Results 31 to 40 of about 65,345 (302)
Applied Sciences, 2021 A RESRAD-OFFISTE computational code for the safety assessment model of a radioactive waste repository was utilized to evaluate the influence of the updated OECD/NEA thermodynamic database on the safety assessment model in terms of exposure dose.
Jun-Yeop Lee +2 more
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International Journal of Chemical Engineering, 2022 The thermodynamic properties of pure compounds are relevant data for process systems engineering. Different first-order group contribution models have been reported in the literature to calculate these properties and they are also widely employed in ...
Vanessa Villazón-León +2 more
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HIx system thermodynamic model for hydrogen production by the sulfur-iodine cycle [PDF]
, 2009 The HIx ternary system (H2O – HI – I2) is the latent source of hydrogen for the Sulfur – Iodine thermo-chemical cycle. After analysis of the literature data and models, a homogeneous approach with the Peng-Robinson equation of state used for both the ...
Hadj-Kali, Mohamed +6 more
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CALCULATION OF THE THERMODYNAMIC PROPERTIES OF GASES [PDF]
, 1983 The several programs tabulated in this document are designed to calculate the translational, electronic, vibrational and rotational contributions to the thermodynamic functions of gaseous molecules.
Brewer, L., Hahn, S.
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Evolution of inclusions in calcium-treated H13 die steel
工程科学学报, 2018 The laboratory experiments of inclusions in H13 die steel modified by Ca treatment were employed in a vacuum induction furnace and the inclusions were analyzed using a scanning electron microscope equipped with an energy dispersive spectrometer in the ...
WANG Hao +3 more
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Generalized Maxwell equal area law and black holes in complex free energy
Physics Letters BMaxwell equal area law is an important and traditional analytical tool in thermodynamic phase transition, especially in the calculation of gas-liquid phase transition, which reconciles the theoretical calculation with the experimental results ...
Zhen-Ming Xu +3 more
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Algorithm to optimize thermodynamic parameters: A review [PDF]
Journal of Mining and Metallurgy. Section B: MetallurgyComputational thermodynamics provides essential information for materials design. The CALPHAD (CALculation of PHAse Diagrams) method based on thermodynamic databases can be used for thermodynamic optimization and for calculating phase diagrams and ...
Zhang Liang +8 more
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Gas phase bond dissociation enthalpies and enthalpies of isomerization/reaction for small hydrocarbon combustion related compounds between 300 and 1500 K: A comparison of Gaussian-4 (G4) theoretical values against experimental data [PDF]
, 2010 Gas phase calculations at 1 atmosphere pressure between 300 and 1500 K at 200 K intervals were conducted using the Gaussian-4 (G4) composite method level of theory on a representative set of reactions having broad relevance in hydrocarbon combustion ...
Sierra Rayne, Kaya Forest
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Phase Formation and Microstructure Evolution of Al-5Si-0.8Mg Alloys with Different Mn Concentrations
Metals, 2021 Mg-containing high-Si aluminum alloys are heat-treatable alloys that are widely used in industry. Substantial attention has been paid to increasing the performance of such alloys by adding a small amount of Mn, which is an effective and common alloying ...
Ni Tian +6 more
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T-Pile—a package for thermodynamic calculations for biomolecules
Bioinformatics, 2007 AbstractSummary: Molecular dynamics and Monte Carlo, usually conducted in canonical ensemble, deliver a plethora of biomolecular conformations. Proper analysis of the simulation data is a crucial part of biophysical and bioinformatics studies. Sequence alignment problem can be also formulated in terms of Boltzmann distribution.
Dominik Gront, Andrzej Kolinski
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