DEPARTMENT OF CHEMICAL ENGINEERING


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Faculty

Dr. Ioannis G. Economou
Associate Provost for Graduate Studies & Professor of Chemical Engineering

Habshan Building, room 5333A
Sas Al Nakhl Campus
Office: +971 2 607 5884
Email ieconomou@pi.ac.ae

  

EDUCATION

PhD Chemical Engineering, The Johns Hopkins University, Baltimore, Maryland, USA (1992)
Diploma Chemical Engineering, National  Technical University of Athens, Greece (1987)

PROFILE

Dr. Ioannis G. Economou joined PI in September 2009 as the Associate Provost for Graduate Studies and Professor of Chemical Engineering.  His previous employment was with the National Center for Scientific Research “Demokritos” in Athens, Greece where he was the Director of the Molecular Thermodynamics and Modeling of Materials Laboratory.  He held post-doctoral positions at Delft University of Technology in The Netherlands (1993 – 94) and at Exxon Research & Engineering Company, in USA (1994 – 95). He has been a Research Fellow at the University College, London, UK (1994 – 96) and at Princeton University, USA (2004), a Visiting Professor at the Technical University of Denmark (2001, 2006 – 08), at the American College of Greece, Graduate School (2006 – 09), and an Adjunct Professor at the Open University of Greece (2002 – 09).

He has consulted extensively for major oil and chemical companies. He has supervised 10 Ph.D. theses, 5 post-docs and numerous M.Sc. students.  He has published more than 100 research articles in leading journals in Chemical Engineering, Physical Chemistry and Polymer Science. He has given more than 50 invited lectures in academic and industrial institutions and more than 140 conference presentations in Europe, North America and Asia.  He is the Chairman of the Working Party on Thermodynamics and Transport Properties of the European Federation of Chemical Engineering.

SELECTED MAJOR RESEARCH PROJECTS COORDINATED (2005 – 2010)

  1. “Development of New Molecular Simulation Methods and Macroscopic Models for the Calculation of Microscopic Structure and of Thermodynamic Properties of Complex Polymer Systems”. Duration: 2005 – 2009.
  2. “Development of Sustainable Industrial Processes: Experimental, Theoretical and Computational Investigation of Thermodynamic Properties and Phase Equilibria of Ionic Liquid Mixtures”. Duration: 2006 – 2009.   
  3. “Investigation of Structure, Thermodynamic and Transport Properties of Poly(styrene-co-acrylonitrile) in High Temperatures”. Duration: 2006 – 2008.
  4. “Implementation of SAFT / PC-SAFT Computer Codes for Polymer and Non-Polymer Systems into MAPS”. Duration: 2008 – 2010.
  5. “Molecular Simulation of Diffusion of Hydrogen, Carbon Monoxide and Water in Heavy n-Alkanes at High Temperatures and Pressures”. Duration: 2008 – 2010.   

RECENT PUBLICATIONS (2008 – 2010)

  1. Z. Kechagia, C. Kiparissides and I.G. Economou, “Determination of Liquid – Gas Partition Coefficients of BuA and MMA by Headspace-Gas Chromatography Utilizing the Phase Ratio Variation Method”, Fluid Phase Equil., 266, 21 – 30 (2008).
  2. I.G. Economou, E.K. Karakatsani, G.-E. Logotheti, J. Ramos and A. Vanin, “Multi-scale Modeling of Structure, Dynamic and Thermodynamic Properties of Imidazolium-Based Ionic Liquids: Ab initio DFT Calculations, Molecular Simulation and Equation of State Predictions”, Oil & Gas Sci. Tech., 63(3), 283 – 293 (2008).
  3. A. Grenner, I. Tsivintzelis, G.M. Kontogeorgis, I.G. Economou and C. Panayiotou, “Evaluation of the Non-Random Hydrogen Bonding (NRHB) Theory and the simplified Perturbed Chain-Statistical Associating Fluid Theory (sPC-SAFT). I. Vapor – Liquid Equilibria”, Ind. Eng. Chem. Res., 47(15), 5636 – 5650 (2008). 
  4. I. Tsivintzelis, A. Grenner, I.G. Economou and G.M. Kontogeorgis, “Evaluation of the Non-Random Hydrogen Bonding (NRHB) Theory and the simplified Perturbed Chain-Statistical Associating Fluid Theory (sPC-SAFT). II. Liquid – Liquid Equilibria and Prediction of Monomer Fraction in Hydrogen Bonding Systems”, Ind. Eng. Chem. Res., 47(15), 5651 – 5659 (2008).
  5. Z.A. Makrodimitri and I.G. Economou, “Atomistic Simulation of Poly(dimethysiloxane) Permeability Properties to Gases and n-Alkanes”, Macromolecules, 41(15), 5899 – 5907 (2008). 
  6. G. Tsolou, V.G. Mavrantzas, Z.A. Makrodimitri, I.G. Economou and R. Gani, “Atomistic Simulation of the Sorption of Small Gas Molecules in Polyisobutylene”, Macromolecules, 41(16), 6228 – 6238 (2008).
  7. E.K. Karakatsani, I.G. Economou, M.C. Kroon, M.D. Bermejo, C.J. Peters and G.-J. Witkamp, “Equation of State Modeling of the Phase Equilibria of Ionic Liquid Mixtures at Low and High Pressure”, Phys. Chem. Chem. Phys., 10(40), 6160 – 6168 (2008).
  8. I. Tsivintzelis, I.G. Economou and G.M. Kontogeorgis, “Modeling the Solid – Liquid Equilibrium in Pharmaceutical – Solvent Mixtures: Systems with Complex Hydrogen Bonding Behavior”, AIChE J., 55(3) 756 – 770 (2009).
  9. I. Tsivintzelis, I.G. Economou and G.M. Kontogeorgis, “Modeling the Phase Behavior in Mixtures of Pharmaceuticals with Liquid or Supercritical Solvents”, J. Phys. Chem. B, 113(18), 6446 – 6458 (2009).
  10. G.E. Logotheti, J. Ramos, I.G. Economou, “Molecular Modeling of Imidazolium-Based [Tf2N-] Ionic Liquids: Microscopic Structure, Thermodynamic and Dynamic Properties and Segmental Dynamics”, J. Phys. Chem. B, 113(20), 7211 – 7224 (2009).
  11. M. Yiannourakou, I.G. Economou and I.A. Bitsanis, “Phase Equilibrium of Colloidal Suspensions with Particle Size Dispersity: A Monte Carlo Study”, J. Chem. Phys., 130(19), 194902-1 – 194902-10 (2009). 
  12. N.M. Garrido, A.J. Queimada, M. Jorge, E.A. Macedo and I.G. Economou, “1-Octanol / Water Partition Coefficients of n-Alkanes from Molecular Simulations of Absolute Solvation Free Energies”, J. Chem. Theory Comput., 5(9), 2436 – 2446 (2009).
  13. N.M. Garrido, M. Jorge, A.J. Queimada, I.G. Economou and E.A. Macedo, “Molecular Simulation of the Hydration Gibbs Energy of Barbiturates”, Fluid Phase Equil., 289, 148 – 155 (2010). 
  14. P. Ahlström, K. Aim, R. Dohrn, J.R. Elliott, G. Jackson, J.-N. Jaubert, E.A. Macedo, J.-P. Pokki, K. Reczey, A. Victorov, L. Fele �ilnik, and I.G. Economou, “A Survey of the Role of Thermodynamics and Transport Properties in ChE University Education in Europe and the USA”, Chem. Eng. Ed., 44(1), 35 – 43 (2010).  
  15. M. Jorge, N.M. Garrido, A.J. Queimada, I.G. Economou and E.A. Macedo, “Effect of the Integration Method on the Accuracy and Computational Efficiency of Free Energy Calculations Using Thermodynamic Integration”, J. Chem. Theory Comput., 6(4), 1018 – 1027 (2010).
  16. E. Androulaki, S. Lambropoulou, I.G. Economou and J.H. Przytycki, “Inductive Construction of 2-Connected Graphs for Calculating the Virial Coefficients”, J. Phys. A: Math. Theor., 43(31), 315004, 1 - 20 (2010).
  17. N.M. Garrido, M. Jorge, A.J. Queimada, I.G. Economou and E.A. Macedo, “Molecular Simulation of Absolute Hydration Gibbs Energies of Polar Compounds”, Fluid Phase Equil., 296, 110 – 115 (2010).
  18. I.G. Economou, N.M. Garrido and Z.A Makrodimitri, “Prediction of Microscopic Structure and Physical Properties of Complex Fluid Mixtures Based on Molecular Simulation”, Fluid Phase Equil., 296, 125 – 132 (2010).
  19. G.M. Kontogeorgis, I. Tsivintzelis, N. von Solms, A. Grenner, D. Bøgh, M. Frost, A. Knage-Rasmussen and I.G. Economou, “Use of Monomer Fraction Data in the Parametrization of Association Theories”, Fluid Phase Equil., 296, 219 – 229 (2010).
  20. T. Spyriouni, X. Krokidis and I.G. Economou, “Thermodynamics of Pharmaceuticals: Prediction of Solubility in Pure and Mixed Solvents with PC-SAFT”, Fluid Phase Equil., in press, September 2010.
  21. G.P. Lithoxoos, A. Labropoulos, L. Peristeras, N. Kanellopoulos, J. Samios and I.G. Economou, “Absorption of N2, CH4, CO and CO2 Gas in Single Walled Carbon Nanotubes. A Combined Experimental and Monte Carlo Molecular Simulation Study”, J. Supercrit. Fluids, in press, September 2010.
  22. E. Hendriks, G.M. Kontogeorgis, R. Dohrn, J.-C. de Hemptinne, I.G. Economou, L. Fele �ilnik and V. Vesovic, “Industrial Requirements for Thermodynamics and Transport Properties”, Ind. Eng. Chem. Res., in press, October 2010.
  23. M. Yiannourakou, I.G. Economou and I.A. Bitsanis, “Structural and Dynamical Analysis of Monodisperse and Polydisperse Colloidal Systems”, J. Chem. Phys., in press, October 2010.
  24. G.M. Kontogeorgis and I.G. Economou, “Equations of State: From van der Waals to Association Theories”, J. Supercrit. Fluids, in press, October 2010..
  25. Z.A. Makrodimitri and I.G. Economou, “Diffusion of Gas Molecules in Heavy Hydrocarbons”, J. Phys. Chem. B, in press, October 2010..
  26. S. Karanikas and I.G. Economou, “Molecular Simulation of Structure, Thermodynamic and Transport Properties of Polyacrylonitrile, Polystyrene and Their Alternating Copolymers in High Temperatures”, Eur. Pol. J., in press, October 2010..
  27. R. Lundsgaard, G.M. Kontogeorgis and I.G. Economou, “Partition Coefficients of Organic Molecules in Low Density Poly Ethylene and Water / Ethanol Systems by Molecular Dynamics”, Fluid Phase Equil., in press, October 2010..
  28. G.C. Boulougouris, L. Peristeras, I.G. Economou and D.N. Theodorou, “Predicting Fluid Phase Equilibrium via Histogram Reweighting with Gibbs Ensemble Monte Carlo Simulation”, J. Supercrit. Fluids, in press, October 2010..
  29. N.M. Garrido, M. Jorge, A.J. Queimada, J.R.B. Gomes, I.G. Economou and E.A. Macedo, “Predicting Solvation Energies of Alkyl-aromatics Using Molecular Simulation and Thermodynamic Integration, J. Phys. Chem. B, in press, October 2010..  
RECENT INVITED TALKS (2008 – 2010)
  1. I.G. Economou, “Molecular Design of Rubbery Polymers for Membrane Applications”, International Workshop on Molecular Modeling and Simulation in Applied Material Science, Frankfurt am Main, Germany, March 2008.
  2. I.G. Economou, “Multi-Scale Modeling of Structure, Dynamic and Thermodynamic Properties of Ionic Liquids: Ab initio DFT Calculations, Molecular Simulation and Equation of State Predictions“, 11th European Meeting on Supercritical Fluids, Barcelona, Spain, May 2008. 
  3. I.G. Economou, “Molecular Simulation of Rubbery Polymer Membranes”, 23hd European Symposium on Applied Thermodynamics, Cannes, France, June 2008.
  4. “Energy, Environment and Business: A Global Challenge”, School of Business, Bifröst University, Iceland, July 2008.
  5. “Molecular Simulation Prediction of Physical Properties of Complex Fluids”, Shell Global Solutions International BV, Amsterdam, The Netherlands, October 2008.
  6. “From Computational Chemistry to the Design of Advanced Materials and Chemical Processes”, Department of Chemistry, University of Athens, Greece, January 2009.
  7. “Calculation of Physical Properties for Chemical Product and Process Design from Molecular Simulation and Theory”, Department of Chemical Engineering, United Arab Emirates University, Al Ain, United Arab Emirates, February 2009.
  8. “The Role of Molecular Simulation and Molecular Thermodynamics for Novel Process Design”, The Petroleum Institute, Abu Dhabi, United Arab Emirates, June 2009.
  9. “Molecular Simulation of Macromolecular Systems: From Microscopic Structure to Macroscopic Physical Properties”, Department of Macromolecular Physics, Instituto de Estructura de la Materia, Consejo Superior de Investigaciones Cientificas, Spain, July 2009.

 
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