Article
Metallurgy & Metallurgical Engineering
D. Jendrzejczyk-Handzlik, P. Handzlik
Summary: This study investigated the Cu-In-O system using electrochemical cells with solid zirconia electrolyte, determining the Gibbs free energy of formation for Cu2In2O5 phase and the oxides In2O3 and CuO. The results were used to calculate the Gibbs free energy change for the formation reaction of the ternary compound, as well as the standard enthalpy and entropy of formation for Cu(2)In(2)O(5) phase. Oxygen potential diagrams for the Cu-In-O system were also provided.
JOURNAL OF MINING AND METALLURGY SECTION B-METALLURGY
(2022)
Article
Multidisciplinary Sciences
Chengyu Han, Juan Li, Jianglong Shen
Summary: With the rapid development of industry, heavy metal pollution has seriously damaged the health of soil and poses a threat to human health through the food chain. However, existing research mainly focuses on selecting heavy metal passivation materials without considering the intrinsic mechanisms of different compound functional groups in soil passivation.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Multidisciplinary
Kang Liu, Mengmeng Wang, Jiadong Yu, Quanyin Tan
Summary: In this study, a low-temperature, oxygen-free roasting process was proposed to convert multicomponent lead compounds in spent lead-acid batteries to lead sulfate. The optimal conditions for producing lead sulfate were determined. Life cycle assessment results showed that recycling spent lead-acid batteries can significantly reduce carbon emissions and smog. This research provides an emission-free, low-temperature, and negative-carbon strategy for cost-effective recycling of spent lead-acid batteries.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Energy & Fuels
Mykola Moroz, Fiseha Tesfaye, Pavlo Demchenko, Myroslava Prokhorenko, Nataliya Yarema, Daniel Lindberg, Oleksandr Reshetnyak, Leena Hupa
Summary: Equilibrium phase formations below 600 K in certain regions of the Fe-Ag-Ge-Te system were established using the electromotive force (EMF) method. Thermodynamic quantities of AgFeTe2, Ag2FeTe2, and Ag2FeGeTe4 were experimentally determined, confirming the reliability of the phase region division.
Article
Chemistry, Physical
Pavel A. Arkhipov, Olga Grishenkova, Anna S. Kholkina
Summary: The paper introduces an improved construction of the electrochemical cell and an optimized technique for measuring the EMF of liquid metallic alloys, increasing the reliability of experimental values. The proposed extensions allow studying multiple alloy compositions simultaneously and provide a simplified procedure for calculating integral thermodynamic functions. The results confirm the potential of these techniques for determining thermodynamic characteristics without experimental study.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Energy & Fuels
Mykola Moroz, Fiseha Tesfaye, Pavlo Demchenko, Emanuela Mastronardo, Oksana Mysina, Myroslava Prokhorenko, Serhiy Prokhorenko, Daniel Lindberg, Oleksandr Reshetnyak, Leena Hupa
Summary: This study investigated the equilibrium concentration space of the Ag-In-Te system in the region of AgInTe2-Te-In2Te3 and identified the formation of stable phases in the different phase regions. The standard thermodynamic functions of binary and ternary compounds were determined using the solid-state electromotive force (EMF) method.
Article
Nanoscience & Nanotechnology
Sang-Hoon Song, Jose Antonio Alonso
Summary: An advanced ion-exchange method was used to produce a novel cathode material with a change in battery performance due to ion substitution at octahedral sites. The compound with the crystallographic formula Fe1.53+Cr0.53+(Cr6+O4)(2)(Cr26+O7) exhibits the highest reported capacity for transition metal oxide electrodes.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Thermodynamics
Liang Zhao, Zhe Li, Wei Wang, Hua Zhou, Zhikai Cao, Xuee Wu, Liming Che
Summary: Separating ethyl acetate from methylcyclohexane is a challenge due to the azeotropic phenomenon. Vapor-liquid equilibria of the binary system were measured and it was found that ethyl acetate and methylcyclohexane form a miscible azeotropic mixture with a minimum boiling temperature. However, the azeotropy disappears in the presence of decane, suggesting the possibility of using extractive distillation with decane as an entrainer to separate ethyl acetate from methylcyclohexane.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2023)
Article
Thermodynamics
Soja . K. Vijay, Gurudas Pakhui, Ashish Jain, Suddhasattwa Ghosh
Summary: The Gibbs energy of formation of U2Mo and U2Ti intermetallic phases in U-Mo and U-Ti binary systems was determined by measuring the electromotive force in LiCl...KCl...UCl3 melt. The U-Mo and U-Ti alloys corresponding to the two-phase field U2Mo + Mo and U2Ti + Ti were prepared and characterized. Temperature dependence of ΔfG circle U2Mo and ΔfG circle U2Ti were expressed. The stability of the alloys in the melt was confirmed by cyclic voltammetry analysis.
THERMOCHIMICA ACTA
(2023)
Article
Thermodynamics
D. S. Tsvetkov, M. O. Mazurin, V. V. Sereda, I. L. Ivanov, D. A. Malyshkin, A. Yu Zuev
Summary: By critically evaluating and comparing the results of thermochemical study on the formation thermodynamics of CsPbCl3, the discrepancy in the reported standard formation enthalpy values was identified and corrected using newly obtained solution calorimetric data, resulting in a consistent set of thermodynamic functions for CsPbCl3.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2022)
Article
Chemistry, Multidisciplinary
Valentin Radtke, Niklas Gebel, Denis Priester, Andreas Ermantraut, Monika Baeuerle, Daniel Himmel, Regina Stroh, Thorsten Koslowski, Ivo Leito, Ingo Krossing
Summary: The study successfully measured the Gibbs energy of transfer of silver ions in different solvents using an ideal ionic liquid salt bridge, establishing a consistent data set and laying the foundation for the experimental thermodynamic framework of ion solvation chemistry. By defining solvent-independent indicators, comparison of electronating potential of redox systems was achieved, unifying the redox potential scales of all conventional solvents.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Geochemistry & Geophysics
K. Jayanthi, Grace Neilsen, Peter F. Rosen, Clark Andersen, Matthew S. Dickson, Samuel F. Evans, M. Parans Paranthaman, Brian F. Woodfield, Alexandra Navrotsky
Summary: Lithium aluminum chloride layered double hydroxide (LDH) sorbents have been found to selectively recover lithium from geothermal brines, promoting domestic production of lithium for rechargeable batteries. By measuring heat capacity and calculating thermodynamic functions, it was found that a higher water content results in a less negative Gibbs energy for both doped and undoped samples. The anomaly in heat capacity in one of the samples suggests that interactions between species in the interlayer play a crucial role in stabilizing the LDH structure.
AMERICAN MINERALOGIST
(2022)
Correction
Materials Science, Multidisciplinary
Parikshit Bajpai, Markus H. A. Piro
Summary: The CALPHAD method is widely used for material design and development, with multiple software packages available for computing thermodynamic equilibrium. While the PGE approach was initially advanced for its numerical advantages, it faced convergence issues when applied to highly non-ideal solution phases and was eventually abandoned in Thermochimica.
COMPUTATIONAL MATERIALS SCIENCE
(2021)
Article
Chemistry, Physical
P. M. Aiswarya, S. Narang, Rimpi Dawar, Dipa Dutta Pathak, R. Mishra
Summary: A detailed investigation on the thermochemical stability of Zn2Mo3O8(s) in the Zn-Mo-O system was conducted using experimental methods. The study also explored the electrochemical performance of α-ZnMoO4(s) as an anode material for lithium ion batteries.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Boris N. Solomonov, Mikhail I. Yagofarov
Summary: The study examines the relationship between Gibbs energies and enthalpies of solvation and vaporization in various classes of organic non-electrolytes, and finds that most organic non-electrolytes follow a linear correlation, while long-chain aliphatics have a lower slope.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Sebastian Zlotnik, Sulata K. Sahu, Alexandra Navrotsky, Paula M. Vilarinho
CHEMISTRY-A EUROPEAN JOURNAL
(2015)
Article
Chemistry, Physical
Sulata K. Sahu, Baiyu Huang, Kristina Lilova, Brian F. Woodfield, Alexandra Navrotsky
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2015)
Article
Chemistry, Physical
Sulata Kumari Sahu, Speranta Tanasescu, Barbara Scherrer, Cornelia Marinescu, Alexandra Navrotsky
JOURNAL OF MATERIALS CHEMISTRY A
(2015)
Article
Materials Science, Multidisciplinary
Sulata K. Sahu, Sebastian Zlotnik, Alexandra Navrotsky, Paula M. Vilarinho
JOURNAL OF MATERIALS CHEMISTRY C
(2015)
Article
Materials Science, Ceramics
Sulata K. Sahu, Lynn A. Boatner, Alexandra Navrotsky
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2017)
Article
Chemistry, Multidisciplinary
Dylan J. Sures, Sulata K. Sahu, Pedro I. Molina, Alexandra Navrotsky, May Nyman
Article
Materials Science, Ceramics
Sulata K. Sahu, Alexandra Navrotsky
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2017)
Article
Chemistry, Inorganic & Nuclear
Jacob M. Schliesser, Baiyu Huang, Sulata K. Sahu, Megan Asplund, Alexandra Navrotsky, Brian F. Woodfield
JOURNAL OF SOLID STATE CHEMISTRY
(2018)
Article
Chemistry, Physical
Sulata K. Sahu, Daniel K. Unruh, Tori Z. Forbes, Alexandra Navrotsky
CHEMISTRY OF MATERIALS
(2014)
Article
Thermodynamics
Sulata Kumari Sahu, Rajesh Ganesan, T. Gnanasekaran
JOURNAL OF CHEMICAL THERMODYNAMICS
(2013)
Article
Materials Science, Ceramics
Sulata K. Sahu, Pardha S. Maram, Alexandra Navrotsky
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2013)
Article
Chemistry, Physical
Onur Kurt, Tony Le, Sulata K. Sahu, Clive A. Randall, Yuhang Ren
JOURNAL OF PHYSICAL CHEMISTRY C
(2020)
Article
Energy & Fuels
Sulata K. Sahu, Dhruba Panthi, Ibrahim Soliman, Hai Feng, Yanhai Du
Summary: In this study, a micro-tubular reversible Solid Oxide Cell (SOC) was designed and fabricated using a single dip-coating technique with multiple dips and conventional materials. The cell exhibited good electrochemical performance and reversible, dual mode operation at different temperatures.
Article
Electrochemistry
Sulata K. Sahu, Brian Chmielowiec, Antoine Allanore
ELECTROCHIMICA ACTA
(2017)
Meeting Abstract
Chemistry, Multidisciplinary
Sulata Kumari Sahu, Kristina Lilova, Baiyu Huang, Brian Woodfield, Alexandra Navrotsky
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2015)
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)