Browsing by Author "Galindo, Amparo"

Now showing items 1-7 of 7

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. ...
Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range

Llovel, Fèlix; Galindo, Amparo; Jiménez Blas, Felipe; Jackson, George (AIP Publishing, 2010)

The statistical associating fluid theory for attractive potentials of variable range (SAFT-VR) density functional theory (DFT) developed by [G. J. Gloor et al., J. Chem. Phys. 121, 12740 (2004)] is revisited and generalized ...
Extending Wertheim’s perturbation theory to the solid phase of Lennard-Jones chains: Determination of the global phase diagram

Jiménez Blas, Felipe; Vega, C.; Galindo, Amparo (AIP Publishing, 2002)

Wertheim’s first order thermodynamic perturbation theory (TPT1) [M. S. Wertheim, J. Chem. Phys. 87, 7323 (1987)] is extended to model the solid phase of chains whose monomers interact via a Lennard-Jones potential. Such ...
Fluid–solid equilibria of flexible and linear rigid tangent chains from Wertheim’s thermodynamic perturbation theory

Jiménez Blas, Felipe; Sanz, Eduardo; Vega, C.; Galindo, Amparo (AIP Publishing, 2003)

An extension of Wertheim’s first-order thermodynamic perturbation theory is proposed to describe the global phase behavior of linear rigid tangent hard sphere chains. The extension is based on a scaling proposed recently ...
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). ...
Study of the high pressure phase behaviour of CO2+n-alkane mixtures using the SAFT-VR approach with transferable parameters

Jiménez Blas, Felipe; Galindo, Amparo (Elsevier, 2002)

The statistical associating fluid theory for potentials of variable range (SAFT-VR) is used to examine the phase behaviour in the CO2 + n-alkane homologous series. A unique set of transferable parameters for the unlike ...
Study of the solid–liquid–vapour phase equilibria of flexible chain molecules using Wertheim’s thermodynamic perturbation theory

Jiménez Blas, Felipe; Galindo, Amparo; Vega, Carlos (Taylor and Francis, 2003)

The phase diagram of flexible molecules formed by freely-jointed tangent spheres is studied using the first-order thermodynamic perturbation theory of Wertheim for both fluid and solid phases. A mean-field term is added ...

Browsing by Author "Galindo, Amparo"

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. ...

The statistical associating fluid theory for attractive potentials of variable range (SAFT-VR) density functional theory (DFT) developed by [G. J. Gloor et al., J. Chem. Phys. 121, 12740 (2004)] is revisited and generalized ...

Wertheim’s first order thermodynamic perturbation theory (TPT1) [M. S. Wertheim, J. Chem. Phys. 87, 7323 (1987)] is extended to model the solid phase of chains whose monomers interact via a Lennard-Jones potential. Such ...

Browsing by Author "Galindo, Amparo"

Application of the generalised SAFT-VR approach for long-ranged square-well potentials to model the phase behaviour of real fluids ﻿

Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range ﻿

Extending Wertheim’s perturbation theory to the solid phase of Lennard-Jones chains: Determination of the global phase diagram ﻿

Fluid–solid equilibria of flexible and linear rigid tangent chains from Wertheim’s thermodynamic perturbation theory ﻿

Modelling the phase equilibria and excess properties of the water + carbon dioxide binary mixture ﻿

Study of the high pressure phase behaviour of CO2+n-alkane mixtures using the SAFT-VR approach with transferable parameters ﻿

Study of the solid–liquid–vapour phase equilibria of flexible chain molecules using Wertheim’s thermodynamic perturbation theory ﻿

Browsing by Author "Galindo, Amparo"

Application of the generalised SAFT-VR approach for long-ranged square-well potentials to model the phase behaviour of real fluids ﻿

Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range ﻿

Extending Wertheim’s perturbation theory to the solid phase of Lennard-Jones chains: Determination of the global phase diagram ﻿

Fluid–solid equilibria of flexible and linear rigid tangent chains from Wertheim’s thermodynamic perturbation theory ﻿

Modelling the phase equilibria and excess properties of the water + carbon dioxide binary mixture ﻿

Study of the high pressure phase behaviour of CO2+n-alkane mixtures using the SAFT-VR approach with transferable parameters ﻿

Study of the solid–liquid–vapour phase equilibria of flexible chain molecules using Wertheim’s thermodynamic perturbation theory ﻿

Application of the generalised SAFT-VR approach for long-ranged square-well potentials to model the phase behaviour of real fluids

Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range

Extending Wertheim’s perturbation theory to the solid phase of Lennard-Jones chains: Determination of the global phase diagram

Fluid–solid equilibria of flexible and linear rigid tangent chains from Wertheim’s thermodynamic perturbation theory

Modelling the phase equilibria and excess properties of the water + carbon dioxide binary mixture

Study of the high pressure phase behaviour of CO2+n-alkane mixtures using the SAFT-VR approach with transferable parameters

Study of the solid–liquid–vapour phase equilibria of flexible chain molecules using Wertheim’s thermodynamic perturbation theory

Application of the generalised SAFT-VR approach for long-ranged square-well potentials to model the phase behaviour of real fluids

Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range

Extending Wertheim’s perturbation theory to the solid phase of Lennard-Jones chains: Determination of the global phase diagram

Fluid–solid equilibria of flexible and linear rigid tangent chains from Wertheim’s thermodynamic perturbation theory

Modelling the phase equilibria and excess properties of the water + carbon dioxide binary mixture

Study of the high pressure phase behaviour of CO2+n-alkane mixtures using the SAFT-VR approach with transferable parameters

Study of the solid–liquid–vapour phase equilibria of flexible chain molecules using Wertheim’s thermodynamic perturbation theory