Article
Chemistry, Physical
Tsuyoshi Yamaguchi, Song-Ho Chong, Norio Yoshida
Summary: A theoretical method for calculating the thermodynamic properties and phase equilibria of liquid-liquid mixtures using integral equation theory is proposed. The method evaluates the solvation chemical potentials and determines the density variation with composition to satisfy the Gibbs-Duhem relation. It can calculate the densities of mixtures at any composition and treat phase equilibrium without thermodynamic inconsistency. However, quantitative agreement with experiments is not satisfactory and further improvements are needed for the theory and molecular models.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Thermodynamics
P. Yadhi Cruz, A. Miguel Esteso, M. Carmen Romero
Summary: This study provides new and important information on the apparent molar volumes and compressibilities of amino alcohols, with a focus on 3-amino-1-propanol, 2-amino-1-propanol, 3-amino-1,2-propanediol, and 1,3-diamino-2-propanol in water. The hydration numbers were calculated based on acoustic properties, and the impact of polar groups and the introduction of a second hydrophilic center on the properties studied was analyzed by comparing different amino alcohols.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2021)
Article
Energy & Fuels
Leila Keshavarz, Mohammad Reza Ghaani, Niall J. English
Summary: This study experimentally investigated the thermodynamic effects of several amines on methane hydrate formation, demonstrating their effectiveness in controlling the hydrate formation. The different amines showed varying levels of inhibition on the hydrate formation, with an overall increase in inhibition effect with concentration. The study also compared the inhibition impact of these amines with conventional thermodynamics, indicating their potential as efficient hydrate inhibitors.
Article
Chemistry, Multidisciplinary
William E. Acree, James S. Chickos
Summary: The Journal of Physical and Chemical Reference Data has published articles containing experimental thermodynamic data and group contribution methods for predicting thermodynamic quantities of organic compounds. These papers have included large compilations of both experimental and calculated standard molar enthalpies of formation, isobaric molar heat capacities, molar enthalpies of fusion, molar enthalpies of sublimation, and molar enthalpies of vaporization in both condensed-phase and gas-phase states.
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA
(2021)
Article
Thermodynamics
P. M. Aiswarya, S. Narang, Rimpi Dawar, P. D. Babu, R. Mishra
Summary: The study investigates the calorimetric and thermodynamic properties of ternary zinc molybdates, ZnMoO4 (s) and Zn3Mo2O9 (s). A high temperature calorimeter is used to measure their enthalpy increment and enthalpy of dissolution. The variation of molar heat capacities with temperature is determined, and the standard molar enthalpies of formation for ZnMoO4 (s) and Zn3Mo2O9 (s) are calculated. These results are then used to generate the thermodynamic functions of these compounds, along with available literature data.
THERMOCHIMICA ACTA
(2023)
Editorial Material
Chemistry, Physical
William E. Acree, Brittani Churchill
Summary: There is a polemic regarding the volumetric properties reported by Satheesh and coworkers, as the authors' calculated partial molar volumes and partial molar excess volumes of the individual mixture components are thermodynamically inconsistent with the respective excess molar volumes of the binary mixtures containing isoamyl alcohol and benzyl alcohol.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Thermodynamics
Yuqi Wang, Linxue Yan, Hua Li, Long Li, Yafei Guo, Tianlong Deng
Summary: This study measured the dilution enthalpies of the binary systems (LiBO2 + H2O) and (LiB5O8 + H2O) at 308.15 K and 0.1 MPa using a microcalorimeter. The apparent molar enthalpies and Pitzer single electrolyte parameters at 308.15 K were determined for the first time based on the Pitzer theory of electrolytes by fitting the experimental data. The calculated apparent molar enthalpies of LiBO2 and LiB5O8 aqueous solution using the Pitzer ion-interaction model were in good agreement with the experimental values, demonstrating the high reliability of this study.
THERMOCHIMICA ACTA
(2023)
Article
Thermodynamics
Harpreet Kaur, Ramesh Chand Thakur, Harsh Kumar, Arjuna Katal
Summary: This experimental study determined the density and speed of sound of some α-amino acids with different concentrations of IL at four working temperatures. Thermo physical parameters were calculated to analyze the interactions, and interaction coefficients were determined using McMillan-Mayer theory. IR spectral studies validated the results obtained, predicting various interactions occurring in the ternary systems.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2021)
Article
Chemistry, Physical
Diwakar Pandey, Monoj Kumar Mondal
Summary: In this study, viscosity and density of aqueous solutions containing EAE, AEEA, and EAE + AEEA blend were measured at different temperatures. The experimental data were correlated to proposed models, providing insights into the properties of the mixtures. A new empirical model was developed to correlate the density of the EAE + AEEA blend, with a low average absolute deviation percentage, showing the accuracy of the model.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Thermodynamics
Vitaly Kocherbitov
Summary: The sorption calorimetry method developed by Wadso and co-workers is successful in measuring both water sorption isotherm and sorption enthalpy, though accuracy can be affected by diffusion. A new calculation method is proposed to eliminate these effects and improve the accuracy of enthalpy measurements. This new method has been successfully tested on previously published data and can be recommended for future experiments.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2021)
Article
Chemistry, Physical
Vandana S. Shende, Umesh R. Pratap, Atul Wankhade, Sangesh P. Zodape
Summary: This study measured the properties of two medicinal compounds in aqueous solutions, and investigated how the volume and compressibility of the solutes change with concentration and temperature, as well as the effect of amino acids on the solution properties.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Analytical
Qingfang Niu, Pengyue Jin, Yu Huang, Lifang Fan, Caihong Zhang, Cheng Yang, Chuan Dong, Wenting Liang, Shaomin Shuang
Summary: In this study, a novel nanocomposite 3D-rGO/Pd@Au/CM-beta-CD was developed for the electrochemical enantiorecognition of tyrosine. Under the optimized determining conditions, this approach accurately determines the relative content of l- or d-Tyr enantiomers in a racemic solution.
Article
Chemistry, Physical
Madhuri Thorve, Nand Kishore
Summary: This study investigated the intermolecular interactions of drugs streptomycin and neomycin in various solvents, such as water, glucose, sucrose, and NaCl, to understand their effects on medication. Physicochemical characterization using ITC, densimeter, and UV-visible spectrophotometer techniques revealed that the volume and adiabatic compression properties decreased with increasing drug concentration and temperature. Streptomycin exhibited higher standard molar quantities of volume and adiabatic compression than neomycin in aqueous and mixed aqueous solutions. The transfer properties of streptomycin from water to mixed aqueous solutions indicated dominant ion-ion, ion-hydrophilic, or hydrophilic-hydrophilic group interactions. A greater absorption maxima and absorbance values were observed in aqueous streptomycin compared to neomycin, suggesting the significance of the pi conjugated system. The physicochemical properties of streptomycin in the presence of aqueous co-solutes were higher than those of neomycin.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Organic
Kiran Bajaj, Karishma Pidiyara, Shahid Khan, Prabhat N. Jha, Rajeev Sakhuja, Dalip Kumar
Summary: This study focused on the synthesis and characterization of fluorescent labeled glutamine and asparagine derivatives with high fluorescence quantum yields and excellent photostabilities using traceless Staudinger ligation. The successful permeation of these fluorescent amino acids into cellular components demonstrated their potential as fluorescent probes for chemical biology.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2021)
Article
Thermodynamics
Kanika Bhakri, Nabaparna Chakraborty, K. C. Juglan, Harsh Kumar, Ravinder Sharma
Summary: The study examines the interlinkage between ethylene glycol (EG), diethylene glycol (DEG) and triethylene glycol (TEG) in aqueous gluconolactone mixtures using volumetric and acoustic approaches. The densities and sound velocity of ternary mixes of (water + gluconolactone + EG/DEG/TEG) were measured at different gluconolactone concentrations and temperatures. Various volumetric and acoustic properties, as well as pair-triplet interaction coefficients, were calculated to understand the mixture interactions and the structure-making/structure-breaking tendency of glycols in aqueous gluconolactone solutions.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2023)
Article
Thermodynamics
J. N. Zappey, E. E. Moore, O. Benes, J. -c. Griveau, R. J. M. Konings
Summary: In this study, the heat properties of technetium metal were measured and analyzed using various thermal measurement methods, including its superconductivity, zero-degree Debye temperature, electronic heat capacity coefficient, and the standard entropy of the superconducting state.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Pengshuai Zhang, Jixiu Deng, Xiaoyu Jiang, Liang Xu, Yu Huang, Han Sun, Mi Gao, Xianghan Wang, Yulong Gao, Kangning Fan, Lu Zhang, Shuoye Yang
Summary: In this study, the solubility of daminozide in twelve neat solvents was determined using the gravimetrical method. Various models were employed to analyze the experimental solubility, and the miscibility of daminozide in the selected solvents was discussed based on Hansen solubility parameters. The results showed that the dissolution mechanism of daminozide in all solvents was entropy-driven.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Jinju Ma, Hao Wu, Dongxu Yi, Wei Liu, Xinding Yao, Tao Li, Baozeng Ren
Summary: In this study, the solubility and compatibility of Agomelatine in different solvents were investigated through experimental and simulation methods. The results showed that Agomelatine forms more stable hydrogen bonds with alcohol solvents compared to other ester solvents. Additionally, the study analyzed the acidity and basicity characteristics of Agomelatine as well as the reasons for differences in solubility.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Angelica V. Sharapova, Marina V. Ol'khovich, Svetlana V. Blokhina
Summary: This study determined the key physico-chemical properties of cardiovascular carvedilol (CVD) in terms of solubility and distribution coefficients in modeling solvents and biphasic systems. The results showed that the solubility of CVD varied significantly depending on the solvent and pH conditions, and the dissolution process deviated from ideality in saturated solutions.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Wenxi Song, Na Wang, Mingzhe Tan, Meng Wang, Xin Huang, Ting Wang, Hongxun Hao
Summary: The solubility and thermodynamic behavior of climbazole in different solvents were investigated in this study. The results showed that solubility is influenced by temperature and solvent properties. Furthermore, the solvent effect was evaluated and the molecular mechanism behind the solubility behavior was revealed using solvation energy relationship models and molecular simulation methods.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Yuqi Su, Weijie Jia, Junshuai Chen, Songtao Cao, Maogang He, Ying Zhang
Summary: This paper presents a novel measurement method based on the finite volume method (FVM) for measuring the concentration-dependent mutual diffusion coefficient D(C) in binary solution. The measurement principle was derived by integrating Fick's second law and establishing discretization equation. The method was validated through experiments and a semi-empirical correlation was built to study the temperature and concentration influences on the diffusion coefficient D.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Bo Tang, Xiaoyu Yao, Xueqiang Dong, Bowen Sheng, Yanxing Zhao, Jun Shen, Maoqiong Gong
Summary: In this study, metal-bellows variable volumetry was used to measure the saturated vapor pressures and critical parameters of R1234ze(Z) and R1336mzz(Z). New vapor pressure correlations were formulated based on the obtained data. The low uncertainties of the measured values indicate the reliability and reproducibility of the data. The results provide important thermophysical data for the use and optimization of R1234ze(Z) and R1336mzz(Z) in HTHP systems.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Vivek Pathania, Ankita Garg, Navneet Kaur, Neha
Summary: The interaction between Isoniazid and beta-cyclodextrin in solutions was investigated to understand the molecular interactions between different components. The results showed that the interaction between Isoniazid and beta-cyclodextrin affected the volume and compressibility of the solutions, and the hydration behavior of Isoniazid in the solutions was influenced by the cosolvent.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Mauricio Vega-Teijido, Marc E. Segovia, Martina Kieninger, Oscar N. Ventura
Summary: A composite chemical model, SVECV-f12, has been developed to accurately reproduce barrier heights of hydrocarbon species. The model successfully corrects systematic errors between experimental and theoretical values and is used for predicting formation enthalpies and hydrogenation/isomerization enthalpies.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Kemal Ozcan, Aylin Boztepe, Erdog an Tarcan, Cagatay Tasdemirci
Summary: In this study, the enthalpy of combustion of methane, the main component of natural gas, was measured using a reference gas calorimeter. The experimental results were compared with the values specified in ISO 6976:2016. The average enthalpy of combustion was determined as -55518.2 kJ kg-1 with an error of 0.2%.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Kouki Mekaru, Takuto Miyagi, Ayaka Mishima, Isami Uehara, Ryo Ohmura, Keita Yasuda
Summary: This study investigated the four-phase equilibrium conditions of carbon dioxide + cyclopentane double clathrate hydrate forming systems coexisting with sodium chloride aqueous solution or pure water. The results showed that the double clathrate hydrate is more thermodynamically stable than simple clathrate hydrates under a given sodium chloride concentration.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Yameng Wan, Xiaoqiang Gao, Ruiai Wang, Fanfan Li, Yanxun Li, Haixia He
Summary: This study evaluated the solubility of Iminostilbene (IMB) in twelve organic solvents and found that the solubility increased with temperature and showed a specific order in different solvents. The analysis of molecular interactions and solubility parameters provided insights into the dissolution behavior. The UNIQUAC model was used to fit the solubility data, and the thermodynamic properties of the mixing and dissolution processes were thoroughly evaluated.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Yinan Liu, Mingcheng Li, Chunying Zhu, Xiqun Gao, Youguang Ma
Summary: This study successfully prepared amine-based functionalized deep eutectic solvents and investigated the effects of solvent composition, water content, and temperature on the properties of the solvent through density and viscosity measurements. The results contribute to a better understanding of hydration and intermolecular interactions in deep eutectic solvents.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Correction
Thermodynamics
Deepak Parmar, Kavitha Kumari, Naveen Kumar, Manju Rani, Mustapha Sahal, Sanjeev Maken
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)
Article
Thermodynamics
Ruslan N. Nagrimanov, Aliya R. Ibragimova, Boris N. Solomonov
Summary: In this study, the heats of solution of hydrocarbons and alcohols with 2-methyltetrahydrofuran are systematically analyzed. Structure-property relationships are developed to calculate the enthalpy of solvation of aliphatic alcohols in 2-methyltetrahydrofuran. Specific interactions in the alcohol-2-methyltetrahydrofuran systems are determined to better understand intermolecular interactions in 2-methyltetrahydrofuran solutions. This research provides valuable insights into the properties and energies of these interactions, facilitating the transition to more environmentally friendly solvents.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2024)