• Dr. Fèlix Llovell Ferret

Dr. Fèlix Llovell

Department of Chemical Engineering and Materials Science
IQS School of Engineering
Universitat Ramon Llull
Via Augusta 390, E-08017 Barcelona, España
Tel. +34 93 267 20 00    Ext. 393
Fax +34 93 205 62 66 


Assistant Professor at Institut Químic de Sarrià (IQS, 2015-) 
TALENT Research Associate at MATGAS 2000 AIE (2011-2015).
JAE Postdoctoral Research Associate at Institut de Ciència de Materials de Barcelona (ICMAB-CSIC, 2009-2011)
Post-doctoral Research Associate at Imperial College London (2007-2009)
PhD on Chemical Physics (University Autònoma de Barcelona, UAB, 2006)
Diploma de Advanced Studied in the program Graduate Studies in Chemical Engineering (Universiy Rovira i Virgili (URV, 2004)
Bachelor in Chemical Engineering (University Rovira i Virgili - URV, 2002).



Laboratory of Chemical Engineering (Master Degree in Chemical Engineering)
Process Systems Control (Master Degree in Chemical Engineering)
Thermodynamics and kinetics (Undergraduate Programme in Biotechnology)
Physical-Chemistry (Undergraduate Programme in Pharmacy) 



Development, use and improvement molecular modeling tools for practical applications to complex systems of industrial interest, with particular focus on the physicochemical characterization of new solvents:  
  • Development and improvement of molecular-based equations of state.
  • Renormalization-group theory applied to the study of the critical region of fluids.
  • Application of Density Functional Theories for the study of interfaces.
  • Development of predictive methodologies for the study of transport properties.
  • Process fluidodynamics studies through Computational Fluid Dynamics (CFD).
Areas of application:
  • Development of coarse-grained molecular models of ionic liquids and eutectic solvents.
  • Optimization of the enhanced oil recovery process.
  • Thermodynamic characterisation of the biodiesel production process.
  • Calculation of thermodynamic and transport properties of new blends of refrigerants. 
  • Determination of the solubility of gases and contaminants in water.
  • Characterisation and improvement of industrial processes with supercritical fluids.



ResearcherID: F-3067-2012
ORCID: 0000-0001-7109-6810
Full List of publications: https://scholar.google.es/citations?user=p4nAmXEAAAAJ&hl=es

G. Alonso; P. Gamallo; R. Sayós; F. Llovell; Combining soft-SAFT and COSMO-RS modeling tools to assess the CO2–SO2 separation using phosphonium-based ionic liquids. Journal of Molecular Liquids (2019), 111795
L.M.C. Pereira, F. Llovell, L.F. Vega. Thermodynamic characterisation of aqueous alkanolamine and amine solutions for acid gas processing by transferable molecular models, Applied Energy 222 (2018) 687-703.
R.M. Ojeda, F. Llovell. Soft-SAFT Transferable Molecular Models for the Description of Gas Solubility in Eutectic Ammonium Salt-Based Solvents, J. Chem. Eng. Data, 63 (2018) 2599−2612.
G. Zarca, I. Ortiz, A. Urtiaga, F. Llovell, Accurate thermodynamic modeling of ionic liquids/metal salt mixtures: Application to carbon monoxide reactive absorption, AIChE J. 63 (2017) 3532–3543.
L.F. Vega, F. Llovell, Review and new insights into the application of molecular-based equations of state to water and aqueous solutions, Fluid Phase Equilibria, 416 (2016) 150-173.
Llovell, F.; Oliveira, M.B.; Coutinho, J. A. P.; Vega, L. F. Solubility of greenhouse and acid gases on the [C4mim] [MeSO4] ionic liquid for gas separation and CO2 conversion, Catalysis Today, 255 (2015) 87-96.

Llovell, F.;  Vega, L.F. Accurate modeling of supercritical CO2 for sustainable processes: water + CO2 and CO2 + fatty acid esters mixtures, J. Supercritical Fluids, 96 (2015) 86-95.

Oliveira, M.B.; Llovell, F.; Cruz, M.; Vega, L.F.; Coutinho. J. A. P. Phase equilibria description of biodiesels with water and alcohols for the optimal design of the production and purification process, Fuel, 129 (2014) 116–128.

Llovell, F.;Marcos R. M.; Vega. L.F.Free-Volume Theory Coupled with soft-SAFT for Viscosity Calculations: Comparison with Molecular Simulation and Experimental Data. J. Phys. Chem. B 117, (2013) 8159?8171.

Llovell, F.; Mac Dowell, N.; Blas, F.J; Galindo, A.; Jackson, G. Application of the SAFT-VR density functional theory to the prediction of the interfacial properties of mixtures of relevance to reservoir engineering. Fluid Phase Equilibria. 336 (2012) 137–150.

Vega, L.F.; Vilaseca, O.; Llovell, F.; Andreu.J. Modeling Ionic Liquids and the Solubility of Gases in them: recentadvances and perspectives. Fluid Phase Equilibria. 294 (2010) 15-30.


Associations and Networks

Member of the Xarxa de Referència Química Teórica i Computacional de Catalunya (XRQTC)
Member of the Compressed Fluids Spanish Network (FLUCOMP).
Member of the Molecular Simulation Spanish Network
Member of the EXIL network (Exchange on Ionic Liquids – COST Action) 



Engineering and simulation processes group