Thesis Collection
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Browsing by Author "Vega, Lourdes F."
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Application of the fundamental measure density functional theory to the adsorption in cylindrical pores
Jiménez Blas, Felipe
; Vega, Lourdes F.; Bonet Ávalos, Josep; Figueroa-Gerstenmaier, Susana (AIP Publishing, 2003)
In this work we have implemented the fundamental-measure density functional theory due to Kierlik and Rosinberg to describe the adsorption of Lennard-Jones molecules in cylindrical pores. The accuracy of the theory in ... -
Critical behavior and partial miscibility phenomena in binary mixtures of hydrocarbons by the statistical associating fluid theory
Jiménez Blas, Felipe; Vega, Lourdes F. (AIP Publishing, 1998)
Predictions of critical lines and partial miscibility of binary mixtures of hydrocarbons have been made by using a modified version of the statistical associating fluid theory (SAFT). The so-called soft-SAFT equation of ... -
Improved vapor–liquid equilibria predictions for Lennard-Jones chains from the statistical associating fluid dimer theory: Comparison with Monte Carlo simulations
Jiménez Blas, Felipe; Vega, Lourdes F. (2001)
The statistical associating fluid theory (SAFT), with monomer and dimer Lennard-Jones (LJ) reference fluids, is used to predict the phase equilibria of pure chains with different lengths. Predictions from the two versions ... -
Thermodynamic properties and phase equilibria of branched chain fluids using first- and second-order Wertheim’s thermodynamic perturbation theory
Jiménez Blas, Felipe; Vega, Lourdes F. (AIP Publishing, 2001)
We present an extension of the statistical associating fluid theory (SAFT) for branched chain molecules using Wertheim’s first- and second-order thermodynamic perturbation theory with a hard-sphere reference fluid (SAFT-B). ...
