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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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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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Transition of amorphous to crystalline oxide film in initial oxide overgrowth on liquid metals [PDF]
, 2011 It is important to understand the mechanism of oxidation in the initial stage on the free surface of liquid metals. Mittemeijer and co-workers recently developed a thermodynamic model to study the oxide overgrowth on a solid metal surface.
Antonow GN +7 more
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Pressure Calculation in Polar and Charged Systems using Ewald Summation: Results for the Extended Simple Point Charge Model of Water [PDF]
, 1998 Ewald summation and physically equivalent methods such as particle-mesh Ewald, kubic-harmonic expansions, or Lekner sums are commonly used to calculate long-range electrostatic interactions in computer simulations of polar and charged substances.
Gerhard Hummer +3 more
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Spreadsheet Calculations Of Thermodynamic Properties [PDF]
2005 Annual Conference Proceedings, 2020 Comment: 14 ...
Tom Mincer +2 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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Analytic Approach to Alloys Thermodynamics: Ternary Cu-Ga-Ni system [PDF]
Materials Research, 2016 In this paper are presented the results of the calculation of thermodynamic properties in liquid state for ternary Cu-Ga-Ni alloys using the newest version of general solution model.
Lidija Gomidželović +3 more
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