Article
Materials Science, Multidisciplinary
Zhengwei Yang, Chiwei Xu, Maoting Xia, Xikun Zhang, Huihui Yan, Haoxiang Yu, Tianjiao Sun, Liyuan Zhang, Fang Hu, Jie Shu
Summary: This paper conducts a quantitative analysis of thermodynamic calculations for aqueous metal-sulfur batteries (AMSBs) and presents qualitative references through Eh-pH diagrams to confirm technical barriers and select promising battery systems. The study also systematically analyzes energy storage mechanisms, density, electrode potential, capacity, material stability, and security risks, while proposing promising metal-sulfur systems based on joint analysis of thermodynamic calculations and practical conditions.
Article
Chemistry, Physical
Wanxin Li, Jiayi Yuan, Xinling Wang, Weizhong Shi, Hongkun Zhao, Rong Xing, Abolghasem Jouyban, William E. Acree
Summary: The study investigated the equilibrium solubility, solvation performance, and dissolution thermodynamics of etonogestrel in various binary aqueous blends with different cosolvents. Results showed that the solubility of etonogestrel was influenced by solvent-solvent and solute-solvent interactions, leading to different solubility parameters in each solution.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Thermodynamics
Tao Zhang, Lan Yang, Dan Li, Lingzong Meng, Yafei Guo, Tianlong Deng
Summary: The pH values, solubilities, and water activities in the LiB(OH)(4)-NaB(OH)(4)-H2O system at 323.15 K were investigated. The distributions of boron species in aqueous borate solutions were calculated and discussed. Solubility diagrams in the ternary system were drawn at 323.15 K, showing good agreement between calculated solubilities and experimental data.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2021)
Article
Chemistry, Physical
Dorota Warminska, Bartosz Nowosielski, Adrian Szewczyk, Jakub Ruszkowski, Magdalena Prokopowicz
Summary: In this study, natural deep eutectic solvents (NADESs) containing choline chloride and various hydrogen bond donors were synthesized to enhance the solubility of acetaminophen. The results showed that NADESs based on 1,2-propanediol or malic add had the greatest impact on acetaminophen solubility, with solubility increasing with temperature and NADES concentration. The Apelblat model was found to be more consistent with experimental data, and the thermodynamic properties revealed the predominant interactions in acetaminophen solutions.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Engineering, Chemical
Li Sun, Jierong Liang
Summary: A new model combining different equations is presented to predict activity coefficients and liquid densities of aqueous solutions. The predictions show good agreement with experimental values, especially in systems without gas.
CHINESE JOURNAL OF CHEMICAL ENGINEERING
(2021)
Article
Chemistry, Physical
Zhenghui Li, Renjie Xu
Summary: The equilibrium solubility of florasulam in different solvent mixtures was determined experimentally. It was found that high temperature and low water content promoted the dissolution of florasulam. The solubility was correlated with mathematical models and the preferential dissolution of florasulam between water and alcohols was analyzed.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Thermodynamics
M. Angeles Pena, Ana B. Sanchez, Begona Escalera, Abolghasem Jouyban, Fleming Martinez
Summary: The solubility of allopurinol was measured in different solvents and temperatures, and the solubility data was correlated using a modified Jouyban-Acree model. The study found that the solubility of allopurinol had two peaks at different solvent ratios, and the thermodynamic functions (Gibbs energy, enthalpy, and entropy) were related to the solubility. Furthermore, an analysis of the solubility data confirmed the presence of two different mechanisms in the solubility enhancement.
INTERNATIONAL JOURNAL OF THERMOPHYSICS
(2022)
Article
Geochemistry & Geophysics
Nikolay D. Trofimov, Boris R. Tagirov, Nikolay N. Akinfiev, Vladimir L. Reukov, Maximilian S. Nickolsky, Irina Yu. Nikolaeva, Maria E. Tarnopolskaya, Andrey A. Afanasyev
Summary: The important Cu reserves in porphyry deposits were formed by hydrothermal fluids containing Cl- and S-, which transported and deposited metals within the magmatic-hydrothermal ore systems. The solubility of chalcocite Cu2S in these fluids was determined at different temperatures and pressures, and the results showed that Cu-Cl complexes dominate over mixed CuHS-Cl complexes. Thermodynamic properties of CuHS(aq), Cu(HS)(2)(-), CuCl(aq), and CuCl2- were predicted using the HKF (Helgeson-Kirkham-Flowers) model equation of state. The AD (Akinfiev and Diamond) equation of state was also derived for CuCl(aq) in low-density fluids. The obtained data provide insights into the behavior of copper in ore-forming fluids.
Article
Thermodynamics
Zhou Guoquan
Summary: The objective of this work is to study the dissolution behavior and thermodynamic properties of pentoxyverine citrate in aqueous solutions of alcohols. The solubility data showed that the largest solubility was in water, followed by ethanol, n-propanol, isobutanol, isopropanol, and 1-butanol. The solubility in mixtures of ethanol and water, n-propanol and water, and isopropanol and water initially increased and then decreased with the increasing mass fraction of alcohols. The analysis of solubility approach and thermodynamic parameters indicated that the dissolution process was endothermic and entropic-favouring, with enthalpy being the main contributing force to the Gibbs free energy.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2023)
Article
Thermodynamics
Hao Sun, Cunbin Du
Summary: In this study, the dissolution process of 5-azacytidine in various mixed solvents was investigated using different models. The solubility of 5-azacytidine was found to be highest in water, followed by isopropanol, ethanol, methanol, and n-propanol. The increasing presence of water molecules in the mixed solvent increased the polarity of the system, making it easier for the solute molecules to dissolve. The preferential solvation results suggested that 5-azacytidine acts as a Lewis acid in water-rich mixtures, whereas it acts as a Lewis base in front of alcohols.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2023)
Article
Chemistry, Physical
Parisa Jafari, Mohammad Barzegar-Jalali, Abolghasem Jouyban
Summary: The temperature and type of hydrogen bond donor have significant effects on the solubility of mesalazine in cosolvency systems. Increasing the mass fractions of DESs and temperature can enhance the solubility of mesalazine in the investigated systems. Various cosolvency models and activity coefficient models can accurately predict the solubility data.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Thermodynamics
Chunmei Ren, Hongkun Zhao, Ali Farajtabar, Peizhi Zhu
Summary: This study employed the Hirshfeld surface, molecular surface electrostatic potential, and molecular surface average local ionization energy to analyze the electrostatic characteristics of doxofylline at a microscopic level. The results showed that doxofylline behaves as a hydrogen-bonding donor and exhibits predominance of H...H and O...H contacts. The solubility data of doxofylline in various solvent blends were determined and correlated using mathematical models. Investigation on preferential solvation and solubility behavior was also conducted.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2022)
Review
Chemistry, Inorganic & Nuclear
Norbert Jordan, Tres Thoenen, Sebastian Starke, Kastriot Spahiu, Vinzenz Brendler
Summary: This review critically assesses the thermodynamic data of the Eu3+ aqua ion and the complexation constants and solubility products of Eu(III) with the inorganic ligands SO42, Cl , and PO43 in aqueous solution. The review relies on original experimental data published in peer-reviewed papers from around 1900 to June 2021. The recommended thermodynamic data are derived using the Specific ion Interaction Theory and contribute to the establishment of a comprehensive and reliable thermodynamic reference database for the modeling of europium. The robustness of chemical analogies and linear free energy relationships within the lanthanide group is also improved.
COORDINATION CHEMISTRY REVIEWS
(2022)
Article
Thermodynamics
Kawtar Chakib, Mohamed El Guendouzi, Sidi Mohammed Aboufaris El Alaoui
Summary: This study investigated the vapor-liquid-solid equilibria and thermodynamics data of aluminum chloride in aqueous solutions at different temperatures. Water activity measurements of AlCl3(aq) were conducted using the hygrometric method from dilution to saturation at temperatures ranging from 298.15 to 353.15 K. New experimental results were used to develop Pitzer, extended ion interaction (EII), and Clegg-Pitzer-Brimblecombe (CPB) models for the binary system. The interaction parameters were evaluated and used to calculate solute activity and osmotic coefficients. The solubility equilibrium of anhydrous AlCl3 in aqueous solutions was determined experimentally, and the solubility products were calculated using obtained activity coefficients at various temperatures.
FLUID PHASE EQUILIBRIA
(2023)
Article
Chemistry, Physical
Kazem Lakzian, Hossein Jalaei Salmani
Summary: Amino acids are important biological components that form zwitterions in water, with practical applications in aqueous solutions. Understanding the thermodynamic behavior of amino acid solutions is crucial for modeling and optimizing processes. This study investigates the contributions of different interactions in amino acid solutions and proposes a thermodynamic model that considers these interactions for accurate predictions.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
