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Computation and modeling of critical phenomena with the perturbed chain-statistical associating fluid theory equation of state
(Elsevier Science BvAmsterdamHolanda, 2008)
Multiphase equilibria modeling with GCA-EoS: Part I: Carbon dioxide with the homologous series of alkanes up to 36 carbons
(American Chemical Society, 2015-11-17)
The Group Contribution with Association Equation of State (GCA-EoS) has been successfully applied to represent the global phase behavior of carbon dioxide mixtures with alkanes. Using a single set of parameters, the model ...
Solvent uptake and cavitation
(ElsevierBrasilNúcleo Interdisciplinar de Dinâmica dos Fluidos, 2019)
Multiphase Equilibria Modeling with GCA-EoS. Part II: Carbon Dioxide with the Homologous Series of Alcohols
(American Chemical Society, 2017)
Modeling multiphase equilibria of mixtures comprising carbon dioxide (CO2) and organic compounds is a challenge for any equation of state. CO2 shows a highly nonideal phase behavior with most organic compounds, which is ...
Computation and modeling of tricritical phenomena in ternary and quaternary mixtures using the Perturbed Chain-Statistical Associating Fluid Theory equation of state
(Elsevier Science BvAmsterdamHolanda, 2009)
Dft-cef approach for the thermodynamic properties and volume of stable and metastable al–ni compounds
(Multidisciplinary Digital Publishing Institute, 2020-08)
The Al–Ni system has been intensively studied both experimentally and theoretically. Previous first-principles calculations based on density-functional theory (DFT) typically investigate the stable phases of this system ...
Gibbs energy approach for aqueous processeswith HF, HNO3, and CO2–CaCO3
(AIChE Journal, 2021)
Multiphase Equilibria Modeling of Fast Pyrolysis Bio-Oils: Group Contribution Associating Equation of State Extension to Lignin Monomers and Derivatives
(American Chemical Society, 2019-05)
Fast pyrolysis is a promising route to using biomass as a source of renewable energy and chemicals. For economic feasibility, this process has to be optimized with regard to product yield and handling. One of the big ...
Multiphase Characterization of Cu-In-Sn Alloys with 17 at.% Cu and Comparison with Calculated Phase Equilibria
(Springer, 2017-03)
Cu-In-Sn alloys are among the suggested materials to replace Pb-Sn alloys traditionally used in joining processes by the electronic industry. Thorough thermodynamic understanding is required for the selection/design of ...
Phase equilibrium data on binary and ternary mixtures of methyl palmitate, hydrogen and propane
(Elsevier Science, 2004-10)
The hydrogenolysis of fatty acid methyl esters (FAME) to obtain fatty alcohols, is a catalytic, multiphase reaction. Reaction rates can be greatly increased by using a supercritical solvent to bring the reactive mixture ...