Article
Thermodynamics
Javid Safarov, Aytakin Guluzade
Summary: In this study, we measured the density of 1-butyl-3-methylimidazolium trifluoromethanesulfonate and methanol binary mixtures at different temperatures and mass percentages. The obtained values were used to calculate the excess molar volumes and apparent molar volumes of the mixtures. By calculating the excess molar volumes, we gained insight into the solute-solvent interactions.
INTERNATIONAL JOURNAL OF THERMOPHYSICS
(2022)
Article
Engineering, Mechanical
Divya P. Soman, P. Kalaichelvi, T. K. Radhakrishnan
Summary: This study investigates the effects of concentration and temperature on the density of the ionic liquid 1-butyl-3-methylimidazolium bromide in water, and finds that the density of the solution decreases with an increase in temperature and increases with an increase in concentration at a constant temperature.
JOURNAL OF THE BRAZILIAN SOCIETY OF MECHANICAL SCIENCES AND ENGINEERING
(2022)
Article
Thermodynamics
D. A. Kalinyuk, A. I. Druzhinina, L. A. Tiflova, O. V. Dorofeeva, Y. V. Golubev, D. Yu Iliyn, K. D. Semavin, N. S. Chilingarov
Summary: A comprehensive thermodynamic study was conducted on two ionic liquids, EmimCl and BmimCl, using experimental and calculation methods. Various thermodynamic functions, such as standard entropy, heat content, and Gibbs energy, were calculated for both crystalline and liquid phases of EmimCl and BmimCl. Melting parameters and standard enthalpies of dissolution were measured, and standard enthalpies, entropies, and Gibbs energies of formation were calculated. The obtained thermodynamic characteristics were analyzed and compared with literature data.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2023)
Article
Chemistry, Physical
A. M. Dunaev, V. B. Motalov, L. S. Kudin, Yu. A. Zhabanov, V. V. Aleksandriiskii, Dmitrii Govorov
Summary: The thermodynamic properties of evaporation of 1-butyl-3-methylimidazolium tetrafluoroborate (BMImBF(4)) ionic liquid were investigated using Knudsen effusion mass spectrometry. The results showed that at non-equilibrium Langmuir conditions, the IL evaporates primarily in the form of neutral ion pairs (NIPs), while under equilibrium conditions, decomposition products dominate the vapor. The main decomposition products were found to be substituted imidazole-2-ylidene and hydrofluoric acid. The vaporization enthalpy and formation enthalpy of NIPs were determined, and it was demonstrated that the system is characterized by partial equilibrium.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Yoshihiro Koyama, Seiya Shimono, Hiroaki Kishimura, Takahiro Takekiyo, Yukihiro Yoshimura, Hiroshi Abe, Kiyoto Matsuishi
Summary: The high-pressure crystal polymorph of a fluorinated ionic liquid was determined through X-ray diffraction and Raman spectroscopy, revealing irreversible changes in crystal structure upon compression and decompression. Conformational variance/invariance of the ions in the Raman spectra corresponded to the high-pressure crystal polymorph, indicating a switch in conformational variance at a specific pressure point leading to a change in crystal system. The high-pressure crystal polymorph was shown to be entirely different from the low-temperature crystal polymorph.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Thermodynamics
Harsh Kumar, Ravinder Sharma
Summary: The densities, speed of sound, and FTIR spectral studies of a ternary mixture including an ionic liquid, water, and amino acids were measured and analyzed to determine the dominating solute-solvent interactions in the system. The experimental data revealed the importance of solute-solvent interactions in volumetric calculations. Pairwise interactions were found to dominate based on partial molar volume and isentropic compression data.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2021)
Article
Chemistry, Physical
Kgomotso Masilo, Shailendra Kumar Singh, Indra Bahadur
Summary: This study evaluated the intermolecular interactions between ionic liquids and acetic acid, propionic acid in binary mixtures, discussing the variations of thermodynamic properties with mole fraction and temperature, as well as the impact of IL anion and alkyl length on properties. The experimental results were used to compute thermodynamic properties and were confirmed through FTIR spectra of pure components and binary mixtures at equimolar compositions.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Chemistry, Physical
V. A. Elterman, P. Yu. Shevelin, L. A. Yolshina, A. V. Borozdin
Summary: The density, viscosity, and specific conductivity of AlCl3-[EMIm]Cl and AlCl3-[BMIm]Cl ILs were measured, and the molar concentrations of ions were calculated. The study confirmed the additivity of densities and molar volumes and identified the main factors affecting specific conductivity in acidic ILs.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Anuja Jain, Sangesh P. Zodape
Summary: Volumetric and compressibility approaches were used to analyze the intermolecular interactions of 1-Butyl-2,3-dimethyl imidazolium chloride in aqueous and glycine aqueous solutions. The study provides insights into solute-solute and solute-solvent interactions.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
S. Maryam Ghorbani, Mohammad Reza Housaindokht, Mohammad Reza Bozorgmehr
Summary: The study showed that ionic liquids, specifically [BMIM][Br] and [BMIM][MeSO4], have different effects on the structure and function of Chloroperoxidase (CPO) depending on their concentrations. Low concentrations maintain enzyme activity while high concentrations alter enzyme structure and reduce flexibility of residues. The influence of [BMIM][MeSO4] on CPO structure is noted to be greater due to the unique structure of its corresponding anion group. Additionally, the number of cavities in the enzyme structure explains the activation and deactivation of the enzyme at different ionic liquid concentrations.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Energy & Fuels
Sami-ullah Rather, Hisham S. Bamufleh, Hesham Alhumade, Usman Saeed, Aqeel Ahmad Taimoor, Aliyu Adebayo Sulaimon, Walid M. Alalayah, Azmi Mohd Shariff
Summary: The high levels of anthropogenic CO2 in the atmosphere causing global warming and erratic weather conditions need urgent attention. An ionic liquid, [C(4)mim][CH3SO3], was chosen for CO2 capture due to its unique characteristics. The COSMO-RS model was used to study the interaction between the IL and CO2. The study provides a detailed overview of the theoretical and experimental aspects of IL's CO2 capture.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2023)
Article
Chemistry, Physical
V. A. Elterman, P. Yu Shevelin, L. A. Yolshina, E. G. Vovkotrub, A. Borozdin
Summary: The transport numbers of [BMIm](+) cation in the ionic liquid are independent of the mole fraction of aluminium chloride, with internal and external transport numbers being 0.70 +/- 0.01 and 1.02 +/- 0.04, respectively. The mobility of AlCl4- and Cl- in the ionic liquid was found to be similar, and the cation size did not affect the transport numbers in the chloroaluminate ionic liquids.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Shahram Homayoon-far, Masumeh Mokhtarpour, Hemayat Shekaari, Mohammed Taghi Zafarani-Moattar
Summary: The addition of ionic liquids to nanofluids can affect their dispersion stability, volumetric characterizations, and viscosity. The study found that nanofluids with [C(4)mim][Br] had higher stability compared to those with [C(4)mim][Cl]. Density, speed of sound, and viscosity measurements were conducted to understand the molecular interactions between components of the nanofluids.
JOURNAL OF THE IRANIAN CHEMICAL SOCIETY
(2021)
Article
Thermodynamics
Harsh Kumar, Ravinder Sharma, Vaneet Kumar, Manawwer Alam
Summary: The density and speed of sound of an aqueous solution of glycine and L-valine containing 1-dodecyl-3-methylimidazolium bromide were studied, and the apparent molar volumes and partial molar volume were calculated. The apparent molar volumes for both amino acids showed positive values that increased with temperature and concentration of the bromide compound.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2021)
Article
Biochemistry & Molecular Biology
Artyom Belesov, Natalya Shkaeva, Mark S. Popov, Tatyana E. Skrebets, Anna Faleva, Nikolay Ul'yanovskii, Dmitry S. Kosyakov
Summary: This study comprehensively characterized the degradation products of lignocellulosic biomass solvents using various analytical techniques. It identified a range of volatile and non-volatile products and found that the accumulation of these products affects the physicochemical properties and thermal stability of the solvents, leading to a decrease in decomposition temperature, changes in thermogravimetric curve shape, and the formation of carbon residue during pyrolysis.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
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)