Skip Navigation
Chemical Engineering
Dr. Ioannis Economou

Dr. Ioannis Economou

Executive Associate Dean and Professor, Interim Program Chair

Office Number: 253J
Office Phone: +974.4423.0549

Email Google Scholar Profile

Dr. Economou's research focuses on the design, development, validation and application of state-of-the art models for the prediction of structure and physical properties of complex chemical systems that are of interest to oil & gas and chemical industry, to the protection of natural environment, and to the society, at large. Our models span a broad range of time and length scales, including:

  1. sub-molecular calculations using quantum mechanics techniques,
  2. molecular simulations using Molecular Dynamics and Metropolis Monte Carlo methods, and
  3. macroscopic engineering models such as equations of state rooted to Statistical Mechanics.

Development of new models and predictions generated from these models are validated against experimental data from the literature or measured in our partner's laboratories. For our simulations, we are using the state of the art high performance computing facilities of Texas A&M University at Qatar.

Research activities refer both to basic fundamental research as well as applied research. In all cases, the research projects in which we are involved are carefully selected with the aim to maximize our contribution to the international academic and industrial community. To this end, we collaborate with academic and industrial research groups in Europe and North America which are world leaders in their respective fields.

On-going research projects include:

Molecular Modeling and Simulation:

  • Thermodynamic and transport properties of water – carbon dioxide – salt systems,
  • Gas hydrate multi-phase equilibria,
  • Microscopic structure and physical properties of metal organic frameworks (MOFs) for gas separation,
  • Hydrocarbon fluids under confinement,
  • Ionic liquids in pure and in mixture with supercritical CO2 and other gases,
  • Sorption and diffusion of small molecules (CO, H2 and H2O) in heavy hydrocarbons, related to Gas-To-Liquid process for production of high value hydrocarbon fuels.

Molecular Thermodynamics and Equation of State Development with Emphasis to Carbon Capture and Sequestration:

  1. Equations of state for electrolyte mixtures,
  2. Novel algorithms for multicomponent multiphase equilibrium calculations including near critical conditions,
  3. Thermodynamic models for primary and derivative properties of CO2 mixtures,
  4. Equations of state for confined fluids.

Education

  • PhD in Chemical Engineering, The Johns Hopkins University, Baltimore, MD, USA. 1992     
  • Diploma of Chemical Engineering, National Technical University of Athens, Greece. 1987

Experience

2023 – Present, Executive Associate Dean, Texas A&M University at Qatar

2021 – 2023, Senior Associate Dean for Academic Affairs and Graduate Studies, Texas A&M University at Qatar 

2017 – 2021, Associate Dean for Academic Affairs, Texas A&M University at Qatar 

2013 – Present, Professor of Chemical Engineering, Texas A&M University at Qatar

2009 – 2012, Associate Provost for Graduate Studies and Professor of Chemical Engineering, The Petroleum Institute, Abu Dhabi, UAE

1995 – 2009, Researcher to Laboratory Director, Molecular Thermodynamics and Modelling of Materials Laboratory, National Center for Scientific Research “Demokritos”, Aghia Paraskevi, Greece

1994 – 1995, Post-doctoral fellow, Exxon Research & Engineering Company, Florham Park, New Jersey, USA

1993 – 1994, Post-doctoral fellow, Delft University of Technology, Delft, The Netherlands.

1992 – 1993, Military service, Greek Navy, Greece.

1988 – 1992, Research Assistant, The Johns Hopkins University, Baltimore, Maryland, USA.

Visiting faculty / research positions held at The American College of Greece (2007 – 2009), Open University of Greece (2002 – 2009), Technical University of Denmark (2001 and 2006 – 2007), Princeton University, USA (2004), University College London, UK (1994 – 1996).

Professional Service (selected with focus to the last decade)

  • Editor, Fluid Phase Equilibria, 2017 - .
  • Member of the Editorial Board, Journal of Chemical and Engineering Data, 2016 - ; Journal of Supercritical Fluids, 2017 - ; Chemical Engineering Research and Design, 2014 – 2016.
  • Guest Editor, Molecular Physics, Journal of Computational Science.
  • Member of the IChemE Medals and Prizes Committee, 2014 - .
  • Founding Chairman, Working Party on Thermodynamics and Transport Properties, European Federation of Chemical Engineering, 2007 – 2014. 41 members from 23 countries. 
  • Member of Research Advisory Council, University Teknologi Petronas, Malaysia, 2011 – 2013. 
  • Member of the Organizing and/or Scientific Committee for the series of conferences International Conference on Properties and Phase Equilibria for Product and Process Design (2004 - ), Thermodynamics (2011 - ).
  • External examiner for PhD thesis at the following institutions: National Technical University of Athens, Greece; Sorbonne Université, Paris, France; Imperial College London, UK; Friedrich-Alexander-Universität Erlangen-Nürnberg, Germany; Universidade do Porto, Portugal; University of Santiago de Compostela, Spain; University of Athens, Greece; Université Paris XIII (Paris-Nord), Villetaneuse, France; University of Ioannina, Greece; Université Paris-Sud XI, Orsay, France; Technical University of Denmark, Denmark ; Delft University of Technology, The Netherlands; Universitat Autònoma de Barcelona, Spain; Universitat Rovira I Virgili, Spain.

Honors

Fellow, American Institute of Chemical Engineers (AIChE) — 2021

Publications

Dr. Economou has published 235 peer-reviewed papers in international journals and has given more than 350 presentations in international conferences, universities and industry.  The complete list of publications can be found here: http://scholar.google.com/citations?user=EIcI9NwAAAAJ&hl=en

His recent publications (2021 – 2023) include:

210. A. AlYazidi, L.F.M. Franco, I.G. Economou and M. Castier, “Modeling Confined Fluids with the Multicomponent Potential Theory of Adsorption and the SAFT-VR Mie Equation of State”, Fluid Phase Equil., 534, 112941 (2021).

211.  K.D. Papavasileiou, L.D. Peristeras, A. Bick and I.G. Economou, “Molecular Dynamics Simulation of the n-Octacosane – Water Mixture Confined in Graphene Mesopores: Comparison of Atomistic and Coarse-Grained Calculations and the Effect of Catalyst Nanoparticle”, Energy & Fuels, 35(5), 4313 – 4332 (2021). Featured article in the cover page of the issue.

212.  G.M. Kontogeorgis, R. Dohrn, I.G. Economou, J.-C. de Hemptinne, A. ten Kate, S. Kuitunen, M. Mooijer, L.F. Žilnik and V. Vesovic, “Industrial Requirements for Thermodynamic and Transport Properties: 2020”, Ind. Eng. Chem. Res., 60(13), 4987 – 5013 (2021). ACS Editors’ Choice.

213.  N. Novak, G.M. Kontogeorgis, M. Castier and I.G. Economou, “Water – Hydrocarbon Phase Equilibria with SAFT-VR Mie Equation of State”, Ind. Eng. Chem. Res., 60(14), 5278 – 5299 (2021). Featured article in the cover page of the issue. 

214.  F. Hillman, M.R.A. Hamid, P. Krokidas, S. Moncho, E.N. Brothers, I.G. Economou and H.-K. Jeong, “Delayed Linker Addition (DLA) Synthesis for Hybrid SOD ZIFs with Unsubstituted Imidazolate Linkers for Propylene/Propane and n-Butane/i-Butane Separations”, Angew. Chem. Int. Ed., 60(11), 10191 – 10199 (2021).

215.  I.K. Nikolaidis, R. Privat, J.-N. Jaubert and I.G. Economou, “Assessment of the PC-SAFT EoS Against a Benchmark Database of High-Quality Binary-System Data”, Ind. Eng. Chem. Res., 60(24), 8935 – 8946 (2021). Featured article in the cover page of the issue. 

216.  S. Ravipati, M.S. Santos, I.G. Economou, A. Galindo, G. Jackson and A.J. Haslam, “Monte Carlo Molecular Simulation Study of Carbon Dioxide Sequestration into Dry and Wet Calcite Pores Containing Methane”, Energy & Fuels, 35(14), 11393 – 11402 (2021).

217.  N. Novak, G.M. Kontogeorgis, M. Castier and I.G. Economou, “Modeling of Gas Solubility in Aqueous Electrolyte Solutions with SAFT-VR Mie Equation of State”, Ind. Eng. Chem. Res., 60(42), 15327 – 15342 (2021). Featured article in the cover page of the issue.  

218.  A. Piña-Martinez, R. Privat, I.K. Nikolaidis, I.G. Economou and J.-N. Jaubert, “What is the Optimal Activity Coefficient Model to be Combined with the Translated-Consistent Peng-Robinson Equation of State Through Advanced Mixing Rules? Cross-Comparison and Grading of the Wilson, UNIQUAC and NRTL aE Models Against a Benchmark Database Involving 200 Binary Systems”, Ind. Eng. Chem. Res., 60(47), 17228 – 17442 (2021).

219.  L. Ding, S. Jouenne, O. Gharbi, M. Pal, H. Bertin, M.A. Rahman, I.G. Economou, C. Romero and D. Guérillot, “An Experimental Investigation of the Foam Enhanced Oil Recovery Process for a Dual Porosity and Heterogeneous Carbonate Reservoir Under Strongly Oil-Wet Condition”, Fuel, 313, 122684 (2022).

220.  I.K. Nikolaidis, N. Novak, G.M. Kontogeorgis and I.G. Economou, “Rigorous Phase Equilibrium Calculation Methods for Strong Electrolyte Solutions: The Isothermal Flash”, Fluid Phase Equil., 558, 113441 (2022).

221.  C.A. Gatsiou, A. Bick, X. Krokidis and I.G. Economou, “Atomistic and Coarse-Grained Simulations of Bulk Amorphous Amylose Above and Below the Glass Transition”, Macromolecules, 55(20), 2999 – 3010 (2022).

222.  M.B.M. Spera, F.N. Braga, R.A.C. Bartolomeu*, I.G. Economou and L.F.M. Franco, “Diffusion of Fluids Confined in Carbonate Minerals: A Molecular Dynamics Simulation Study for Carbon Dioxide and Methane – Ethane Mixture within Calcite”, Fuel, 325, 124800 (2022). 

223.  P. Krokidas, S. Karozis, S. Moncho, G. Giannakopoulos, E.N. Brothers, M.E. Kainourgiakis, I.G. Economou and T.A. Steriotis, “Data Mining for Predicting Gas Diffusivity in Zeolitic-Imidazolate Frameworks (ZIFs)”, J. Mater. Chem. A, 10(26), 13697 – 13703 (2022).

224.  M. Simões Santos, M. Hamza, L.F.M. Franco, M. Castier and I.G. Economou, “Molecular Understanding of Enhanced Hydrocarbon Recovery Processes: Role of Local Self-Diffusion Coefficients of Complex Mixtures”, Energy & Fuels, 36(15), 8301 - 8310 (2022).

225.  K.D. Papavasileiou, L.D. Peristeras, G.C. Boulougouris and I.G. Economou, “Coarse-Grained Molecular Dynamics Simulation of Cobalt Nanoparticle in the n-Octacosane – Water Mixture: The Effect of Water Concentration and Nanoparticle Size”, J. Phys. Chem. C, 126(32), 13975 – 13985 (2022).

226.  J.-C. de Hemptinne, G.M. Kontogeorgis, R. Dohrn, I.G. Economou, A. ten Kate, S. Kuitunen, L. Fele Žilnik, M.G. De Angelis and V. Vesovic, “A View on the Future of Applied Thermodynamics”, Ind. Eng. Chem. Res., 61(39), 14664 – 14680 (2022).

227.  V.K. Michalis, I.G. Economou, A.K. Stubos and I.N. Tsimpanogiannis, “Phase Equilibria Molecular Simulations of Hydrogen Hydrates via the Direct Phase Coexistence Approach”, J. Chem. Phys., 157(15), 154501 (2022).

228.  S. Kournopoulos, M. Simões Santos, S. Ravipati, A.J. Haslam, G. Jackson, I.G. Economou and A. Galindo, “The Free Energy of the Coulombic and Born Interactions in Electrolyte Solutions”, J. Phys. Chem. B, 126(47), 9821 – 9839 (2022).

229.  N. Novak, G.M. Kontogeorgis, M. Castier and I.G. Economou, “Extension of the eSAFT-VR Mie Equation of State from Aqueous to non-Aqueous Electrolyte Solutions”, Fluid Phase Equil., 565, 113618 (2023).    

230.  P. Krokidas, M.B.M. Spera, L.G. Boutsika, I. Bratsos, G. Charalambopoulou, I.G. Economou and T. Steriotis, “Nanoengineered ZIF Fillers for Mixed Matrix Membranes with Enhanced CO2 / CH4 Selectivity”, Sep. Purif. Technol., 307, 122737 (2023).

231.  L. Ding, Q. Wu, L. Zhang, J. Ge, M.A. Rahman, I.G. Economou and D. Guérillot, “Polymer Enhanced Foam for Improving Oil Recovery in Oil-Wet Carbonate Reservoirs:  A Proof of Concept and Insights into the Polymer-Surfactant Interactions”, Energy, 264, 126256 (2023). 

232.  A.D. Cortés Morales, N. Diamantonis, I.G. Economou, C.J. Peters and J.I. Siepmann, “Molecular Modeling of Double Retrograde Vaporization using Monte Carlo Simulations and Equations of State”, J. Phys. Chem. B, 127(16), 3672 – 3681 (2023).

233.  N. Dawass, M. Vasileiadis, L.D. Peristeras, K.D. Papavasileiou and I.G. Economou, “Prediction of Adsorption and Diffusion of Shale Gas in Composite Pores Consisting of Kaolinite and Kerogen using Molecular Simulation”, J. Phys. Chem. C, 127(20), 9452 – 9462 (2023).

234.  N. Novak, G.M. Kontogeorgis, M. Castier and I.G. Economou, “Mixed Solvent Electrolyte Solutions: A Review and Calculations with eSAFT-VR Mie EoS”, Ind. Eng. Chem. Res., 62(34), 13646 – 13665 (2023).

235.  N. Novak, G.M. Kontogeorgis, M. Castier and I.G. Economou, “Theoretical Considerations on Single and Mixed Solvent Electrolyte Solutions”, Fluid Phase Equil., 576, 113924 (2023).