Thermodynamic Modeling of Phase Diagrams of Binary and Ternary Oxide Systems Belonging to the FeO–MgO–MnO–Al2O3 System
Sign Up to like & getrecommendations! Published in 2020 at "Refractories and Industrial Ceramics"
DOI: 10.1007/s11148-020-00482-4
Abstract: Thermodynamic modeling of phase diagrams of the FeO–MnO, MnO–MgO, MnO–Al 2 O 3 , FeO–MgO–MnO, FeO–MnO–Al 2 O 3 , and MgO–MnO–Al 2 O 3 systems was carried out. The energy parameters of the theories… read more here.
Keywords: modeling phase; phase diagrams; mno; thermodynamic modeling ... See more keywords
Thermodynamic modeling of the deposition of Si—C—N films from the gas phase during the decomposition of organosilicon compounds
Sign Up to like & getrecommendations! Published in 2018 at "Russian Chemical Bulletin"
DOI: 10.1007/s11172-018-2167-7
Abstract: Thermodynamic modeling of the process of chemical vapor deposition (CVD) of SiCx and SiCxNy films from the gas phase was carried out using organosilicon compounds (EtN(SiMe3)2, PhN(SiMe3)2, and PhSiMe3) at reactor pressures of 0.01 and… read more here.
Keywords: phase; deposition; films gas; thermodynamic modeling ... See more keywords
Thermodynamic Modeling of the Pb-S and Cu-Pb-S Systems with Focus on Lead Refining Conditions
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Phase Equilibria and Diffusion"
DOI: 10.1007/s11669-020-00811-7
Abstract: Thermodynamic modeling of the Pb-S and Cu-Pb-S systems is presented. All available experimental data in these systems are collected, assessed and used to optimize the model parameters. For the liquid phase, a solution (Cu I… read more here.
Keywords: focus lead; systems focus; thermodynamic modeling; refining ... See more keywords
Thermodynamic Modeling of the Al-Li-Zr Ternary System
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DOI: 10.1007/s11669-020-00827-z
Abstract: Using CALPHAD method, the Al-Zr, Al-Li and Al-Li-Zr systems have been reassessed based on the latest experimental phase relations from literatures and the first-principle calculation of the formation enthalpy for ternary compound T1(AlLi2Zr) in this… read more here.
Keywords: ternary system; modeling ternary; system; thermodynamic modeling ... See more keywords
Thermodynamic Modeling of Sustainable Non-ferrous Metals Production: Part I
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DOI: 10.1007/s11837-020-04217-1
Abstract: Demand for nonferrous metals continues to increase globally, as they are essential in a variety of high-tech applications, including in the renewable energy sector. For example, European manufacturing capacity for Li-ion batteries, which require a… read more here.
Keywords: committee; process; thermodynamic modeling; modeling sustainable ... See more keywords
Prediction and optimization of bulk metallic glass-forming compositions in Zr-Ni-Cu-Al system by thermodynamic modeling
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DOI: 10.1016/j.chemphys.2021.111254
Abstract: Abstract The search for new criteria to predict glass-forming ability (GFA) in multicomponent metallic alloys is an important task from both fundamental and practical points of view. The decades of research have suggested that both… read more here.
Keywords: glass forming; thermodynamic modeling; prediction; bulk metallic ... See more keywords
Thermodynamic modeling of CO2 absorption in aqueous solutions of N,N-diethylethanolamine (DEEA) and N-methyl-1,3-propanediamine (MAPA) and their mixtures for carbon capture process simulation
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Engineering Research and Design"
DOI: 10.1016/j.cherd.2020.02.029
Abstract: Abstract Carbone capture by absorption–regeneration technology is a well-known process. However, the development and utilization of new solvents remains crucial to lower its energy consumption. Therefore, an accurate thermodynamic modeling is essential for the process… read more here.
Keywords: absorption; mapa; process; co2 absorption ... See more keywords
Ab initio study and thermodynamic modeling of the Pd-Si-C system
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DOI: 10.1016/j.commatsci.2019.109238
Abstract: Abstract Understanding phase stability in the Pd-Si-C ternary system is important for predicting the high-temperature behavior of tristructural isotropic (TRISO) nuclear fuels for high-temperature gas-cooled reactors. Here, we employ ab initio evolutionary search to predict… read more here.
Keywords: system; study thermodynamic; initio; initio study ... See more keywords
Thermodynamic modeling of a novel solar powered quad generation system to meet electrical and thermal loads of residential building and syngas production
Sign Up to like & getrecommendations! Published in 2019 at "Energy Conversion and Management"
DOI: 10.1016/j.enconman.2019.111982
Abstract: Abstract This work deals with the proposal and thermodynamic modeling of an integrated solar powered energy system for residential building application. The main components of the system are: (i) A parabolic trough solar collector, (ii)… read more here.
Keywords: production; system; energy; thermodynamic modeling ... See more keywords
Gibbs energy minimization using Lagrange method of undetermined multipliers for electrochemical and thermodynamic modeling of a MCFC with internal steam reforming
Sign Up to like & getrecommendations! Published in 2021 at "Energy Conversion and Management"
DOI: 10.1016/j.enconman.2020.113594
Abstract: Abstract Precise determination of the chemical equilibrium state is important for electrochemical and thermodynamic modeling of a molten carbonate fuel cell (MCFC). One method for determining the equilibrium state of a MCFC with internal reforming… read more here.
Keywords: lagrange method; energy; electrochemical thermodynamic; method ... See more keywords
Critical evaluation and thermodynamic modeling of the Pd–Sn system
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DOI: 10.1016/j.intermet.2020.106945
Abstract: Abstract The single crystalline material PdSn4, a homologue of the Dirac nodal arc semimetal PtSn4, is a promising candidate to search for new topological states with fascinating quantum physical properties. In the present work, the… read more here.
Keywords: system; modeling system; thermodynamic modeling; critical evaluation ... See more keywords