Results 11 to 20 of about 1,452,203 (200)
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
doaj +7 more sources
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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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
openaire +4 more sources
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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The interplay between thermodynamics and kinetics in the solid-state synthesis of layered oxides. [PDF]
, 2020 In the synthesis of inorganic materials, reactions often yield non-equilibrium kinetic byproducts instead of the thermodynamic equilibrium phase. Understanding the competition between thermodynamics and kinetics is a fundamental step towards the rational
Bai, Jianming +14 more
core +1 more source
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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Equilibrium and out of equilibrium phase transitions in systems with long range interactions and in 2D flows [PDF]
, 2007 In self-gravitating stars, two dimensional or geophysical flows and in plasmas, long range interactions imply a lack of additivity for the energy; as a consequence, the usual thermodynamic limit is not appropriate.
Alessandro Campa +6 more
core +4 more sources
Disentangling dynamical phase transitions from equilibrium phase transitions [PDF]
, 2014 Dynamical phase transitions (DPT) occur after quenching some global parameters in quantum systems and are signalled by the non-analytical time evolution of the dynamical free energy, which is calculated from the Loschmidt overlap between the initial and ...
Dóra, Balázs, Vajna, Szabolcs
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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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