Investigation of the Ternary System, Water/Hydrochloric Acid/Polyamide 66, for the Production of Polymeric Membranes by Phase Inversion by Jocelei Duarte, Camila Suliani Raota, Camila Baldasso, Venina dos Santos, Mara Zeni

“…The theoretical cloud point curve was calculated based on “Boom’s LCP Correlation” and compared to the curve of the experimental cloud point. The ternary Gibbs free energy of mixing and <i>χ</i>₂₃ indicated FA as the best solvent for the PA66. …”
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Prediction and verification of the influence of the rs367781716 SN P on the interaction of ТАТА -binding protein with the promoter of the human АВСА9 gene by O. V. Arkova, I. A. Drachkova, T. V. Arshinova, D. A. Rasskazov, V. V. Suslov, P. M. Ponomarenko, M. P. Ponomarenko, N. A. Kolchanov, L. K. Savinkova

“…We also determined the half-life and Gibbs free energy of the complex of TBP with the АВСА9 promoter. …”
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Effect of yttrium addition timing on inclusion evolution and grain growth behavior in spring steel 55SiCr by Shuai Ma, Yang Li, Zhouhua Jiang, Meng Sun, Yunqie Mao, Yanshuo Ma, Yucheng Wang, Tianci Li, Yunfei Niedeng, Rui Yang, Hang Liu

“…The calculation of Gibbs free energy of inclusion formation shows that the inclusions generated with the oxygen content from high to low are Y2O3→Y2O2S→YS when yttrium is added to spring steel. …”
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Thermodynamic Assessment of Different Feedstocks Gasification Using Supercritical Water and CO₂ for Hydrogen and Methane Production by Luis David García Caraballo, Julles Mitoura dos Santos Junior, Icaro Augusto Maccari Zelioli, York Castillo Santiago, Juan F. Perez Bayer, Adriano Pinto Mariano

“…The supercritical water gasification (SCWG) and carbon dioxide gasification of agro-industrial and urban waste residues—Coffee Husk, Eucalyptus Biochar, Energy Sugarcane, and Refuse-Derived Fuel (RDF)—were studied using TeS^® v.2 software, which employs a non-stoichiometric thermodynamic model to minimize Gibbs free energy and predict equilibrium compositions. …”
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Deciphering the role of flutamide, fluorouracil, and furomollugin based ionic liquids in potent anticancer agents: Quantum chemical, medicinal, molecular docking and MD simulation... by Danish Ali, Muhammad Arif Ali, Muhammad Sarfraz, Afifa Yousuf, Rasham Zulfiqar, Abdul Rauf, Hong-Liang Xu, Muhammad Arshad

“…The stability of [FT1]+[NH]– was further corroborated by significant Gibbs free energy and enthalpy values (−545.30 and −560.36 kcal/mol). …”
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Mixing-enthalpy modulation on phase transformation in the gradient chemical core/shell high-entropy shape-memory alloys by E-Wen Huang, Tu-Ngoc Lam, Zachary H. Aitken, Mao-Yuan Luo, Nien-En Chiang, Yuh Sun, Jo-Chi Tseng, Ching-Yu Chiang, Wan-Zhen Hsieh, Wen-Jay Lee, Yong-Wei Zhang, Peter K. Liaw, Che-Wei Tsai

“…The temperature-dependent Gibbs-free energy agrees with the Cu movement, which widens the thermally-induced gradient layer of the elemental redistribution. …”
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DFT and molecular docking analyses of the effects of solvent polarity and temperature on the structural, electronic, and thermodynamic properties of p-coumaric acid: Insights for a... by Umer Sherefedin, Abebe Belay, Kusse Gudishe, Alemu Kebede, Alemayehu Getahun Kumela, Tadesse Lemma Wakjira, Dereje Gelanu, Tesfaye Feyise, Jebel Haji Mahamud, Abdulkerim Abdela, Kebede Shankute Gizew

“…The thermal analysis also revealed that increasing the temperature from 100 K to 1000 K led to higher enthalpy, heat capacity, and entropy, along with a decrease in Gibbs free energy values due to enhanced molecular vibrations, contributing to the degradation and instability of p-CA. …”
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Bioenergetic Modeling of the Relationship Between Voltage and Electroactive Microbial Biomass Yield for Bioelectrochemical Carbon Dioxide Reduction to Methane by Vafa Ahmadi, Nabin Aryal

“…Through integrating theoretical Gibbs free energy calculations, the model predicts electron and proton transfers for autotrophic methanogen and anode-respiring bacteria (ARB) growth, accounting for varying applied voltages and substrate concentrations. …”
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Tautomerism of 5-Methyl Imidazolidine Thio Derivatives in the Gas Phase: A Density Functional Study by Zaki S. Safi, Fakhr M. Abu-Awwad

“…Relative tautomerisation energies, enthalpies, entropies, Gibbs free energies, and dipole moments for 5-methyl-2,4-dioxo-imidazolidine and its thio analogous have been studied in the gas phase using hybrid density functional at the B3LYP level of theory using 6-31(d) and 6-311+(2df,2p) basis sets with full geometry optimization. …”
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Effect of rhodium doping for photocatalytic activity of barium titanate by G.A. Kaptagay, B.M. Satanova, A.U. Abuova, M. Konuhova, Zh.Ye. Zakiyeva, U. Zh Tolegen, N.O. Koilyk, F.U. Abuova

“…By means of DFT oxygen evolution reaction on Rh-doped BaTiO3 (001) surface has been modeled. Gibbs free energies for each step of the reaction as well as the values of overpotential have been calculated, taking into account the solvation effect. …”
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A Thermochemical Parameters and Theoretical Study of the Chlorinated Compounds of Thiophene by Ibrahim A. M. Saraireh, Mohammednoor Altarawneh, Jibril Alhawarin, Mansour H. Almatarneh

“…Herein, we compute standard entropies, standard enthalpies of formation, standard Gibbs free energies of formation, and heat capacities. Our calculated enthalpy values agree with available limited experimental values. …”
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Creep rupture properties of bare and coated polycrystalline nickel-based superalloy Rene®80 by Barjesteh M.M., Abbasi S.M., Zangeneh-Madar K., Shirvani K.

“…In this paper, the thermodynamic data of V-H-O systems were summarized, and the Gibbs free energies of the main compounds were calculated. …”
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Thermodynamic evaluation of intermolecular interaction selectivity in separation of binary mixtures based on the activity coefficients at infinite dilution by Bakusele Kabane, Balungile Gasa, Nirmala Deenadayalu

“…Excess thermodynamic properties at infinite dilution including excess enthalpies, Gibbs free energies and entropies were computed to further elucidate the interactions between the systems. …”
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Molecular docking of phytosterols in Stenochlaena palustris as anti-breast cancer by Dona Marisa, Lisda Hayatie, Siti Juliati, Eko Suhartono, Noer Komari

“…Molecular docking parameters included Gibb's free energy and interactions between ligand and protein. …”
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The effect of electroslag remelting on the cleanliness of CrNiMoWMnV ultrahigh-strength steels by Ali M., Porter D., Kömi J., Heikkinen E.P., Eissa M., El Faramawy H., Mattar T.

“…Thermodynamic calculations for the expected NMIs formed in the investigated steels with and without ESR were performed using FactSage 7.2 software while HSC Chemistry version 9.6.1 was used to calculate the standard Gibbs free energies (ΔG°). As a result of ESR the total impurity levels (TIL% = O% + N% + S%) and NMI contents decreased by as much as 46 % and 62 %, respectively. …”
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Dissolution, Solubility, and Stability of the Basic Ferric Sulfate-Arsenates [Fe(SO4)x(AsO4)y(OH)z·nH2O] at 25–45°C and pH 2–10 by Zongqiang Zhu, Hongqu Yang, Jie Liu, Yinian Zhu, Shen Tang, Lihao Zhang, Xingxing Wang

“…Based on the dissolution experiment at 25°C and pH 2, the solubility products (Ksp) for the basic ferric sulfate-arsenate [Fe(SO4)0.27(AsO4)0.73 (OH)0.27·0.26H2O], which are equal to the ion activity products (logˍIAP) at equilibrium, were calculated to be -23.04 ± 0.01 with the resulting Gibbs free energies of formation (ΔGfo) of −914.06 ± 0.03 kJ/mol.…”
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Dissolution and Solubility of the Synthetic Natroalunite and the Arsenic-Incorporated Natroalunite at pH of 2.00–5.60 and 25–45°C by Yinian Zhu, Huiling Xuan, Yanpeng Liang, Qiming Yan, Zongqiang Zhu, Zhangnan Jiang, Lihao Zhang, Huili Liu, Shen Tang

“…From the experimental results under the condition of initial pH 2.00 and 25°C, the solubility products [Ksp] and the Gibbs free energies of formation [ΔGf°] were calculated to be 10−81.02±0.33∼10−81.04±0.27 and −4713 ± 2 to −4714 ± 1 kJ/mol for the natroalunite and 10−92.30±0.30∼10−92.41±0.37 and −5078 ± 2 to −5079 ± 2 kJ/mol for the arsenic-incorporated natroalunite, respectively. …”
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