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Browsing by Author "dos Ramos, María Carolina"
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An Examination of the Excess Thermodynamic Properties of Flexible Molecules from a Molecular Modelling Perspective
dos Ramos, María Carolina; Villegas Páez, Ana; Martínez Piñeiro, Manuel; Jiménez Blas, Felipe
(Elsevier, 2014)
Excess thermodynamic properties provide fundamental information on the intermolecular interactions in multicomponent fluid mixtures. However, very often only phase equilibria is used to test the accuracy of any theory or ... -
An Examination of the Ternary Methane + Carbon Dioxide + Water Phase Diagram using the SAFT-VR Approach
Míguez Díaz, José Manuel; dos Ramos, María Carolina; Martínez Piñeiro, Manuel; Jiménez Blas, Felipe (American Chemical Society, 2011)
In this work, the molecular based Variable Range Statistical Associating Fluid Theory (SAFT-VR) has been used to estimate the global phase equilibria diagram of the ternary mixture water + carbon dioxide + methane, over a ... -
Application of the generalised SAFT-VR approach for long-ranged square-well potentials to model the phase behaviour of real fluids
dos Ramos, María Carolina; Docherty, Hugh; Jiménez Blas, Felipe; Galindo, Amparo (Elsevier, 2009)
In a recent generalisation of the SAFT-VR equation of state the method was extended so as to deal with wide square-well ranges, namely, 1.2 ≤ λ ≤ 3.0 [B. H. Patel, H. Docherty, S. Varga, A. Galindo, and G. C. Maitland. ... -
Modelling the phase equilibria and excess properties of the water + carbon dioxide binary mixture
dos Ramos, María Carolina; Jiménez Blas, Felipe; Galindo, Amparo (Elsevier, 2007)
The high-pressure phase diagram and excess thermodynamic properties of the binary mixture of carbon dioxide and water are examined using the statistical associating fluid theory for potentials of variable range (SAFT-VR). ... -
Theoretical investigation of the phase behaviour of model ternary mixtures containing n-alkanes, perfluoro-n-alkanes, and perfluoroalkylalkane diblock surfactants
dos Ramos, María Carolina; Jiménez Blas, Felipe (Taylor and Francis, 2010)
We have used the hetero-SAFT-VR approach developed by McCabe and collaborators [Mol. Phys. 104, 571 (2006)] to investigate the phase equilibria of a number of binary and ternary mixtures of n-alkanes, perfluoro- n-alkanes, ... -
Theory of phase equilibria for model mixtures of n-alkanes, perfluoroalkanes and perfluoroalkylalkane diblock surfactants
dos Ramos, María Carolina; Jiménez Blas, Felipe (Taylor and Francis, 2007)
An extension of the SAFT-VR equation of state, the so-called hetero-SAFT approach [Y. Peng, H. Zhao, and C. McCabe, Molec. Phys. 104, 571 (2006)], is used to examine the phase equilibria exhibited by a number of model ...
