Results 21 to 30 of about 65,345 (302)

STATTHERMO® – NEW SOFTWARE FOR CALCULATION OF THERMODYNAMIC FUNCTIONS [PDF]

, 2017
A new software StatThermo for calculation of thermodynamic functions using the molecular constants in Rigid Rotator – Harmonic Oscillator approximation has been developed. Program includes various prebuilt algorithms to calculate atom coordinates for the
Anatoliy M. Dunaev, Lev S. Kudin
core   +1 more source

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, Marcelle Gaune-Escard, Zhanpeng Jin   +2 more
doaj   +1 more source

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
openaire   +1 more source

Bunsen section thermodynamic model for hydrogen production by the sulfur-Iodine cycle [PDF]

, 2009
A model for the Bunsen section of the Sulfur – Iodine thermo-chemical cycle is proposed, where sulfur dioxide reacts with excess water and iodine to produce two demixing liquid aqueous phases (H2SO4 rich and HI rich) in equilibrium.
Hadj-Kali, Mohamed, Carles, Philippe, Lovera, Patrick, Borgard, Jean-Marc, Joulia, Xavier, Baudouin, Olivier, Floquet, Pascal, Gerbaud, Vincent   +7 more
core   +1 more source

Thermodynamic Parameters of Lead Sulfide Crystals in the Cubic Phase

Фізика і хімія твердого тіла, 2015
Geometric and thermodynamic parameters of cubic PbS crystals were obtained using the computer calculations of the thermodynamic parameters within density functional theory method DFT.
B. P. Volochanska
doaj   +1 more source

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, Ana Kostov, Dragana Živković, Vesna Krstić   +3 more
doaj   +1 more source

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, A. V. Zagorodnyuk, L. І. Nykyruy, B. P. Volochanska, Т. М. Mazur   +4 more
doaj   +1 more source

Thermodynamic description of the C-Ge and C-Mg systems [PDF]

Journal of Mining and Metallurgy. Section B: Metallurgy, 2010
The thermodynamic modeling for the C-Ge and C-Mg systems is performed by the CALPHAD method. The enthalpy of formation for Mg2C3, the experimental value of which is not available in the literature, is obtained via first-principles calculation to refine ...
Hu B., Du Y., Xu H., Sun W., Zhang W.W., Zhao D.   +5 more
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Automated symbolic calculations in nonequilibrium thermodynamics

Computer Physics Communications, 2010
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Martin Kröger, Markus Hütter
openaire   +1 more source

Size-dependent thermodynamic description of the binary Pb-Sn system [PDF]

Journal of Mining and Metallurgy. Section B: Metallurgy, 2017
Recently, a new thermodynamic description of the binary Pb - Sn system was proposed and it seems to be interesting to extend this description on the system, where size of particles plays a key-role.
Gierlotka W.
doaj   +1 more source