Results 11 to 20 of about 8,667,788 (154)
GiFE: A Molecular-Size Agnostic and Understandable Gibbs Free Energy Function [PDF]
, 2023 A fully defined and molecular-size agnostic Gibb’s free energy function that uses strictly structural parameters as input would permit real-time energetics determination and optimization of molecules heretofore intractable at ab initio levels.
Victor, Batista, Jessica, Freeze
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Correlation Between Reduced Mass and Gibbs Energy Change of Reaction [PDF]
, 2021 The correlation between the Gibbs free energy change of reaction and the reduced mass was clarified. In the case of bond formation reactions, the computed Gibbs energy change of reaction increased in the positive direction as the reduced mass increased ...
Masatoshi, Kawashima
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Kuangchan zonghe liyong, 2023 This is an essay in the field of metallurgical engineering. Thermodynamics of the reaction, hydrochloric acid leaching for waste ceria-based rare earth polishing powder, was studied in this work.The influences on the leaching rate of the waste polishing ...
Shuo Dong +4 more
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DEVELOPMENT OF THE Fe–Al ALLOY PHASE EQUILIBRIUM SYSTEM AND THE Fe–Al–C TRIPLE SYSTEM IN THE THERMO-CALC PROGRAM [PDF]
European Journal of Materials Science and EngineeringIn this study, the phase diagrams of the Fe–Al binary and Fe–Al–C ternary systems were analyzed using the Thermo-Calc program. Based on Gibbs free energy, enthalpy, and other thermodynamic parameters, the stability of intermetallic phases under various ...
RAKHMATALIEV Shohruh , BENKE Marton
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Analytical prediction of enthalpy and Gibbs free energy of gaseous molecules
Chemical Thermodynamics and Thermal Analysis, 2022 By employing the improved deformed Pöschl-Teller oscillator to describe the internal vibration of a diatomic molecule, new equations for predicting the molar enthalpy and Gibbs free energy of diatomic molecules were obtained.
E.S. Eyube, P.P. Notani, H. Samaila
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Arsenate and Arsenite Reaction Kinetics with Ferric Hydroxides Using Quantum Chemical Calculations
Chimica Techno Acta, 2018 The knowledge of the mechanism involved in the process of adsorption and desorption of arsenate and arsenite with ferric hydroxides is important to address the water toxicity problems and to tackle the adverse effect of these substances in nature.
Cijin J. George +3 more
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Calculation of Gibbs free energy of curcumin.
, 2022 Calculation of Gibbs free energy of curcumin.
Khalid Mahmood (259708) +6 more
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Фізика і хімія твердого тіла, 2018 In this paper, the important thermal characteristics of matter (they describe thermodynamic systems in a state of thermodynamic equilibrium) were calculated.
Yaroslav S. Budzhak, Tadeusz Waclawski
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Applied Sciences, 2018 Considering the potential applications of continuously rotating detonation (CRD) combustors in gas turbines, this paper performed a numerical investigation into the pressure gain performance of CRD combustors, using methane–air as a reactive mixture and ...
Hongtao Zheng +4 more
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The interaction Study of Binary mixture containing Biosurfactant of sodium cholate and anionic surfactant of sodium dodecyl sulfate using conductometric technique [PDF]
شیمی کاربردی روز, 2021 In this study, the micellization behavior of the sodium cholate (SCH) and sodium dodecyl sulfate (SDS), in aqueous solution in pure state, and mixture of them (SCH + SDS) in different mole fractions were investigated by conductometric method at 298.15 K.
Arezoo Moradi, Ahmad Bagheri
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