Results 11 to 20 of about 53,841 (260)
Thermodynamic predicting of Si-Me (Me = Ti, Al) binary systems [PDF]
Journal of Mining and Metallurgy. Section B: Metallurgy, 2007 Thermodynamic predicting analysis of Si-based binary systems - Ti-Si, and Al-Si, are shown in this paper. Thermodynamic analysis involved thermodynamic determination of activities, coefficient of activities, partial and integral values for enthalpies and
Kostov A., Živković D., Friedrich B.
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Thermodynamic calculations in biological systems
Biophysical Chemistry, 2005 The ability to compute intra- and inter-molecular interactions provides the opportunity to gain a deeper understanding of previously intractable problems in biochemistry and biophysics. This review presents three examples in which molecular dynamics calculations were used to gain insight into the atomic detail underlying important experimental ...
Amzel, L. Mario +3 more
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Direct calculation of thermodynamic quantities for the Heisenberg model [PDF]
Journal of Mathematical Physics, 2002 The XXX Heisenberg model is studied at finite temperature. The free energy is derived without recourse to thermal Bethe ansatz method and quantum transfer matrix method. The result perfectly agrees with the free energy derived by thermal Bethe ansatz method. An explicit expression of the cluster expansion coefficient in arbitrary order is presented for
Kato, Go, Wadati, Miki
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Thermodynamics of iron oxide gas-solid reduction based on the minimized Gibbs free energy principle
工程科学学报, 2017 A thermodynamic model for gas-solid reduction reactions of iron oxides was established based on the minimized Gibbs free energy principle. On the basis of the model calculation results, the equilibrium diagram for the gas-solid reduction reactions of ...
LI Bin +3 more
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Thermodynamic calculation of phase equilibria in stainless steels [PDF]
Journal of Mining and Metallurgy. Section B: Metallurgy, 2012 In this paper two examples of thermodynamic investigation of stainless steels using both, experimental and modeling approach are described. The ferritic-austenitic duplex stainless steel and austenitic stainless steel were investigated using thermal ...
Klančnik G. +2 more
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Study of Supercritical CO2 Physical Property Calculation Models
Frontiers in Energy Research, 2022 The supercritical CO2 (SC-CO2) thermodynamic cycle has been a promising and revolutionary technology. Related research has put higher demands on CO2 physical property calculations in terms of computational accuracy and speed.
Luyue Min +6 more
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MATEC Web of Conferences, 2018 In this work analysis, modernization and software implementation and an algorithm for thermodynamic calculation on the basis of the Benedikt-Webb-Rubin actual gas equation are performed.
Aksenov Aleksey +3 more
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Interactive Experimentation and Modeling for Phase Equilibrium
Data Science Journal, 2007 The thermodynamic descriptions of the perovskite phase SrZrO3 and the TbBr3-KBr molten salt system were carried out using the available experimental information.
Weiping Gong +2 more
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Hybrid thermodynamic calculations
Journal of Physics: Conference Series, 2019 Dimensions of some physicochemical constants are discussed in relation to the mathematical methods used in power engineering calculations. It is shown that using contemporary software, numerical and symbolic methods can be combined in thermodynamic calculations, e.g., to calculate thermodynamic cycles, including binary cycles.
V Ochkov, K Orlov, S Gurke
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THERMODYNAMIC PARAMETERS OF LEAD SULFIDE CRYSTALS IN THE CUBIC PHASE
Journal of Vasyl Stefanyk Precarpathian National University, 2016 Geometric and thermodynamic parameters of cubic PbS crystals were obtained using the computer calculations of the thermodynamic parameters within density functional theory method DFT.
T. O. Parashchuk +4 more
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