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List of works by Lourdes Vega

A methodology to parameterize SAFT-type equations of state for solid precursors of deep eutectic solvents: the example of cholinium chloride

scientific article published on 01 July 2019

A new method using compressed CO2 for the in situ functionalization of mesoporous silica with hyperbranched polymers.

scientific article published in December 2013

A novel solventless coating method to graft low-molecular weight polyethyleneimine on silica fine powders

scientific article

Application of a renormalization-group treatment to the statistical associating fluid theory for potentials of variable range (SAFT-VR).

scientific article published in April 2011

Assessing the N2O/CO2 high pressure separation using ionic liquids with the soft-SAFT EoS

Calculation of the force between surfaces coated with grafted molecules by molecular simulation

scientific article published on 01 January 2006

Capturing the solubility minima of n-alkanes in water by soft-SAFT.

scientific article

Coexistence Densities of Methane and Propane by Canonical Molecular Dynamics and Gibbs Ensemble Monte Carlo Simulations

Computational study of ibuprofen removal from water by adsorption in realistic activated carbons

scientific article published on 18 March 2017

Densities and Vapor Pressures of Highly Fluorinated Compounds

Development of simple and transferable molecular models for biodiesel production with the soft-SAFT equation of state

Effect of high carbon dioxide atmosphere packaging and soluble gas stabilization pre-treatment on the shelf-life and quality of chicken drumsticks.

scientific article published on 29 December 2012

Effect of immobilized amines on the sorption properties of solid materials: impregnation versus grafting

scientific article published on 18 December 2012

Engineering the TiO2 outermost layers using magnesium for carbon dioxide photoreduction

scholarly article by Marta Manzanares et al published May 2014 in Applied Catalysis B: Environmental

Evaluation of the solvent structural effect upon the vapor –liquid equilibrium of [C 4 C 1 im][Cl] + alcohols

Free-volume theory coupled with soft-SAFT for viscosity calculations: comparison with molecular simulation and experimental data.

scientific article

Global fluid phase equilibria and critical phenomena of selected mixtures using the crossover soft-SAFT equation.

scientific article published in January 2006

High pressure separation of greenhouse gases from air with 1-ethyl-3-methylimidazolium methyl-phosphonate

High pressure solubility of CH 4 , N 2 O and N 2 in 1-butyl-3-methylimidazolium dicyanamide: Solubilities, selectivities and soft-SAFT modeling

Influence of the concentration of CO2 and SO2 on the absorption of CO2 by a lithium orthosilicate-based absorbent

scientific article published on 15 July 2011

Insights into the influence of the molecular structures of fluorinated ionic liquids on their thermophysical properties. A soft-SAFT based approach

scientific article published on 01 March 2019

Interfacial anomaly in low global warming potential refrigerant blends as predicted by molecular dynamics simulations

scientific article published on 01 October 2019

Interfacial properties of Lennard-Jones chains by direct simulation and density gradient theory

scientific article published on 01 December 2004

Liquid–liquid equilibrium of (perfluoroalkane+alkane) binary mixtures

Liquid–liquid equilibrium of substituted perfluoro-n-octane+n-octane systems

Measurement and Modeling of Isobaric Vapor–Liquid Equilibrium of Water + Glycols

Microporous carbon adsorbents with high CO2 capacities for industrial applications

scientific article published on 05 August 2011

Modeling complex associating mixtures with [Cn-mim][Tf2N] ionic liquids: predictions from the soft-SAFT equation.

scientific article

Modeling the Phase Equilibria of Poly(ethylene glycol) Binary Mixtures with soft-SAFT EoS

Modeling the Self-Assembly of Nano Objects: Applications to Supramolecular Organic Monolayers Adsorbed on Metal Surfaces

scientific article published on 23 April 2013

Modeling the absorption of weak electrolytes and acid gases with ionic liquids using the soft-SAFT approach

scientific article published on 21 June 2012

New Procedure for Enhancing the Transferability of Statistical Associating Fluid Theory (SAFT) Molecular Parameters: The Role of Derivative Properties

New experimental density data and soft-SAFT models of alkylimidazolium ([C(n)C₁im]⁺) chloride (Cl⁻), methylsulfate ([MeSO₄]⁻), and dimethylphosphate ([Me₂PO₄]⁻) based ionic liquids.

scientific article

Nitrogen and Water Adsorption in Aluminum Methylphosphonate α: A Molecular Simulation Study

scientific article published on 01 March 2006

Optimized molecular force field for sulfur hexafluoride simulations

scientific article published on 01 April 2007

Perfect wetting along a three-phase line: theory and molecular dynamics simulations.

scientific article published in June 2006

Pharmaceuticals Removal from Water Effluents by Adsorption on Activated Carbons: a Monte Carlo Simulation Study

scientific article

Phase Equilibria of Ethylene Glycol Oligomers and Their Mixtures

Phase and interface behaviors in type-I and type-V Lennard-Jones mixtures: theory and simulations

scientific article published on 01 July 2005

Phase equilibria description of biodiesels with water and alcohols for the optimal design of the production and purification process

Polar soft-SAFT: theory and comparison with molecular simulations and experimental data of pure polar fluids

scientific article published on 04 June 2020

Pore size distribution analysis of selected hexagonal mesoporous silicas by grand canonical Monte Carlo simulations.

scientific article published in September 2005

Prediction of thermodynamic derivative properties of pure fluids through the Soft-SAFT equation of state.

scientific article published in June 2006

Selective adsorption of volatile organic compounds in micropore aluminum methylphosphonate-alpha: a combined molecular simulation-experimental approach

scientific article published on 26 May 2007

Selective paraffin removal from ethane/ethylene mixtures by adsorption into aluminum methylphosphonate-alpha: a molecular simulation study

scientific article published in February 2009

Solubility of greenhouse and acid gases on the [C 4 mim][MeSO 4 ] ionic liquid for gas separation and CO 2 conversion

scholarly article by Fèlix Llovell et al published October 2015 in Catalysis Today

Some issues on the calculation of interfacial properties by molecular simulation.

scientific article published in November 2004

Sulfur hexafluoride's liquid-vapor coexistence curve, interfacial properties, and diffusion coefficients as predicted by a simple rigid model

scientific article

Surface tension of binary mixtures of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids: experimental measurements and soft-SAFT modeling.

scientific article

The phase and interfacial properties of azeotropic refrigerants: the prediction of aneotropes from molecular theory.

scientific article

Thermodynamic properties and aggregate formation of surfactant-like molecules from theory and simulation

scientific article published on 01 May 2004

Thermodynamic properties of Lennard-Jones chain molecules: renormalization-group corrections to a modified statistical associating fluid theory.

scientific article published in December 2004

Thermophysical Characterization of Ionic Liquids Based on the Perfluorobutanesulfonate Anion: Experimental and Soft-SAFT Modeling Results

scientific article published on 4 May 2017

Transport properties of mixtures by the soft-SAFT + free-volume theory: application to mixtures of n-alkanes and hydrofluorocarbons

scientific article published on 19 April 2013

Transport properties of the ionic liquid 1-ethyl-3-methylimidazolium chloride from equilibrium molecular dynamics simulation. The effect of temperature

scientific article published in July 2006

Vapor−Liquid Equilibrium of Carbon Dioxide−Perfluoroalkane Mixtures: Experimental Data and SAFT Modeling

Water liquid-vapor equilibria predicted by refined ab initio derived potentials

scientific article published on 01 July 2005

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