Results 1 to 10 of about 1,443,184 (294)
Two-Phase Equilibrium Conditions in Nanopores [PDF]
Nanomaterials, 2020 It is known that thermodynamic properties of a system change upon confinement. To know how, is important for modelling of porous media. We propose to use Hill’s systematic thermodynamic analysis of confined systems to describe two-phase equilibrium
Michael T. Rauter +7 more
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Frontiers in Earth Science, 2023 Improving the robustness and efficiency of flash calculations in phase equilibrium is crucial for reservoir simulation. DL-KF (Deep Learning for K-values and Fugacity Calculation) modeling is proposed to accelerate phase equilibrium calculation using ...
Zhixue Zheng, Yuan Di, Enyi Yu
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Force Field for Calculation of the Vapor-Liquid Phase Equilibrium of trans-Decalin
ChemEngineering, 2023 Based on the TraPPE force field, previously unknown values of the parameters of the intermolecular interaction potential of trans-decalin were determined.
Ivan P. Anashkin, Alexander V. Klinov
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Experimental Investigation of the Isothermal Section in the Al–Si–Y System at 773 K
Metals, 2022 The phase equilibrium and phase transformation of the Al–Si–Y ternary system were investigated in 80 annealed alloys using an electron probe microanalysis (EPMA), X-ray diffractometry (XRD) and differential scanning calorimetry (DSC).
Lu Yang +11 more
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On the accounting of capillary forces in the modeling of gas-condensate mixtures
Известия высших учебных заведений: Нефть и газ, 2022 This article is devoted to the study of the effect of the capillary pressure jump (CPJ) on the phase equilibrium between the liquid and gas phases, which are described by the Peng-Robinson equation of state.
M. I. Raikovskyi +2 more
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Tautomeric Equilibrium in Condensed Phases [PDF]
Journal of Chemical Theory and Computation, 2020 We present an ab initio molecular dynamics (MD) investigation of the tautomeric equilibrium for aqueous solutions of glycine and acetone at realistic experimental conditions. Metadynamics is used to accelerate proton migration among tautomeric centers.
Emanuele Grifoni +2 more
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Experimental Investigation of the Ti-Nb-Sn Isothermal Section at 1173 K
Metals, 2016 Isothermal section of Ti-Nb-Sn at 1173 K was experimentally studied by back-scattered electron, electron probe microanalysis and X-ray diffraction analysis. Solid solution phase β(Ti, Nb), liquid Sn and eight intermetallic compounds Ti3Sn, Ti2Sn, Ti5Sn3,
Jianli Wang +5 more
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Phase coexistence far from equilibrium
New Journal of Physics, 2016 Investigation of simple far-from-equilibrium systems exhibiting phase separation leads to the conclusion that phase coexistence is not well defined in this context.
Ronald Dickman
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Phase Equilibrium and Austenite Decomposition in Advanced High-Strength Medium-Mn Bainitic Steels
Metals, 2016 The work addresses the phase equilibrium analysis and austenite decomposition of two Nb-microalloyed medium-Mn steels containing 3% and 5% Mn. The pseudobinary Fe-C diagrams of the steels were calculated using Thermo-Calc.
Adam Grajcar +3 more
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Energies, 2020 Hydrate-based CO2 capture from large emission sources is considered a promising process for greenhouse gas mitigation. The addition of nanoparticles may promote or inhibit the formation of hydrates.
Yu Liu +4 more
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