. Lukyanov
An approach including thermal analysis and Knudsen effusion mass spectrometry was used to investigate the thermal stability range and the thermodynamic properties of sublimation for four indoline and benzoxazine based spiropyrans: 1,3,3-trimethyl-6′- (tert-butyl) −8′-formyl-spiro [indoline-2,2′-2H-chromene] (1), 1,3,3,8′-tetramethyl-6′-formyl-spiro [indoline-2,2′-2H-chromene] (4), 1,3,3-trimethyl-
-
Corrigendum to ‘The thermodynamics of the van der Waals dimer and trimer formation in gaseous carbon dioxide and methane and their heterodimers with dinitrogen’ [J. Chem. Thermodyn. (2022) 106818 JCT-D-21-000607] J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-12-21 Arthur M. Halpern
Abstract not available
-
Comprehensive solubility study and inter-molecular interactions on fenbendazole dissolved in some aqueous aprotic and protic co-solvent solutions J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-12-16 Fulin Mao, Weizhong Shi, Hongkun Zhao, Wanxin Li, Abolghasem Jouyban, William E. Acree
-
2,3-Dichloropyridine solubility in 14 pure solvents: Determination, correlation, Hansen solubility parameter, solvent effect and thermodynamic analysis J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-12-16 Fanfan Li, Yulu Chen, Yanxun Li, Yameng Wan, Xiaoqiang Gao, Jian Xiao, Shuxiu Ma, Yi Yu
The solid–liquid equilibrium data of 2,3-dichloropyridine(23DCP) in 14 pure solvents were measured making use of the laser dynamic monitoring at 278.15/283.15/288.15 K − 313.15 K with 0.1 MPa. The findings of this study showed that the solubility increase of 23DCP in 14 pure solvents had a positive relation with temperature, and the solubility order was 1,4-dioxane > dichloromethane > n-butyl acetate > ethyl
-
Corrigendum to “Equilibrium state thermodynamic properties of rare gas dimers and trimers obtained from equations of state and statistical thermodynamics: Application to neon, argon, krypton and xenon” [J. Chem. Thermodyn. (2021) 106558/JCT-D-135] J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-12-16 Arthur M. Halpern
Abstract not available
-
Solubility measurements, correlation, and thermodynamic characterization of 4-guanidinobenzoic acid hydrochloride in pure and binary solvents from 294.55 K to 333.65 K J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-12-13 Bowen Zhang, Qiang Huang, Kang Peng, Chunlan Ban, Ziyang Zhou, Jinghui Liu, Guopeng Shen
The solubility of 4-guanidinobenzoic acid hydrochloride (4-GABCL) in pure solvents (H2O, methanol, ethanol, n-propanol, isopropanol, 1-butanol, and 1-pentanol) and two binary solvents (H2O + ethanol/isopropanol) were determined by the dynamic saturation method in the temperature range of 294.55 K–333.65 K under atmospheric pressure. From the measurement results, it could be observed that the solubility
-
Exploring the Conductivity, Solubility, and thermodynamic properties of sulfonated waste styrofoam through experimental and theoretical studies J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-12-16 Vennila Srinivasan, Sumalatha Vasam, Sankar Govindarajan
-
Speciation studies of a Bisphosphonate Drug. New thermodynamic insights of Sodium Alendronate with Ca2+ and Mg2+ in NaCl aqueous solution (0.10 ≤ I/mol kg-1 ≤ 1.02) J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-12-12 Kavosh Majlesi, Concetta De Stefano, Francesco Crea, Clemente Bretti
-
Equilibrium solubilities, model analysis, solvent effect, molecular dynamic simulation, and thermodynamic properties of itopride hydrochloride in eleven organic pure solvents at different temperatures J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-12-12 Yuan Gao, Yuanhuai Luan, Mingjie Ren, Zidan Cao, Yu Li, Tao Li, Baozeng Ren
Itopride hydrochloride is a novel prokinetic drug used to relieve gastrointestinal diseases. In this paper, the equilibrium solubility of itopride hydrochloride in selected eleven pure solvents (methanol, ethanol, 1-propanol, 2-methoxyethanol, 2-ethoxyethanol, 2-propoxyethanol, acetonitrile, N-methyl-2-pyrrolidone, N, N-dimethylformamide, N, N-dimethylacetamide, dimethyl sulfoxide) was determined by
-
Determination and molecular simulation of ternary solid–liquid phase equilibrium of succinic acid + maleic acid + water from 283.15 K to 333.15 K J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-12-11 Yihan Wang, Yifan Wu, Lehuan Wu, Jun Wang, Chunxiang Huang, Yixin Leng
This study used the isothermal saturation gravimetric method to examine the solid–liquid phase equilibrium relationships composed of succinic acid + maleic acid + water spanning from 283.15 K to 333.15 K. The experimental data were utilized for the purpose of plotting the equilibrium phase diagrams of ternary systems in the studied temperature range. There were three crystalline regions in each isothermal
-
Solid-liquid phase equilibrium and thermodynamic model of ternary system (NH4+ //SO42−, H2PO4−–H2O) from 313.15 to 343.15 K J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-12-02 Jing Yang, Zhenbei Li, Yuxin Fan, Wenli Zhao, Congcong Sun, Yuanxi Zhang, Yanfei Wang, Yuanyuan Jia
A tremendous amount of wastewater containing ammonium salts, mainly NH4H2PO4 and (NH4)2SO4, has been produced in the production of cathode material of lithium iron phosphate (LFP). However, as an important basis for salt separation, the solid–liquid phase equilibrium (SLPE) of these two salts has been investigated by few studies. In this study, SLPE of the ternary system (NH4+ //SO42−, H2PO4−–H2O)
-
Acoustic and volumetric study of binary mixtures containing Ethyl propionate with amides at various temperatures J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-11-30 J. Pandurangarao, K. Narendra, V. Vishalakshma, T.S. Krishna, G. Srinivasa Rao
The development of biofuels to replace fossil fuels has recently increased at an exponential rate. Many chemical molecules with a wide range of functional groups make up biofuels. There is a strong correlation between the interactions between these molecules and the performance of biofuels. In this paper, the authors presented the new findings related to interactions existing in ethyl propionate and
-
Interaction of anti-inflammatory drug naproxen with essential amino acids: Quantitative thermodynamic insights J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-11-23 Pooja Meena, Anu Jain
A combination of ultrasensitive isothermal titration calorimetry and uv–visible spectroscopy has been employed to unravel interaction of anti-inflammatory drug naproxen with five essential amino acids L-arginine, L-lysine, L-phenylalanine, L-valine and L-tryptophan. The nature of interaction in each case has been examined based on standard molar enthalpy of interaction ΔHmo and changes in the spectral
-
Investigation on the solvent and temperature effect of climbazole solubility J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-11-15 Wenxi Song, Na Wang, Mingzhe Tan, Meng Wang, Xin Huang, Ting Wang, Hongxun Hao
The thermodynamic behavior of objective compounds plays an important role in crystallization and purification. In this work, the solubility of climbazole in nine pure solvents at (288.15–318.15 K) and in a water–ethanol mixed solution at (278.15–313.15 K) was determined by a gravimetric method. It was found that the solubility is positively related to temperature and ethanol content. Three well-known
-
Thermodynamic consideration of dissolution and distribution behavior of carvedilol in pharmaceutical significant media J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-11-17 Angelica V. Sharapova, Marina V. Ol'khovich, Svetlana V. Blokhina
The key physico-chemical properties for pharmaceutical design as solubility and distribution coefficients of cardiovascular carvedilol (CVD) in modeling solvents and biphasic systems were determined using the classic shake flask method in the temperature range (293.15–313.15) K. The drug solubility in 1-octanol and hexane was measured at first time. The equilibrium mole fraction solubility of CVD at
-
Liquid viscosity, interfacial tension, thermal and mutual diffusivities of mixtures of n-eicosane with dissolved carbon dioxide J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-11-19 Junwei Cui, Tao Yang, Shengshan Bi, Jiangtao Wu
The thermophysical properties of systems with alkanes with dissolved carbon dioxide (CO2) are of importance in the aspects of carbon capture and storage (CCS), enhanced oil recovery (EOR), Fischer-Tropsch (FT) synthesis, et al. This work continues for our previous studies about the thermophysical properties of several binary systems with alkane and CO2. In this work, the liquid viscosity, interfacial
-
Analysis of agomelatine (Form Ⅱ) dissolution behavior in different mono-solvents: Solubility, solvation thermodynamics as well as inter-molecular interactions J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-11-17 Jinju Ma, Hao Wu, Dongxu Yi, Wei Liu, Xinding Yao, Tao Li, Baozeng Ren
Form II of Agomelatine (AG) is a stable crystal which can be applied to industrial production, and it is mainly used for the treatment of depression. In this paper, the solubility of AG in ten single solvents was determined by the laser dynamic method, and the solubility data were fitted and analyzed using the activity coefficient model and empirical equations (NRTL,λh, Apelblat and Van't Hoff). Besides
-
Thermodynamics of reactions of stepwise complex formation of silver(I) ion with pyridine in binary solvents J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-11-17 Irina A. Kuz'mina, Mariia A. Kovanova
In this study, the enthalpies of stepwise complexation reactions between silver(I) ions and pyridine in methanol–acetonitrile mixed solvents (MeOH-AN, with molar fractions of AN varying from 0 to 1) were determined by the calorimetric method at 298.15 K. The analysis of the solvation contributions of the reactants to the alterations in the thermodynamic characteristics associated with the formation
-
A novel measurement method for measuring the concentration-dependent mutual diffusion coefficients based on finite volume method J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-11-10 Yuqi Su, Weijie Jia, Junshuai Chen, Songtao Cao, Maogang He, Ying Zhang
This paper presents a novel measurement method based on the finite volume method (FVM), which can be used for measuring the concentration-dependent mutual diffusion coefficient D(C) in binary solution. The measurement principle of D was derived by integrating the Fick’s second law in the control volume and establishing discretization equation. By simulating the diffusion process of binary solution
-
Experimental investigation of saturated vapor pressure and critical parameter for R1234ze(Z) (cis-1,3,3,3-tetrafluoropropene) and R1336mzz(Z) (cis-1,1,1,4,4,4-hexafluoro-2-butene) J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-11-04 Bo Tang, Xiaoyu Yao, Xueqiang Dong, Bowen Sheng, Yanxing Zhao, Jun Shen, Maoqiong Gong
In this study, metal-bellows variable volumetry was used to measure the saturated vapor pressures and critical parameters of R1234ze(Z) and R1336mzz(Z). The critical temperature, critical pressure, and critical density values were evaluated, and new vapor pressure correlations were formulated based on the obtained data. The low uncertainties of the measured values indicate the reliability and reproducibility
-
Speed of sound measurements and derived thermodynamic properties of bio-jet fuel components at saturation: N-butylcyclohexane J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-11-04 Eugene G. Pashuk, Jiangtao Wu, Ilmutdin M. Abdulagatova
The composition of bio-jet fuels, i.e., the total content of hydrocarbons such as n-alkanes, iso-alkanes, cycloalkanes and aromatics, reached 85 % to 95 %, are mainly defining the thermophysical properties of bio-jet fuels. Short-chain cycloalkanes, such as n-butylcyclohexane, are one of the main components of bio-jet fuel. N-butylcyclohexane is included as one of the components of diesel fuel surrogate
-
The phase behavior of Isopropanol/Water/NaCl mixtures at atmospheric pressure and temperatures from 294.15 K up to the boiling point J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-11-04 Saeed Ataee, Garry Rathje, Francisco Ramos-Pallares
Branched-chain higher alcohols (BCHAs) have potential applications in the preparation of biofuels as they have properties similar to those of gasoline. Isopropanol is the simplest member of the BCHA family and is produced by either a catalytic process or fermentation of biomass. Regardless of the process, the isopropanol is produced as a component of a mixture with water content as high as 80%; therefore
-
Direct measurements of the enthalpy of vaporization for R290 + R1216 and R1234ze(E) binary mixtures by differential scanning calorimetry J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-10-31 Zian Hao, Guogeng He, Qiqi Tian, Jialiang Hua, Dehua Cai
-
Separation of 1-methoxy-2-propanol and water by organic solvent extraction based on quantum chemistry calculation and liquid-liquid equilibrium experiment J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-10-30 Jun Gao, ZhenJie Li, Chongyun Ding, Zhen Sun, Yixin Ma, Dongmei Xu, Lianzheng Zhang, Yinglong Wang
1-Methoxy-2-propanol (PM) is extensively utilized in various industries, including coatings and semiconductor applications, owing to its low toxicity and affordability. However, PM + water mixture was an azeotrope with lowest boiling point, which presents a challenge in separating azeotropic mixture for industrial production. In this study, selectivity coefficient (Scal) and extractant loss (SL) were
-
Accuracy of enthalpies of formation of hydrocarbons using the SVECV-f12 protocol and comparison to other composite methods J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-10-30 Mauricio Vega-Teijido, Marc E. Segovia, Martina Kieninger, Oscar N. Ventura
-
Molecular interaction studies of antituberculosis drug Isoniazid in aq. β-cyclodextrin solution: A volumetric, spectroscopic and molecular docking approach J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-10-27 Vivek Pathania, Ankita Garg, Navneet Kaur
Volumetric and compressibility investigations are crucial to understanding the molecular interactions prevailing between various components of solutions. At distinct temperatures and ambient pressure (P = 0.1 MPa), the effect of β-cyclodextrin on the antituberculosis drug Isoniazid (INH) was studied at concentrations ranging from 0.0304-0.2698 mol.kg−1. Some thermodynamic properties of the drug Isoniazid
-
High-pressure solubility measurement and eNRTL thermodynamics modeling of carbon dioxide in aqueous solutions of 2-((2-aminoethyl) amino) ethanol + dimethyl sulfoxide at different conditions J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-10-31 Mohammadreza Joharkesh, Ali Haghtalab
-
Equilibrium solubility and thermodynamic study of daminozide in twelve neat solvents from (283.15 to 323.15) K J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-10-31 Pengshuai Zhang, Jixiu Deng, Xiaoyu Jiang, Liang Xu, Yu Huang, Han Sun, Mi Gao, Xianghan Wang, Yulong Gao, Kangning Fan, Lu Zhang, Shuoye Yang
In the present study, solubility of daminozide was determined in twelve neat solvents (N,N-Dimethylformamide (DMF), 2-methoxyethanol, N-Methyl-2-pyrrolidone (NMP), 2-ethoxyethanol, Acetonitrile (MeCN), 2-propoxyethanol, methanol, ethanol, n-propanol, i-propanol, n-pentanol, 2-butoxyethanol) by using the gravimetrical method under the pressure of 0.1 MPa and temperature from 283.15 to 323.15 K. The
-
Solid-liquid equilibrium, molecular simulation and thermodynamic properties of sulfaguanidine in pure and binary solvents from 288.15 K to 343.15 K J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-10-25 Kang Peng, Mingyue Wang, Bowen Zhang, Qiang Huang, Jinghui Liu, Chunlan Ban
The solubility of sulfaguanidine(SG) in water, methanol, ethanol, n-propanol, isopropanol, n-butanol and binary solvent systems (water + methanol/n-propanol) was determined by the synthetic method at local pressure values in the temperature range of 288.15 K to 343.15 K. The experimental data were compiled and plotted, and it can be seen that the solubility of SG in the six pure solvents and two binary
-
Low- and high-temperature heat capacity of metallic technetium J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-10-30 J.N. Zappey, E.E. Moore, O. Beneš, J.-C. Griveau, R.J.M. Konings
The heat capacity of technetium metal has been measured from 2.1 K to 293 K using relaxation calorimetry and the enthalpy increment up to 1700 K using drop calorimetry. The low-temperature calorimetry measurements revealed a superconducting transition temperature of TC = (7.76 ± 0.08) K. The zero-degree Debye temperature(θE) and the electronic heat capacity coefficient (γe) of the normal state were
-
Measuring the enthalpy of combustion of methane gas and establishing the model function to perform comprehensive uncertainty calculations J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-10-26 Kemal Özcan, Aylin Boztepe, Erdoğan Tarcan, Çağatay Taşdemirci
Natural gas is a plentiful and adaptable energy source among other gases that is used all over the world with an increasing demand nowadays. It is therefore of utmost importance to measure the energy content of the natural gas with high precision for both users and sellers. In this study, methane gas, the main component of natural gas, was combusted using the reference gas calorimeter developed at
-
Glyburide in a series co-solvent solutions: Solubility and modeling, solvation and quantum chemistry research J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-10-20 Qiang Gao, Ali Farajtabar
-
Volumetric and viscometric properties of L-glutamic acid in aqueous L-arabinose and D-xylose solutions between the temperature range of (293.15–313.15) K at atmospheric pressure J. Chem. Thermodyn. (IF 2.6) Pub Date : 2023-10-21 Rupesh Kumar Pradhan, Lokanath Sahoo, Sulochana Singh
To investigate the molecular interaction among nonessential amino acids and carbohydrates in this article we report the density and viscosityresultsof L-glutamic acid in aqueous solutions of L-arabinose and D-xylose over an integral composition regime (2.00 wt%, 2.50 wt% and 3.01 wt%)at atmospheric pressure (101 kPa) and at temperature range of 293.15, 298.15, 303.15, 308.15 and 313.15 K. The experimental