HR job title
- Professor
- Contact Info
- ORCiD
- 0000-0002-2409-6831
Economou, Ioannis Senior Associate Dean for Academic Affairs and Graduate Studies, Texas A&M at Qatar
Positions
- Faculty Affiliate, Energy Institute, Texas A&M Engineering Experiment Station (TEES)
- Associate Dean, Chemical Engineering (Qatar), Texas A&M University at Qatar
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.
- Overview
- Publications
- Research
- Teaching
- Works By Students
- Background
- Contact
- Other
- View All
Overview
Publications
selected publications
-
academic article
-
Mohamed, A., Economou, I. G., & Jeong, H.
(2024).
Coarse-grained force field for ZIF-8: A study on adsorption, diffusion, and structural properties. Journal of Chemical Physics.
160(20), 204706.
-
Marzouk, A., Papavasileiou, K. D., Peristeras, L. D., Bezemer, L., van Bavel, A. P., Shenai, P. M., & Economou, I. G.
(2024).
A systematic DFT study of structure and electronic properties of titanium dioxide. Journal of Computational Chemistry.
-
Hua, Y., Mohamed, A., Choi, G. M., Cho, K. Y., Economou, I. G., & Jeong, H.
(2024).
Unexpectedly High Propylene/Propane Separation Performance of Asymmetric Mixed-Matrix Membranes through Additive-Assisted In Situ ZIF-8 Filler Formation: Experimental and Computational Studies. ACS Applied Materials & Interfaces.
-
Dawass, N., Vasileiadis, M., Peristeras, L. D., Papavasileiou, K. D., & Economou, I. G.
(2023).
Prediction of Adsorption and Diffusion of Shale Gas in Composite Pores Consisting of Kaolinite and Kerogen using Molecular Simulation. Journal of Physical Chemistry C.
127(20), 9452-9462.
-
Corts Morales, A. D., Diamantonis, N., Economou, I. G., Peters, C. J., & Siepmann, J. I.
(2023).
Molecular Modeling of Double Retrograde Vaporization Using Monte Carlo Simulations and Equations of State. Journal of Physical Chemistry B.
127(16), 3672-3681.
-
Maginn, E. J., Economou, I. G., Snurr, R. Q., & Chakraborty, A. K.
(2023).
Tribute to Doros N. Theodorou. Journal of Physical Chemistry B.
127(12), 2639-2642.
-
Novak, N., Kontogeorgis, G. M., Castier, M., & Economou, I. G.
(2023).
Extension of the eSAFT-VR Mie equation of state from aqueous to non-aqueous electrolyte solutions. Fluid Phase Equilibria.
565, 113618-113618.
-
Krokidas, P., Spera, M., Boutsika, L. G., Bratsos, I., Charalambopoulou, G., Economou, I. G., & Steriotis, T.
(2023).
Nanoengineered ZIF fillers for mixed matrix membranes with enhanced CO2/CH4 selectivity. Separation and Purification Technology.
307, 122737-122737.
-
Wu, Q., Ding, L., Zhang, L., Ge, J., Rahman, M. A., Guerillot, D., & Economou, I. G.
(2023).
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, 126256-126256.
-
Novak, N., Kontogeorgis, G. M., Castier, M., & Economou, I. G.
(2023).
Mixed Solvent Electrolyte Solutions: A Review and Calculations with the eSAFT-VR Mie Equation of State. Industrial & Engineering Chemistry Research.
-
Nikolaidis, I. K., Privat, R., Jaubert, J., & Economou, I. G.
(2023).
The Effect of Binary Interaction Parameters and Induced Association on the Performance of the PC-SAFT Equation of State: Validation against a Benchmark Database of High-Quality Binary-System Data. Journal of Chemical and Engineering Data.
-
Kournopoulos, S., Santos, M. S., Ravipati, S., Haslam, A. J., Jackson, G., Economou, I. G., & Galindo, A.
(2022).
The Contribution of the Ion-Ion and Ion-Solvent Interactions in a Molecular Thermodynamic Treatment of Electrolyte Solutions. Journal of Physical Chemistry B.
126(47), 9821-9839.
-
De Hemptinne, J., Kontogeorgis, G. M., Dohrn, R., Economou, I. G., ten Kate, A., Kuitunen, S., ... Vesovic, V.
(2022).
A View on the Future of Applied Thermodynamics. Industrial & Engineering Chemistry Research.
61(39), 14664-14680.
-
Spera, M., Braga, F. N., Bartolomeu, R., Economou, I. G., & Franco, L.
(2022).
Diffusion of fluids confined in carbonate minerals: A molecular dynamics simulation study for carbon dioxide and methane-ethane mixture within calcite. Fuel.
325, 124800-124800.
-
Michalis, V. K., Economou, I. G., Stubos, A. K., & Tsimpanogiannis, I. N.
(2022).
Phase equilibria molecular simulations of hydrogen hydrates via the direct phase coexistence approach. Journal of Chemical Physics.
157(15), 154501-154501.
-
Santos, M. S., Hamza, M., Franco, L., Castier, M., & Economou, I. G.
(2022).
Molecular Understanding of Enhanced Hydrocarbon Recovery Processes: Role of Local Self-Diffusion Coefficients of Complex Mixtures. Energy and Fuels.
36(15), 8301-8310.
-
Papavasileiou, K. D., Peristeras, L. D., Boulougouris, G. C., & Economou, I. G.
(2022).
Coarse-Grained Molecular Dynamics Simulation of Cobalt Nanoparticle in the n-Octacosane-Water Mixture: The Effect of Water Concentration and Nanoparticle Size. Journal of Physical Chemistry C.
126(32), 13975-13985.
-
Nikolaidis, I. K., Novak, N., Kontogeorgis, G. M., & Economou, I. G.
(2022).
Rigorous Phase Equilibrium Calculation Methods for Strong Electrolyte Solutions: The Isothermal Flash. Fluid Phase Equilibria.
558, 113441-113441.
-
Ding, L., Jouenne, S., Gharbi, O., Pal, M., Bertin, H., Rahman, M. A., ... Guerillot, D.
(2022).
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, 122684-122684.
-
Gatsiou, C. A., Bick, A., Krokidis, X., & Economou, I. G.
(2022).
Atomistic and Coarse-Grained Simulations of Bulk Amorphous Amylose Above and Below the Glass Transition. MACROMOLECULES.
55(8), 2999-3010.
-
Krokidas, P., Karozis, S., Moncho, S., Giannakopoulos, G., Brothers, E. N., Kainourgiakis, M. E., Economou, I. G., & Steriotis, T. A.
(2022).
Data mining for predicting gas diffusivity in zeolitic-imidazolate frameworks (ZIFs). Journal of Materials Chemistry A.
10(26), 13697-13703.
-
Iwai, Y., Cabe, C. M., Soto, A., Kontogeorgis, G., & Economou, I.
(2021).
Editorial. Fluid Phase Equilibria.
549, 113223-113223.
-
Pina-Martinez, A., Privat, R., Nikolaidis, I. K., Economou, I. G., & Jaubert, J.
(2021).
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 a(E) Models against a Benchmark Database Involving 200 Binary Systems. Industrial & Engineering Chemistry Research.
60(47), 17228-17247.
-
Novak, N., Kontogeorgis, G. M., Castier, M., & Economou, I. G.
(2021).
Modeling of Gas Solubility in Aqueous Electrolyte Solutions with the eSAFT-VR Mie Equation of State. Industrial & Engineering Chemistry Research.
60(42), 15327-15342.
-
Ravipati, S., Santos, M. S., Economou, I. G., Galindo, A., Jackson, G., & Haslam, A. J.
(2021).
Monte Carlo Molecular Simulation Study of Carbon Dioxide Sequestration into Dry and Wet Calcite Pores Containing Methane. Energy and Fuels.
35(14), 11393-11402.
-
Nikolaidis, I. K., Privat, R., Jaubert, J., & Economou, I. G.
(2021).
Assessment of the Perturbed Chain-Statistical Associating Fluid Theory Equation of State against a Benchmark Database of High-Quality Binary-System Data. Industrial & Engineering Chemistry Research.
60(24), 8935-8946.
-
Hillman, F., Hamid, M., Krokidas, P., Moncho, S., Brothers, E. N., Economou, I. G., & Jeong, H.
(2021).
Delayed Linker Addition (DLA) Synthesis for Hybrid SOD ZIFs with Unsubstituted Imidazolate Linkers for Propylene/Propane and nButane/iButane Separations. Angewandte Chemie.
133(18), 10191-10199.
-
Novak, N., Kontogeorgis, G. M., Castier, M., & Economou, I. G.
(2021).
Water-Hydrocarbon Phase Equilibria with SAFT-VR Mie Equation of State. Industrial & Engineering Chemistry Research.
60(14), 5278-5299.
-
AlYazidi, A., Franco, L., Economou, I. G., & Castier, M.
(2021).
Modeling confined fluids with the multicomponent potential theory of adsorption and the SAFT-VR Mie equation of state. 534, 112941-112941.
-
Hillman, F., Hamid, M., Krokidas, P., Moncho, S., Brothers, E. N., Economou, I. G., & Jeong, H.
(2021).
Delayed Linker Addition (DLA) Synthesis for Hybrid SOD ZIFs withUnsubstituted Imidazolate Linkers for Propylene/Propane and n-Butane/i-Butane Separations. Angewandte Chemie International Edition.
60(18), 10103-10111.
-
Kontogeorgis, G. M., Dohrn, R., Economou, I. G., de Hemptinne, J., Ten Kate, A., Kuitunen, S., ... Vesovic, V.
(2021).
Industrial Requirements for Thermodynamic and Transport Properties: 2020. Industrial & Engineering Chemistry Research.
60(13), 4987-5013.
-
Papavasileiou, K. D., Peristeras, L. D., Bick, A., & Economou, I. G.
(2021).
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 and Fuels.
35(5), 4313-4332.
-
Papavasileiou, K. D., Peristeras, L. D., Chen, J., van der Laan, G. P., Rudra, I., Kalantar, A., & Economou, I. G.
(2020).
Molecular dynamics simulation of the n-octacosane-water mixture confined in hydrophilic and hydrophobic mesopores: The effect of oxygenates. Fluid Phase Equilibria.
526, 112816-112816.
-
Antonakos-Tsonopoulos, N., Tsonopoulos, A., Tsonopoulos, O., Tsonopoulos, H., Stewart, A., & Economou, I. G.
(2020).
Editorial for Costa Tsonopoulos virtual special issue. 522, 112746-112746.
-
Kerscher, M., Klein, T., Schulz, P. S., Veroutis, E., Duerr, S., Preuster, P., ... Froeba, A. P.
(2020).
Thermophysical properties of diphenylmethane and dicyclohexylmethane as a reference liquid organic hydrogen carrier system from experiments and molecular simulations. 45(53), 28903-28919.
-
Jaubert, J., Le Guennec, Y., Pina-Martinez, A., Ramirez-Velez, N., Lasala, S., Schmid, B., ... Privat, R.
(2020).
Benchmark Database Containing Binary-System-High-Quality-Certified Data for Cross-Comparing Thermodynamic Models and Assessing Their Accuracy. Industrial & Engineering Chemistry Research.
59(33), 14981-15027.
-
Mohamed, A., Krokidas, P., & Economou, I. G.
(2020).
Encapsulation of [bmim(+)][Tf2N-] in different ZIF-8 metal analogues and evaluation of their CO(2)selectivity over CH(4)and N(2)using molecular simulation. Molecular Systems Design && Engineering.
5(7), 1230-1238.
-
Tsimpanogiannis, I. N., Michalis, V. K., & Economou, I. G.
(2020).
Novel methodology for the calculation of the enthalpy of enclathration of methane hydrates using molecular dynamics simulations. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
118(9-10), e1711976-e1711976.
-
Tsimpanogiannis, I. N., Jamali, S. H., Economou, I. G., Vlugt, T., & Moultos, O. A.
(2020).
On the validity of the Stokes-Einstein relation for various water force fields. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
118(9-10), e1702729-e1702729.
-
Klein, T., Lenahan, F. D., Kerscher, M., Rausch, M. H., Economou, I. G., Koller, T. M., & Frba, A. P.
(2020).
Characterization of Long Linear and Branched Alkanes and Alcohols for Temperatures up to 573.15 K by Surface Light Scattering and Molecular Dynamics Simulations. Journal of Physical Chemistry B.
124(20), 4146-4163.
-
Krokidas, P., Moncho, S., Brothers, E. N., & Economou, I. G.
(2020).
Defining New Limits in Gas Separations Using Modified ZIF Systems. ACS Applied Materials & Interfaces.
12(18), 20536-20547.
-
Dawass, N., Krger, P., Schnell, S. K., Moultos, O. A., Economou, I. G., Vlugt, T., & Simon, J.
(2020).
Kirkwood-Buff Integrals Using Molecular Simulation: Estimation of Surface Effects. Nanomaterials.
10(4), 771-771.
-
Tsimpanogiannis, I. N., Economou, I. G., & Stubos, A. K.
(2020).
A Practical Methodology to Estimate the H-2 Storage Capacity of Pure and Binary Hydrates Based on Monte Carlo Simulations. Journal of Chemical and Engineering Data.
65(3), 1289-1299.
-
Nikolaidis, I. K., Boulougouris, G. C., Peristeras, L. D., & Economou, I. G.
(2020).
Construction of phase envelopes for binary and multicomponent mixtures with Euler-Newton predictor-corrector methods. Fluid Phase Equilibria.
505, 112338-112338.
-
Mohamed, A., Moncho, S., Krokidas, P., Kakosimos, K., Brothers, E. N., & Economou, I. G.
(2019).
Computational investigation of the performance of ZIF-8 with encapsulated ionic liquids towards CO2 capture*. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
117(23-24), 3791-3805.
-
Apostolopoulou, M., Santos, M. S., Hamza, M., Bui, T., Economou, I. G., Stamatakis, M., & Striolo, A.
(2019).
Quantifying Pore Width Effects on Diffusivity via a Novel 3D Stochastic Approach with Input from Atomistic Molecular Dynamics Simulations. Journal of Chemical Theory and Computation.
15(12), 6907-6922.
-
Nikolaidis, I. K., Boulougouris, G. C., Peristeras, L. D., & Economou, I. G.
(2019).
Efficient and robust methods for direct saturation point calculations. Fluid Phase Equilibria.
500, 112242-112242.
-
Kastanidis, P., Tsimpanogiannis, I. N., Romanos, I. E., Stubos, A. K., & Economou, I. G.
(2019).
Recent Advances in Experimental Measurements of Mixed-Gas Three-Phase Hydrate Equilibria for Gas Mixture Separation and Energy-Related Applications. Journal of Chemical and Engineering Data.
64(12), 4991-5016.
-
Potoff, J., & Economou, I.
(2019).
Molecular simulation. Fluid Phase Equilibria.
498, 160-160.
-
Papavasileiou, K. D., Peristeras, L. D., Bick, A., & Economou, I. G.
(2019).
Molecular Dynamics Simulation of Pure n-Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields. Journal of Physical Chemistry B.
123(29), 6229-6243.
-
Tsimpanogiannis, I. N., Michalis, V. K., & Economou, I. G.
(2019).
Enthalpy of dissociation of methane hydrates at a wide pressure and temperature range. Fluid Phase Equilibria.
489, 30-40.
-
Santos, M. S., Castier, M., & Economou, I. G.
(2019).
Molecular dynamics simulation of electrolyte solutions confined by calcite mesopores. Fluid Phase Equilibria.
487, 24-32.
-
Tsimpanogiannis, I. N., Moultos, O. A., Franco, L., Spera, M., Erdos, M., & Economou, I. G.
(2019).
Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies. Molecular Simulation.
45(4-5), 425-453.
-
Nikolaidis, I. K., Poursaeidesfahani, A., Csaszar, Z., Ramdin, M., Vlugt, T., Economou, I. G., & Moultos, O. A.
(2019).
Modeling the phase equilibria of asymmetric hydrocarbon mixtures using molecular simulation and equations of state. AIChE Journal.
65(2), 792-803.
-
Rahbari, A., Hens, R., Nikolaidis, I. K., Poursaeidesfahani, A., Ramdin, M., Economou, I. G., ... Vlugt, T.
(2018).
Computation of partial molar properties using continuous fractional component Monte Carlo. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
116(21-22), 3331-3344.
-
Papadimitriou, N. I., Tsimpanogiannis, I. N., Economou, I. G., & Stubos, A. K.
(2018).
Monte Carlo simulations of the separation of a binary gas mixture (CH4 + CO2) using hydrates. Physical Chemistry Chemical Physics.
20(44), 28026-28038.
-
Krokidas, P., Moncho, S., Brothers, E. N., Castier, M., Jeong, H., & Economou, I. G.
(2018).
On the Efficient Separation of Gas Mixtures with the Mixed-Linker Zeolitic-Imidazolate Framework-7-8. ACS Applied Materials & Interfaces.
10(46), 39631-39644.
-
Papavasileiou, K. D., Moultos, O. A., & Economou, I. G.
(2018).
Predictions of water/oil interfacial tension at elevated temperatures and pressures: A molecular dynamics simulation study with biomolecular force fields. Fluid Phase Equilibria.
476, 30-38.
-
Bouhali, O., Economou, I. G., & El-Mellouhi, F.
(2018).
Some recent developments on computational science and engineering. Journal of Computational Science.
28, 357-359.
-
Nikolaidis, I. K., Franco, L., Vechot, L. N., & Economou, I. G.
(2018).
Modeling of physical properties and vapor - liquid equilibrium of ethylene and ethylene mixtures with equations of state. Fluid Phase Equilibria.
470, 149-163.
-
Tsimpanogiannis, I. N., Costandy, J., Kastanidis, P., El Meragawi, S., Michalis, V. K., Papadimitriou, N. I., ... Economou, I. G.
(2018).
Using clathrate hydrates for gas storage and gas-mixture separations: experimental and computational studies at multiple length scales. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
116(15-16), 2041-2060.
-
Papavasileiou, K. D., Michalis, V. K., Peristeras, L. D., Vasileiadis, M., Striolo, A., & Economou, I. G.
(2018).
Molecular Dynamics Simulation of Water-Based Fracturing Fluids in Kaolinite Slit Pores. Journal of Physical Chemistry C.
122(30), 17170-17183.
-
Mohamed, A., Krokidas, P., & Economou, I. G.
(2018).
CO2 selective metal organic framework ZIF-8 modified through ionic liquid encapsulation: A computational study. 27, 183-191.
-
Nikolaidis, I. K., Samoili, V. S., Voutsas, E. C., & Economou, I. G.
(2018).
Solid-Liquid-Gas Equilibrium of Methane-n-Alkane Binary Mixtures. Industrial & Engineering Chemistry Research.
57(25), 8566-8583.
-
Selam, M. A., Economou, I. G., & Castier, M.
(2018).
A thermodynamic model for strong aqueous electrolytes based on the eSAFT-VR Mie equation of state. Fluid Phase Equilibria.
464, 47-63.
-
Kastanidis, P., Michalis, V. K., Romanos, G. E., Stubos, A. K., Economou, I. G., & Tsimpanogiannis, I. N.
(2018).
Solubility of Methane and Carbon Dioxide in the Aqueous Phase of the Ternary (Methane plus Carbon Dioxide plus Water) Mixture: Experimental Measurements and Molecular Dynamics Simulations. Journal of Chemical and Engineering Data.
63(4), 1027-1035.
-
Tsimpanogiannis, I. N., & Economou, I. G.
(2018).
Monte Carlo simulation studies of clathrate hydrates: A review. Journal of Supercritical Fluids.
134, 51-60.
-
Vasileiadis, M., Peristeras, L. D., Papavasileiou, K. D., & Economou, I. G.
(2018).
Transport Properties of Shale Gas in Relation to Kerogen Porosity. Journal of Physical Chemistry C.
122(11), 6166-6177.
-
Santos, M. S., Franco, L., Castier, M., & Economou, I. G.
(2018).
Molecular Dynamics Simulation of n-Alkanes and CO2 Confined by Calcite Nanopores. Energy and Fuels.
32(2), 1934-1941.
-
Papadimitriou, N. I., Tsimpanogiannis, I. N., Economou, I. G., & Stubos, A. K.
(2018).
Identification of conditions for increased methane storage capacity in sII and sH clathrate hydrates from Monte Carlo simulations. The Journal of Chemical Thermodynamics.
117, 128-137.
-
Krokidas, P., Moncho, S., Brothers, E. N., Castier, M., & Economou, I. G.
(2018).
Tailoring the gas separation efficiency of metal organic framework ZIF-8 through metal substitution: a computational study. Physical Chemistry Chemical Physics.
20(7), 4879-4892.
-
Economou, I. G., Kanellopoulos, N., & Sanopoulou, M.
(2018).
In memory of Dr. John Petropoulos. 546, 110-110.
-
Mercier Franco, L. F., Castier, M., & Economou, I. G.
(2017).
Two-body perturbation theory versus first order perturbation theory: A comparison based on the square-well fluid. Journal of Chemical Physics.
147(21), 214108-214108.
-
Giraudet, C., Papavasileiou, K. D., Rausch, M. H., Chen, J., Kalantar, A., van der Laan, G. P., Economou, I. G., & Frba, A. P.
(2017).
Characterization of Water Solubility in n-Octacosane Using Raman Spectroscopy. Journal of Physical Chemistry B.
121(47), 10665-10673.
-
Kastanidis, P., Romanos, G. E., Stubos, A. K., Economou, I. G., & Tsimpanogiannis, I. N.
(2017).
Two- and three-phase equilibrium experimental measurements for the ternary CH4 + CO2 + H2O mixture. Fluid Phase Equilibria.
451, 96-105.
-
Franco, L., Economou, I. G., & Castier, M.
(2017).
Statistical Mechanical Model for Adsorption Coupled with SAFT-VR Mie Equation of State. Langmuir.
33(42), 11291-11298.
-
Krokidas, P., Castier, M., & Economou, I. G.
(2017).
Computational Study of ZIF-8 and ZIF-67 Performance for Separation of Gas Mixtures. Journal of Physical Chemistry C.
121(33), 17999-18011.
-
Papadimitriou, N. I., Tsimpanogiannis, I. N., Economou, I. G., & Stubos, A. K.
(2017).
Storage of H-2 in Clathrate Hydrates: Evaluation of Different Force-Fields used in Monte Carlo Simulations. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
115(9-12), 1274-1285.
-
Vasileiadis, M., Peristeras, L. D., Papavasileiou, K. D., & Economou, I. G.
(2017).
Modeling of Bulk Kerogen Porosity: Methods for Control and Characterization. Energy and Fuels.
31(6), 6004-6018.
-
Jiang, H., Economou, I. G., & Panagiotopoulos, A. Z.
(2017).
Molecular Modeling of Thermodynamic and Transport Properties for CO2 and Aqueous Brines. Accounts of Chemical Research.
50(4), 751-758.
-
Koller, T. M., Ramos, J., Schulz, P. S., Economou, I. G., Rausch, M. H., & Frba, A. P.
(2017).
Thermophysical Properties of Homologous Tetracyanoborate-Based Ionic Liquids Using Experiments and Molecular Dynamics Simulations. Journal of Physical Chemistry B.
121(16), 4145-4157.
-
Jiang, H., Economou, I. G., & Panagiotopoulos, A. Z.
(2017).
Phase Equilibria of Water/CO2 and Water/n-Alkane Mixtures from Polarizable Models. Journal of Physical Chemistry B.
121(6), 1386-1395.
-
Moultos, O. A., Tsimpanogiannis, I. N., Panagiotopoulos, A. Z., Trusler, J., & Economou, I. G.
(2016).
Atomistic Molecular Dynamics Simulations of Carbon Dioxide Diffusivity in n-Hexane, n-Decane, n-Hexadecane, Cyclohexane, and Squalane. Journal of Physical Chemistry B.
120(50), 12890-12900.
-
Jiang, H., Moultos, O. A., Economou, I. G., & Panagiotopoulos, A. Z.
(2016).
Hydrogen-Bonding Polarizable Intermolecular Potential Model for Water. Journal of Physical Chemistry B.
120(48), 12358-12370.
-
Brown, S., Peristeras, L. D., Martynov, S., Porter, R., Mahgerefteh, H., Nikolaidis, I. K., ... Economou, I. G.
(2016).
Thermodynamic interpolation for the simulation of two-phase flow of non-ideal mixtures. Computers and Chemical Engineering.
95, 49-57.
-
Mercier Franco, L. F., Castier, M., & Economou, I. G.
(2016).
Diffusion in Homogeneous and in Inhomogeneous Media: A New Unified Approach. Journal of Chemical Theory and Computation.
12(11), 5247-5255.
-
Papavasileiou, K. D., Makrodimitri, Z. A., Peristeras, L. D., Chen, J., van der Laan, G. P., Rudra, I., Kalantar, A., & Economou, I. G.
(2016).
Molecular Simulation of n-Octacosane-Water Mixture in Titania Nanopores at Elevated Temperature and Pressure. Journal of Physical Chemistry C.
120(43), 24743-24753.
-
Porter, R., Mahgerefteh, H., Brown, S., Martynov, S., Collard, A., Woolley, R. M., ... Krevor, S.
(2016).
Techno-economic assessment of CO2 quality effect on its storage and transport: CO(2)QUEST An overview of aims, objectives and main findings. International Journal of Greenhouse Gas Control.
54, 662-681.
-
Heller, A., Giraudet, C., Makrodimitri, Z. A., Fleys, M., Chen, J., van der Laan, G. P., ... Frba, A. P.
(2016).
Diffusivities of Ternary Mixtures of n-Alkanes with Dissolved Gases by Dynamic Light Scattering. Journal of Physical Chemistry B.
120(41), 10808-10823.
-
Papadimitriou, N. I., Tsimpanogiannis, I. N., Economou, I. G., & Stubos, A. K.
(2016).
The effect of lattice constant on the storage capacity of hydrogen hydrates: a Monte Carlo study. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
114(18), 2664-2671.
-
Kastanidis, P., Romanos, G. E., Michalis, V. K., Economou, I. G., Stubos, A. K., & Tsimpanogiannis, I. N.
(2016).
Development of a novel experimental apparatus for hydrate equilibrium measurements. Fluid Phase Equilibria.
424, 152-161.
-
Michalis, V. K., Tsimpanogiannis, I. N., Stubos, A. K., & Economou, I. G.
(2016).
Direct phase coexistence molecular dynamics study of the phase equilibria of the ternary methane-carbon dioxide-water hydrate system. Physical Chemistry Chemical Physics.
18(34), 23538-23548.
-
Costandy, J., Michalis, V. K., Tsimpanogiannis, I. N., Stubos, A. K., & Economou, I. G.
(2016).
Molecular dynamics simulations of pure methane and carbon dioxide hydrates: lattice constants and derivative properties. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
114(18), 2672-2687.
-
Economou, I. G., & Kontogeorgis, G.
(2016).
Thermodynamics 2015 Conference Copenhagen, Denmark, 15-18 September 2015 FOREWORD. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
114(18), 2569-2573.
-
Dawass, N., D'Lima, M. L., Economou, I. G., & Castier, M.
(2016).
Phase Equilibrium with External Fields: Application to Confined Fluids. Journal of Chemical and Engineering Data.
61(8), 2873-2885.
-
Papadimitriou, N. I., Tsimpanogiannis, I. N., Economou, L. G., & Stubos, A. K.
(2016).
Storage of Methane in Clathrate Hydrates: Monte Carlo Simulations of sI Hydrates and Comparison with Experimental Measurements. Journal of Chemical and Engineering Data.
61(8), 2886-2896.
-
Franco, L., Castier, M., & Economou, I. G.
(2016).
Anisotropic parallel self-diffusion coefficients near the calcite surface: A molecular dynamics study. Journal of Chemical Physics.
145(8), 084702-084702.
-
Castier, M., & Economou, I. G.
(2016).
Kenneth R. Hall-A Distinguished Educator, Scientist, and University Administrator. Journal of Chemical and Engineering Data.
61(8), 2649-2650.
-
Moultos, O. A., Zhang, Y., Tsimpanogiannis, I. N., Economou, I. G., & Maginn, E. J.
(2016).
System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO2, n-alkanes, and poly(ethylene glycol) dimethyl ethers. Journal of Chemical Physics.
145(7), 074109-074109.
-
Zubeir, L. F., Rocha, M., Vergadou, N., Weggemans, W., Peristeras, L. D., Schulz, P. S., Economou, I. G., & Kroon, M. C.
(2016).
Thermophysical properties of imidazolium tricyanomethanide ionic liquids: experiments and molecular simulation. Physical Chemistry Chemical Physics.
18(33), 23121-23138.
-
Bouhali, O., Economou, I. G., & El-Mellouhi, F.
(2016).
The International Computational Science and Engineering Conference. Journal of Computational Science.
15, 1-2.
-
Nikolaidis, I. K., Boulougouris, G. C., Peristeras, L. D., & Economou, I. G.
(2016).
Equation-of-State Modeling of Solid Liquid Gas Equilibrium of CO2 Binary Mixtures. Industrial & Engineering Chemistry Research.
55(21), 6213-6226.
-
El Meragawi, S., Diamantonis, N. I., Tsimpanogiannis, I. N., & Economou, I. G.
(2016).
Hydrate - fluid phase equilibria modeling using PC-SAFT and Peng-Robinson equations of state. Fluid Phase Equilibria.
413, 209-219.
-
Nikolaidis, I. K., Economou, I. G., Boulougouris, G. C., & Peristeras, L. D.
(2016).
Calculation of the phase envelope of multicomponent mixtures with the bead spring method. AIChE Journal.
62(3), 868-879.
-
Costandy, J., Michalis, V. K., Tsimpanogiannis, I. N., Stubos, A. K., & Economou, I. G.
(2016).
Lattice constants of pure methane and carbon dioxide hydrates at low temperatures. Implementing quantum corrections to classical molecular dynamics studies. Journal of Chemical Physics.
144(12), 124512-124512.
-
Jiang, H., Panagiotopoulos, A. Z., & Economou, I. G.
(2016).
Modeling of CO2 solubility in single and mixed electrolyte solutions using statistical associating fluid theory. GEOCHIMICA ET COSMOCHIMICA ACTA.
176, 185-197.
-
Vergadou, N., Androulaki, E., Hill, J., & Economou, I. G.
(2016).
Molecular simulations of imidazolium-based tricyanomethanide ionic liquids using an optimized classical force field. Physical Chemistry Chemical Physics.
18(9), 6850-6860.
-
Jiang, H., Moultos, O. A., Economou, I. G., & Panagiotopoulos, A. Z.
(2016).
Gaussian-Charge Polarizable and Nonpolarizable Models for CO2. Journal of Physical Chemistry B.
120(5), 984-994.
-
Moultos, O. A., Tsimpanogiannis, I. N., Panagiotopoulos, A. Z., & Economou, I. G.
(2016).
Self-diffusion coefficients of the binary (H2O + CO2) mixture at high temperatures and pressures. The Journal of Chemical Thermodynamics.
93, 424-429.
-
Krokidas, P., Castier, M., Moncho, S., Sredojevic, D. N., Brothers, E. N., Kwon, H. T., ... Economou, I. G.
(2016).
ZIF-67 Framework: A Promising New Candidate for Propylene/Propane Separation. Experimental Data and Molecular Simulations. Journal of Physical Chemistry C.
120(15), 8116-8124.
-
Kritikos, G., Vergadou, N., & Economou, I. G.
(2016).
Molecular Dynamics Simulation of Highly Confined Glassy Ionic Liquids. Journal of Physical Chemistry C.
120(2), 1013-1024.
-
Michalis, V. K., Moultos, O. A., Tsimpanogiannis, I. N., & Economou, I. G.
(2016).
Molecular dynamics simulations of the diffusion coefficients of light n-alkanes in water over a wide range of temperature and pressure. Fluid Phase Equilibria.
407, 236-242.
-
Krokidas, P., Castier, M., Moncho, S., Brothers, E., & Economou, I. G.
(2015).
Molecular Simulation Studies of the Diffusion of Methane, Ethane, Propane, and Propylene in ZIF-8. Journal of Physical Chemistry C.
119(48), 27028-27037.
-
Makrodimitri, Z. F., Heller, A., Koller, T. M., Rausch, M. H., Fleys, M., Bos, A., ... Economou, I. G.
(2015).
Viscosity of heavy n-alkanes and diffusion of gases therein based on molecular dynamics simulations and empirical correlations. The Journal of Chemical Thermodynamics.
91, 101-107.
-
Moultos, O. A., Orozco, G. A., Tsimpanogiannis, I. N., Panagiotopoulos, A. Z., & Economou, I. G.
(2015).
Atomistic Molecular Dynamics Simulations of H2O Diffusivity in Liquid and Supercritical CO2 (vol 113, pg 2805, 2015). Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
113(21), 3383-3383.
-
Moultos, O. A., Orozco, G. A., Tsimpanogiannis, I. N., Panagiotopoulos, A. Z., & Economou, I. G.
(2015).
Atomistic molecular dynamics simulations of H2O diffusivity in liquid and supercritical CO2. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
113(17-18), 2805-2814.
-
Costandy, J., Michalis, V. K., Tsimpanogiannis, I. N., Stubos, A. K., & Economou, I. G.
(2015).
The role of intermolecular interactions in the prediction of the phase equilibria of carbon dioxide hydrates. Journal of Chemical Physics.
143(9), 094506-094506.
-
Jiang, H., Mester, Z., Moultos, O. A., Economou, I. G., & Panagiotopoulos, A. Z.
(2015).
Thermodynamic and Transport Properties of H2O + NaCl from Polarizable Force Fields. Journal of Chemical Theory and Computation.
11(8), 3802-3810.
-
Koller, T. M., Heller, A., Rausch, M. H., Wasserscheid, P., Economou, I. G., & Frba, A. P.
(2015).
Mutual and Self-Diffusivities in Binary Mixtures of [EMIM][B(CN)4] with Dissolved Gases by Using Dynamic Light Scattering and Molecular Dynamics Simulations. Journal of Physical Chemistry B.
119(27), 8583-8592.
-
Michalis, V. K., Costandy, J., Tsimpanogiannis, I. N., Stubos, A. K., & Economou, I. G.
(2015).
Prediction of the phase equilibria of methane hydrates using the direct phase coexistence methodology. Journal of Chemical Physics.
142(4), 044501-044501.
-
Economou, I. G., Kontogeorgis, G. M., Dohrn, R., & de Hemptinne, J.
(2014).
Advances in thermodynamics for chemical process and product design. 92(12), 2793-2794.
-
Tsimpanogiannis, I. N., Diamantonis, N. I., Economou, I. G., Papadimitriou, N. I., & Stubos, A. K.
(2014).
Influence of combining rules on the cavity occupancy of clathrate hydrates using van der Waals-Platteeuw-theory-based modelling. 92(12), 2992-3007.
-
Orozco, G. A., Moultos, O. A., Jiang, H., Economou, I. G., & Panagiotopoulos, A. Z.
(2014).
Molecular simulation of thermodynamic and transport properties for the H2O+NaCl system. Journal of Chemical Physics.
141(23), 234507-234507.
-
Androulaki, E., Vergadou, N., & Economou, I. G.
(2014).
Analysis of the heterogeneous dynamics of imidazolium-based [Tf2N-] ionic liquids using molecular simulation. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
112(20), 2694-2706.
-
Orozco, G. A., Economou, I. G., & Panagiotopoulos, A. Z.
(2014).
Optimization of intermolecular potential parameters for the CO2/H2O mixture. Journal of Physical Chemistry B.
118(39), 11504-11511.
-
Papadimitriou, N. I., Tsimpanogiannis, I. N., Economou, I. G., & Stubos, A. K.
(2014).
Influence of combining rules on the cavity occupancy of clathrate hydrates by Monte Carlo simulations. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
112(17), 2258-2274.
-
Woolley, R. M., Fairweather, M., Wareing, C. J., Proust, C., Hebrard, J., Jamois, D., ... Diamantonis, N. I.
(2014).
An integrated, multi-scale modelling approach for the simulation of multiphase dispersion from accidental CO2 pipeline releases in realistic terrain. International Journal of Greenhouse Gas Control.
27, 221-238.
-
Tsimpanogiannis, I. N., Economou, I. G., & Stubos, A. K.
(2014).
Methane solubility in aqueous solutions under two-phase (H-L-W) hydrate equilibrium conditions. Fluid Phase Equilibria.
371, 106-120.
-
Moultos, O. A., Tsimpanogiannis, I. N., Panagiotopoulos, A. Z., & Economou, I. G.
(2014).
Atomistic molecular dynamics simulations of CO diffusivity in HO for a wide range of temperatures and pressures. Journal of Physical Chemistry B.
118(20), 5532-5541.
-
Heller, A., Koller, T. M., Rausch, M. H., Fleys, M., Bos, A., van der Laan, G. P., ... Frba, A. P.
(2014).
Simultaneous determination of thermal and mutual diffusivity of binary mixtures of n-octacosane with carbon monoxide, hydrogen, and water by dynamic light scattering. Journal of Physical Chemistry B.
118(14), 3981-3990.
-
Morales, A., Economou, I. G., Peters, C. J., & Siepmann, J. I.
(2013).
Influence of simulation protocols on the efficiency of Gibbs ensemble Monte Carlo simulations. Molecular Simulation.
39(14-15), 1135-1142.
-
Morales, C., Economou, I. G., Peters, C. J., & Siepmann, J. I.
(2013).
Influence of simulation protocols on the efficiency of Gibbs ensemble Monte Carlo simulations (vol 39, pg 1135, 2013). Molecular Simulation.
39(14-15), 1293-1293.
-
Diamantonis, N. I., Boulougouris, G. C., Tsangaris, D. M., El Kadi, M. J., Saadawi, H., Negahban, S., & Economou, I. G.
(2013).
Thermodynamic and transport property models for carbon capture and sequestration (CCS) processes with emphasis on CO2 transport. 91(10), 1793-1806.
-
Koller, T. M., Rausch, M. H., Ramos, J., Schulz, P. S., Wasserscheid, P., Economou, I. G., & Frba, A. P.
(2013).
Thermophysical properties of the ionic liquids [EMIM][B(CN)4] and [HMIM][B(CN)4]. Journal of Physical Chemistry B.
117(28), 8512-8523.
-
Diamantonis, N. I., Boulougouris, G. C., Mansoor, E., Tsangaris, D. M., & Economou, I. G.
(2013).
Evaluation of Cubic, SAFT, and PC-SAFT Equations of State for the Vapor-Liquid Equilibrium Modeling of CO2 Mixtures with Other Gases. Industrial & Engineering Chemistry Research.
52(10), 3933-3942.
-
Keasler, S. J., Charan, S. M., Wick, C. D., Economou, I. G., & Siepmann, J. I.
(2012).
Transferable potentials for phase equilibria-united atom description of five- and six-membered cyclic alkanes and ethers. Journal of Physical Chemistry B.
116(36), 11234-11246.
-
Garrido, N. M., Economou, I. G., Queimada, A. J., Jorge, M., & Macedo, E. A.
(2012).
Prediction of the n-hexane/water and 1-octanol/water partition coefficients for environmentally relevant compounds using molecular simulation. AIChE Journal.
58(6), 1929-1938.
-
Jackson, G., & Economou, I. G.
(2012).
Thermodynamics 2011 Conference Athens, Greece, 31 August-3 September 2011 http://www.thermodynamics2011.org/ FOREWORD. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
110(11-12), 1053-1056.
-
Koller, T. M., Rausch, M. H., Schulz, P. S., Berger, M., Wasserscheid, P., Economou, I. G., Leipertz, A., & Froeba, A. P.
(2012).
Viscosity, Interfacial Tension, Self-Diffusion Coefficient, Density, and Refractive Index of the Ionic Liquid 1-Ethyl-3-methylimidazolium Tetracyanoborate as a Function of Temperature at Atmospheric Pressure. Journal of Chemical and Engineering Data.
57(3), 828-835.
-
Makrodimitri, Z. A., Unruh, D., & Economou, I. G.
(2012).
Molecular simulation and macroscopic modeling of the diffusion of hydrogen, carbon monoxide and water in heavy n-alkane mixtures. Physical Chemistry Chemical Physics.
14(12), 4133-4141.
-
Garrido, N. M., Jorge, M., Queimada, A. J., Gomes, J., Economou, I. G., & Macedo, E. A.
(2011).
Predicting hydration Gibbs energies of alkyl-aromatics using molecular simulation: a comparison of current force fields and the development of a new parameter set for accurate solvation data. Physical Chemistry Chemical Physics.
13(38), 17384-17394.
-
Diamantonis, N. I., & Economou, I. G.
(2011).
Evaluation of Statistical Associating Fluid Theory (SAFT) and Perturbed Chain-SAFT Equations of State for the Calculation of Thermodynamic Derivative Properties of Fluids Related to Carbon Capture and Sequestration. Energy and Fuels.
25(7), 3334-3343.
-
Lundsgaard, R., Kontogeorgis, G. M., & Economou, I. G.
(2011).
Partition coefficients of organic molecules in squalane and water/ethanol mixtures by molecular dynamics simulations. Fluid Phase Equilibria.
306(2), 162-170.
-
Garrido, N. M., Jorge, M., Queimada, A. J., Macedo, E. A., & Economou, I. G.
(2011).
Using molecular simulation to predict solute solvation and partition coefficients in solvents of different polarity. Physical Chemistry Chemical Physics.
13(20), 9155-9164.
-
Breure, B., Strayer, E., Florusse, L. J., Rijkers, M., Economou, I. G., Vargas, F. M., & Peters, C. J.
(2011).
Phase Equilibria in Binary Mixtures of Propane and Phenanthrene: Experimental Data and Modeling with the GC-EoS. Journal of Chemical and Engineering Data.
56(4), 1407-1413.
-
Karanikas, S., & Economou, I. G.
(2011).
Molecular simulation of structure, thermodynamic and transport properties of polyacrylonitrile, polystyrene and their alternating copolymers in high temperatures. European Polymer Journal.
47(4), 735-745.
-
Spyriouni, T., Krokidis, X., & Economou, I. G.
(2011).
Thermodynamics of pharmaceuticals: Prediction of solubility in pure and mixed solvents with PC-SAFT. Fluid Phase Equilibria.
302(1-2), 331-337.
-
Makrodimitri, Z. A., Unruh, D., & Economou, I. G.
(2011).
Molecular simulation of diffusion of hydrogen, carbon monoxide, and water in heavy n-alkanes. Journal of Physical Chemistry B.
115(6), 1429-1439.
-
Lithoxoos, G. P., Labropoulos, A., Peristeras, L. D., Kanellopoulos, N., Samios, J., & Economou, I. G.
(2010).
Adsorption of N-2, CH4, CO and CO2 gases in single walled carbon nanotubes: A combined experimental and Monte Carlo molecular simulation study. Journal of Supercritical Fluids.
55(2), 510-523.
-
Kontogeorgis, G. M., & Economou, I. G.
(2010).
Equations of state: From the ideas of van der Waals to association theories. Journal of Supercritical Fluids.
55(2), 421-437.
-
Boulougouris, G. C., Peristeras, L. D., Economou, I. G., & Theodorou, D. N.
(2010).
Predicting fluid phase equilibrium via histogram reweighting with Gibbs ensemble Monte Carlo simulations. Journal of Supercritical Fluids.
55(2), 503-509.
-
Economou, I. G., Garrido, N. M., & Makrodimitri, Z. A.
(2010).
Prediction of microscopic structure and physical properties of complex fluid mixtures based on molecular simulation (vol 296, pg 125, 2010). Fluid Phase Equilibria.
299(2), 304-304.
-
Yiannourakou, M., Economou, I. G., & Bitsanis, I. A.
(2010).
Structural and dynamical analysis of monodisperse and polydisperse colloidal systems. Journal of Chemical Physics.
133(22), 224901-224901.
-
Hendriks, E., Kontogeorgis, G. M., Dohrn, R., de Hemptinne, J., Economou, I. G., Zilnik, L. F., & Vesovic, V.
(2010).
Industrial Requirements for Thermodynamics and Transport Properties. Industrial & Engineering Chemistry Research.
49(22), 11131-11141.
-
Garrido, N. M., Queimada, A. J., Jorge, M., Economou, I. G., & Macedo, E. A.
(2010).
Molecular simulation of absolute hydration Gibbs energies of polar compounds. Fluid Phase Equilibria.
296(2), 110-115.
-
Kontogeorgis, G. M., Tsivintzelis, I., von Solms, N., Grenner, A., Bogh, D., Frost, M., Knage-Rasmussen, A., & Economou, I. G.
(2010).
Use of monomer fraction data in the parametrization of association theories. Fluid Phase Equilibria.
296(2), 219-229.
-
Androulaki, E., Lambropoulou, S., Economou, I. G., & Przytycki, J. H.
(2010).
Inductive construction of 2-connected graphs for calculating the virial coefficients. Journal of Physics A: Mathematical and Theoretical.
43(31), 315004-315004.
-
Merz, K. M.
(2010).
Limits of Free Energy Computation for Protein-Ligand Interactions. Journal of Chemical Theory and Computation.
6(4), 1018-1027.
-
Garrido, N. M., Jorge, M., Queimada, A. J., Economou, I. G., & Macedo, E. A.
(2010).
Molecular simulation of the hydration Gibbs energy of barbiturates. Fluid Phase Equilibria.
289(2), 148-155.
-
Ahlstrm, P., Aim, K., Dohrn, R., Elliott, J. R., Jackson, G., Jaubert, J. N., ... Economou, I. G.
(2010).
A survey of the role of thermodynamics and transport properties in ChE university education in Europe and the USA. Chemical Engineering Education.
44(1), 35-43.
-
Boulougouris, G. C., Peristeras, L. D., Economou, I. G., & Theodorou, D. N.
(2010).
Predicting fluid phase equilibrium via histogram reweighting with Gibbs ensemble Monte Carlo simulations. Journal of Supercritical Fluids.
55(2), 503-509.
-
Garrido, N. M., Queimada, A. J., Jorge, M., Macedo, E. A., & Economou, I. G.
(2009).
1-Octanol/Water Partition Coefficients of n-Alkanes from Molecular Simulations of Absolute Solvation Free Energies. Journal of Chemical Theory and Computation.
5(9), 2436-2446.
-
Tsivintzelis, I., Grenner, A., Economou, I. G., & Kontogeorgis, G. M.
(2009).
Evaluation of the Nonrandom Hydrogen Bonding (NRHB) Theory and the Simplified Perturbed-Chain-Statistical Associating Fluid Theory (sPC-SAFT). 2. Liquid-Liquid Equilibria and Prediction of Monomer Fraction in Hydrogen Bonding Systems. (vol 47, pg 5651, 2008). Industrial & Engineering Chemistry Research.
48(16), 7860-7860.
-
Tsivintzelis, I., Economou, I. G., & Kontogeorgis, G. M.
(2009).
Modeling the phase behavior in mixtures of pharmaceuticals with liquid or supercritical solvents. Journal of Physical Chemistry B.
113(18), 6446-6458.
-
Logotheti, G., Ramos, J., & Economou, I. G.
(2009).
Molecular modeling of imidazolium-based [Tf2N-] ionic liquids: microscopic structure, thermodynamic and dynamic properties, and segmental dynamics. Journal of Physical Chemistry B.
113(20), 7211-7224.
-
Yiannourakou, M., Economou, I. G., & Bitsanis, I. A.
(2009).
Phase equilibrium of colloidal suspensions with particle size dispersity: a Monte Carlo study. Journal of Chemical Physics.
130(19), 194902-194902.
-
Tsivintzelis, I., Economou, I. G., & Kontogeorgis, G. M.
(2009).
Modeling the Solid-Liquid Equilibrium in Pharmaceutical-Solvent Mixtures: Systems with Complex Hydrogen Bonding Behvaior. AIChE Journal.
55(3), 756-770.
-
Economou, I. G.
(2008).
ChemInform Abstract: Molecular Simulation of Phase Equilibria for Industrial Applications. 39(49), no-no.
-
Karakatsani, E. K., Economou, I. G., Kroon, M. C., Bermejo, M. D., Peters, C. J., & Witkamp, G.
(2008).
Equation of state modeling of the phase equilibria of ionic liquid mixtures at low and high pressure. Physical Chemistry Chemical Physics.
10(40), 6160-6168.
-
Makrodimitri, Z. A., & Economou, L. G.
(2008).
Atomistic simulation of poly(dimethylsiloxane) permeability properties to gases and n-alkanes. MACROMOLECULES.
41(15), 5899-5907.
-
Tsolou, G., Mavrantzas, V. G., Makrodimitri, Z. A., Economou, I. G., & Gani, R.
(2008).
Atomistic simulation of the sorption of small gas molecules in polyisobutylene. MACROMOLECULES.
41(16), 6228-6238.
-
Grenner, A., Tsivintzelis, I., Economou, I. G., Panayiotou, C., & Kontogeorgis, G. M.
(2008).
Evaluation of the nonrandom hydrogen bonding (NRHB) theory and the simplified perturbed-chain-statistical associating fluid theory (sPC-SAFT). 1. Vapor-liquid equilibria. Industrial & Engineering Chemistry Research.
47(15), 5636-5650.
-
Tsivintzelis, I., Grenner, A., Economou, I. G., & Kontogeorgis, G. M.
(2008).
Evaluation of the nonrandom hydrogen bonding (NRHB) theory and the simplified perturbed-chain-statistical associating fluid theory (sPC-SAFT). 2. Liquid-liquid equilibria and prediction of monomer fraction in hydrogen bonding systems. Industrial & Engineering Chemistry Research.
47(15), 5651-5659.
-
Tsivintzelis, I., Grenner, A., Economou, I. G., & Kontogeorgis, G. M.
(2008).
Evaluation of the nonrandom hydrogen bonding (NRHB) theory and the simplified perturbed-chain-statistical associating fluid theory (sPC-SAFT). 2. Liquid-liquid equilibria and prediction of monomer fraction in hydrogen bonding systems. Industrial & Engineering Chemistry Research.
47(15), 5651-5659.
-
Economou, I. G., Karakatsani, E. K., Logotheti, G., Ramos, J., & Vanin, A. A.
(2008).
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. 63(3), 283-293.
-
Kechagia, Z., Kiparissides, C., & Economou, L. G.
(2008).
Determination of liquid-gas partition coefficients of BuA and MMA by headspace-gas chromatography utilizing the phase ratio variation method. Fluid Phase Equilibria.
266(1-2), 21-30.
-
Economou, I., OConnell, J., Panagiotopoulos, A., Theodorou, D., & Tsonopoulos, C.
(2007).
Properties and Phase Equilibria for Product and Process Design. Fluid Phase Equilibria.
261(1-2), 1-2.
-
Karakatsani, E. K., Economou, L. G., Kroon, M. C., Peters, C. J., & Witkamp, G.
(2007).
TPC-PSAFT modeling of gas solubility in imidazolium-based ionic liquids. Journal of Physical Chemistry C.
111(43), 15487-15492.
-
Rissanou, A. N., Peristeras, L. D., & Economou, I. G.
(2007).
Calculation of the effect of macromolecular architecture on structure and thermodynamic properties of linear-tri-arm polyethylene blends from Monte Carlo simulation. POLYMER.
48(13), 3883-3892.
-
Peristeras, L. D., Rissanou, A. N., Economou, I. G., & Theodorou, D. N.
(2007).
Novel Monte Carlo molecular simulation scheme using identity-altering elementary moves for the calculation of structure and thermodynamic properties of polyolefin blends. MACROMOLECULES.
40(8), 2904-2914.
-
Tsivintzelis, I., Spyriouni, T., & Economou, I. G.
(2007).
Modeling of fluid phase equilibria with two thermodynamic theories: Non-random hydrogen bonding (NRHB) and statistical associating fluid theory (SAFT). Fluid Phase Equilibria.
253(1), 19-28.
-
Makrodimitri, Z. A., Dohrn, R., & Economou, I. G.
(2007).
Atomistic simulation of poly(dimethylsiloxane): Force field development, structure, and thermodynamic properties of polymer melt and solubility of n-alkanes, n-perfluoroalkanes, and noble and light gases. MACROMOLECULES.
40(5), 1720-1729.
-
Tritopoulou, E. A., & Economou, I. G.
(2006).
Molecular simulation of structure and thermodynamic properties of pure tri- and tetra-ethylene glycols and their aqueous mixtures. Fluid Phase Equilibria.
248(2), 134-146.
-
Rissanou, A. N., Economou, I. G., & Panagiotopoulos, A. Z.
(2006).
Monte Carlo simulation of the phase behavior of model dendrimers. MACROMOLECULES.
39(18), 6298-6305.
-
Karakatsani, E. K., Kontogeorgis, G. M., & Economou, I. G.
(2006).
Evaluation of the truncated perturbed chain-polar statistical associating fluid theory for complex mixture fluid phase equilibria. Industrial & Engineering Chemistry Research.
45(17), 6063-6074.
-
Makrodimitri, Z. A., Raptis, V. E., & Economou, I. G.
(2006).
Molecular dynamics simulation of structure, thermodynamic, and dynamic properties of poly(dimethylsilamethylene), poly(dimethylsilatrimethylene) and their alternating copolymer. Journal of Physical Chemistry B.
110(32), 16047-16058.
-
Kroon, M. C., Karakatsani, E. K., Economou, I. G., Witkamp, G., & Peters, C. J.
(2006).
Modeling of the carbon dioxide solubility in imidazolium-based ionic liquids with the tPC-PSAFT equation of state. Journal of Physical Chemistry B.
110(18), 9262-9269.
-
Karakatsani, E. K., & Economou, I. G.
(2006).
Perturbed chain-statistical associating fluid theory extended to dipolar and quadrupolar molecular fluids. Journal of Physical Chemistry B.
110(18), 9252-9261.
-
Rissanou, A. N., Yiannourakou, M., Economou, I. G., & Bitsanis, I. A.
(2006).
Temperature-induced crystallization in concentrated suspensions of multiarm star polymers: a molecular dynamics study. Journal of Chemical Physics.
124(4), 044905-044905.
-
Spyriouni, T., & Economou, I. G.
(2005).
Evaluation of SAFT and PC-SAFT models for the description of homo- and co-polymer solution phase equilibria. POLYMER.
46(24), 10772-10781.
-
Makowska-Janusik, M., Reis, H., Papadopoulos, M. G., & Economou, I. G.
(2005).
Peculiarities of electric field alignment of nonlinear optical chromophores incorporated into thin film polymer matrix. Theoretical Chemistry Accounts.
114(1-3), 153-158.
-
Karakatsani, E. K., Spyriouni, T., & Economou, I. G.
(2005).
Extended statistical associating fluid theory (SAFT) equations of state for dipolar fluids. AIChE Journal.
51(8), 2328-2342.
-
Peristeras, L. D., Economou, I. G., & Theodorou, D. N.
(2005).
Structure and volumetric properties of linear and triarm star polyethylenes from atomistic Monte Carlo simulation using new internal rearrangement moves. MACROMOLECULES.
38(2), 386-397.
-
Panayiotou, C., Pantoula, M., Stefanis, E., Tsivintzelis, I., & Economou, I. G.
(2004).
Nonrandom hydrogen-bonding model of fluids and their mixtures. 1. Pure fluids. Industrial & Engineering Chemistry Research.
43(20), 6592-6606.
-
Alentiev, A., Economou, I. G., Finkelshtein, E., Petrou, J., Raptis, V. E., Sanopoulou, M., ... Yampolskii, Y.
(2004).
Transport properties of silmethylene homo-polymers and random copolymers: experimental measurements and molecular simulation. POLYMER.
45(20), 6933-6944.
-
Lindvig, T., Economou, I. G., Danner, R. P., Michelsen, M. L., & Kontogeorgis, G. M.
(2004).
Modeling of multicomponent vapor-liquid equilibria for polymer-solvent systems. Fluid Phase Equilibria.
220(1), 11-20.
-
Raptis, V. E., Economou, I. G., Theodorou, D. N., Petrou, J., & Petropoulos, J. H.
(2004).
Molecular dynamics simulation of structure and thermodynamic properties of poly(dimethylsilamethylene) and hydrocarbon solubility therein: Toward the development of novel membrane materials for hydrocarbon separation. MACROMOLECULES.
37(3), 1102-1112.
-
Economou, I. G.
(2004).
Chapter 12 Molecular Simulation of Phase Equilibria for Industrial Applications. Computer Aided Chemical Engineering.
19(C), 279-307.
-
Makowska-Janusik, M., Reis, H., Papadopoulos, M. G., Economou, I. G., & Zacharopoulos, N.
(2004).
Molecular dynamics simulations of electric field poled nonlinear optical chromophores incorporated in a polymer matrix. Journal of Physical Chemistry B.
108(2), 588-596.
-
Oke, A., Mahgerefteh, H., Economou, I., & Rykov, Y.
(2003).
A transient outflow model for pipeline puncture. 58(20), 4591-4604.
-
Tritopoulout, E. A., Pappa, G. D., Voutsas, E. C., Economou, I. G., & Tassios, D. P.
(2003).
Modeling of liquid-liquid phase equilibria in aqueous solutions of poly(ethylene glycol) with a UNIFAC-based model. Industrial & Engineering Chemistry Research.
42(21), 5399-5408.
-
Economou, I. G.
(2002).
Statistical associating fluid theory: A successful model for the calculation of thermodynamic and phase equilibrium properties of complex fluid mixtures. Industrial & Engineering Chemistry Research.
41(5), 953-962.
-
Solov'ev, S. A., Yampolskii, Y. P., Economou, I. G., Ushakov, N. V., & Finkel'shtein, E. S.
(2002).
Thermodynamic parameters of hydrocarbon sorption by poly(silmethylenes). 44(3), 293-300.
-
Zacharopoulos, N., & Economou, L. G.
(2002).
Morphology and organization of poly(propylene imine) dendrimers in the melt from molecular dynamics simulation. MACROMOLECULES.
35(5), 1814-1821.
-
Solov'ev, S. A., Yampol'skij, Y. P., Economou, I. G., Ushakov, N. V., & Finkel'shtejn, E. S.
(2002).
Thermodynamic parameters of hydrocarbon sorption by poly(silmethylenes). Высокомолекулярные соединения / Polymer Science, Series A. Polymer Physics / Vysokomolekulyarnye Soedineniya, Ser. A..
44(3), 465-473.
-
Boulougouris, G. C., Economou, I. G., & Theodorou, D. N.
(2001).
Calculation of the chemical potential of chain molecules using the staged particle deletion scheme. Journal of Chemical Physics.
115(17), 8231-8237.
-
Boulougouris, G. C., Voutsas, E. C., Economou, I. G., Theodorou, D. N., & Tassios, D. P.
(2001).
Henry's constant analysis for water and nonpolar solvents from experimental data, macroscopic models, and molecular simulation. The Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter.
105(32), 7792-7798.
-
Economou, I. G.
(2001).
Monte Carlo simulation of phase equilibria of aqueous systems. Fluid Phase Equilibria.
183, 259-269.
-
Zouridakis, N. M., Economou, I. G., Tzevelekos, K. P., & Kikkinides, E. S.
(2000).
Investigation of the physicochemical characteristics of ancient mortars by static and dynamic studies. 30(7), 1151-1155.
-
Economou, I. C.
(2000).
Lattice-fluid theory prediction of high-density polyethylene-branched polyolefin blend miscibility. MACROMOLECULES.
33(13), 4954-4960.
-
Mahgerefteh, H., Saha, P., & Economou, I. G.
(2000).
Modeling fluid phase transition effects on dynamic behavior of ESDV. AIChE Journal.
46(5), 997-1006.
-
Boulougouris, G. C., Errington, J. R., Economou, I. G., Panagiotopoulos, A. Z., & Theodorou, D. N.
(2000).
Molecular simulation of phase equilibria for water-n-butane and water-n-hexane mixtures. Journal of Physical Chemistry B.
104(20), 4958-4963.
-
Voutsas, E. C., Boulougouris, G. C., Economou, I. G., & Tassios, D. P.
(2000).
Water/hydrocarbon phase equilibria using the thermodynamic perturbation theory. Industrial & Engineering Chemistry Research.
39(3), 797-804.
-
Varzakas, T., Escudero, I., & Economou, I. G.
(1999).
Estimation of endoglucanase and lysozyme effective diffusion coefficients in polysulphone membranes. 72(1-2), 77-83.
-
Mahgerefteh, H., Saha, P., & Economou, I. G.
(1999).
Fast numerical simulation for full bore rupture of pressurized pipelines. AIChE Journal.
45(6), 1191-1201.
-
Spyriouni, T., Economou, I. G., & Theodorou, D. N.
(1999).
Molecular simulation of alpha-olefins using a new united-atom potential model: Vapor-liquid equilibria of pure compounds and mixtures. Journal of the American Chemical Society.
121(14), 3407-3413.
-
BOULOUGOURIS, G. C., ECONOMOU, I. G., & THEODOROU, D. N.
(1999).
On the calculation of the chemical potential using the particle deletion scheme. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
96(6), 905-913.
-
Boulougouris, G. C., Economou, I. G., & Theodorou, D. N.
(1999).
On the calculation of the chemical potential using the particle deletion scheme. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
96(6), 905-913.
-
Errington, J. R., Boulougouris, G. C., Economou, I. G., Panagiotopoulos, A. Z., & Theodorou, D. N.
(1998).
Molecular simulation of phase equilibria for water-methane and water-ethane mixtures. Journal of Physical Chemistry B.
102(44), 8865-8873.
-
Spyriouni, T., Economou, I. G., & Theodorou, D. N.
(1998).
Phase equilibria of mixtures containing chain molecules predicted through a novel simulation scheme. Physical Review Letters.
80(20), 4466-4469.
-
Boulougouris, G. C., Economou, I. G., & Theodorou, D. N.
(1998).
Engineering a molecular model for water phase equilibrium over a wide temperature range. Journal of Physical Chemistry B.
102(6), 1029-1035.
-
Spyriouni, T., Economou, I. G., & Theodorou, D. N.
(1998).
Molecular simulation of the pure n-hexadecane vapor-liquid equilibria at elevated temperature. MACROMOLECULES.
31(4), 1430-1431.
-
Mahgerefteh, H., Saha, P., & Economou, I. G.
(1997).
A study of the dynamic response of emergency shutdown valves following full bore rupture of gas pipelines. Process Safety and Environmental Protection: Transactions of the Institution of Chemical Engineers, Part B.
75(B4), 201-209.
-
Spyriouni, T., Economou, I. G., & Theodorou, D. N.
(1997).
Thermodynamics of chain fluids from atomistic simulation: A test of the chain increment method for chemical potential. MACROMOLECULES.
30(16), 4744-4755.
-
Economou, I. G., & Tsonopoulos, C.
(1997).
Associating models and mixing rules in equations of state for water/hydrocarbon mixtures. Chemical Engineering Science (CES).
52(4), 511-525.
-
Economou, I. G., Heidman, J. L., Tsonopoulos, C., & Wilson, G. M.
(1997).
Mutual solubilities of hydrocarbons and water .3. 1-hexene, 1-octene, C-10-C-12 hydrocarbons. AIChE Journal.
43(2), 535-546.
-
Economou, I. G., & Donohue, M. D.
(1996).
Equations of state for hydrogen bonding systems. Fluid Phase Equilibria.
116(1-2), 518-529.
-
Economou, I. G., & Donohue, M. D.
(1996).
Equations of state for hydrogen bonding systems. Fluid Phase Equilibria.
116(1-2), 518-529.
-
ECONOMOU, I. G., PETERS, C. J., FLORUSSE, L. J., & ARONS, J. D.
(1995).
PHASE-BEHAVIOR OF THE BINARY REFRIGERANT MIXTURE CHLORODIFLUORO-ETHANE (R22)-1,1,1,2-TETRAFLUORO-ETHANE (R134A) - EXPERIMENTAL INVESTIGATION AND THEORETICAL MODELING USING THE PERTURBED-ANISOTROPIC-CHAIN THEORY (PACT). Fluid Phase Equilibria.
111(2), 239-252.
-
ECONOMOU, I. G., & PETERS, C. J.
(1995).
PHASE-EQUILIBRIA PREDICTION OF HYDROGEN-FLUORIDE SYSTEMS FROM AN ASSOCIATING MODEL. Industrial & Engineering Chemistry Research.
34(5), 1868-1872.
-
ECONOMOU, I. G., PETERS, C. J., & ARONS, J. D.
(1995).
WATER-SALT PHASE-EQUILIBRIA AT ELEVATED-TEMPERATURES AND PRESSURES - MODEL DEVELOPMENT AND MIXTURE PREDICTIONS. The Journal of physical chemistry.
99(16), 6182-6193.
-
SMITS, P. J., ECONOMOU, I. G., PETERS, C. J., & ARONS, J. D.
(1994).
EQUATION OF STATE DESCRIPTION OF THERMODYNAMIC PROPERTIES OF NEAR-CRITICAL AND SUPERCRITICAL WATER. The Journal of physical chemistry.
98(46), 12080-12085.
-
KONTOGEORGIS, G. M., FREDENSLUND, A., ECONOMOU, I. G., & TASSIOS, D. T.
(1994).
EQUATIONS ON STATE AND ACTIVITY-COEFFICIENT MODELS FOR VAPOR-LIQUID-EQUILIBRIA OF POLYMER-SOLUTIONS. AIChE Journal.
40(10), 1711-1727.
-
BLINDENBACH, W. L., ECONOMOU, I. G., SMITS, P. J., PETERS, C. J., & ARONS, J. D.
(1994).
MODELING THE THERMODYNAMIC PROPERTIES OF CFC AND HCFC COMPOUNDS, AND THE VAPOR-LIQUID-EQUILIBRIA OF CFC AND HCFC MIXTURES AND CFC HCFC HYDROCARBON MIXTURES, WITH THE PERTURBED ANISOTROPIC CHAIN THEORY (PACT). Fluid Phase Equilibria.
97(C), 13-28.
-
ECONOMOU, I. G., DONOHUE, M. D., & HUNTER, L. W.
(1993).
EQUATION-OF-STATE CALCULATIONS OF CHEMICAL-REACTION EQUILIBRIUM IN NONIDEAL SYSTEMS. International Journal of Thermophysics.
14(2), 199-213.
-
ANDERKO, A., ECONOMOU, I. G., & DONOHUE, M. D.
(1993).
THERMODYNAMIC INCONSISTENCIES IN AND ACCURACY OF CHEMICAL-EQUATIONS OF STATE FOR ASSOCIATING FLUIDS - COMMENTS. Industrial & Engineering Chemistry Research.
32(1), 245-246.
-
ECONOMOU, I. G., GREGG, C. J., & RADOSZ, M.
(1992).
SOLUBILITIES OF SOLID POLYNUCLEAR AROMATICS (PNAS) IN SUPERCRITICAL ETHYLENE AND ETHANE FROM STATISTICAL ASSOCIATING FLUID THEORY (SAFT) - TOWARD SEPARATING PNAS BY SIZE AND STRUCTURE. Industrial & Engineering Chemistry Research.
31(11), 2620-2624.
-
ECONOMOU, I. G., & DONOHUE, M. D.
(1992).
EQUATION OF STATE WITH MULTIPLE ASSOCIATING SITES FOR WATER AND WATER HYDROCARBON MIXTURES. Industrial & Engineering Chemistry Research.
31(10), 2388-2394.
-
CHEN, S. J., ECONOMOU, I. G., & RADOSZ, M.
(1992).
DENSITY-TUNED POLYOLEFIN PHASE-EQUILIBRIA .2. MULTICOMPONENT SOLUTIONS OF ALTERNATING POLY(ETHYLENE PROPYLENE) IN SUBCRITICAL AND SUPERCRITICAL OLEFINS - EXPERIMENT AND SAFT MODEL. MACROMOLECULES.
25(19), 4987-4995.
-
CAMPBELL, S. W., ECONOMOU, I. G., & DONOHUE, M. D.
(1992).
CLOSED-FORM EXPRESSIONS FOR CHEMICAL THEORY OF ASSOCIATING MIXTURES. AIChE Journal.
38(4), 611-614.
-
VIMALCHAND, P., THOMAS, A., ECONOMOU, I. G., & DONOHUE, M. D.
(1992).
EFFECT OF HARD-SPHERE STRUCTURE ON PURE-COMPONENT EQUATION OF STATE CALCULATIONS. Fluid Phase Equilibria.
73(1-2), 39-55.
-
ECONOMOU, I. G., & DONOHUE, M. D.
(1992).
THERMODYNAMIC INCONSISTENCIES IN AND ACCURACY OF CHEMICAL-EQUATIONS OF STATE FOR ASSOCIATING FLUIDS. Industrial & Engineering Chemistry Research.
31(4), 1203-1211.
-
ECONOMOU, I. G., & DONOHUE, M. D.
(1991).
CHEMICAL, QUASI-CHEMICAL AND PERTURBATION THEORIES FOR ASSOCIATING FLUIDS. AIChE Journal.
37(12), 1875-1894.
-
ECONOMOU, I. G., VIMALCHAND, P., & DONOHUE, M. D.
(1991).
MEASUREMENT OF INFINITE DILUTION ACTIVITY-COEFFICIENTS USING HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHY. Fluid Phase Equilibria.
68(C), 131-149.
-
ECONOMOU, I. G., CUI, Y. P., & DONOHUE, M. D.
(1991).
HYDROGEN-BONDING IN POLYMER SOLVENT MIXTURES. MACROMOLECULES.
24(18), 5058-5067.
-
Wiley, D. E., Nabetani, H., Nakao, S., Tavare, N. S., Hounslow, M. J., Anderko, A., ... Akgerman, A.
(1991).
Letters to the editor. AIChE Journal.
37(5), 791-799.
-
Brennecke, J. F., Debenedetti, P. G., Eckert, C. A., Johnston, K. P., Donohue, M. D., Economou, I. G., Tavare, N. S., & Kowski, Z. R.
(1990).
Letters to the editor. AIChE Journal.
36(12), 1927-1930.
-
ECONOMOU, I. G., & DONOHUE, M. D.
(1990).
MEAN FIELD CALCULATIONS OF THERMODYNAMIC PROPERTIES OF SUPERCRITICAL FLUIDS. AIChE Journal.
36(12), 1920-1925.
-
ECONOMOU, I. G., IKONOMOU, G. D., VIMALCHAND, P., & DONOHUE, M. D.
(1990).
THERMODYNAMICS OF LEWIS ACID-BASE MIXTURES. AIChE Journal.
36(12), 1851-1864.
-
Mohamed, A., Economou, I. G., & Jeong, H.
(2024).
Coarse-grained force field for ZIF-8: A study on adsorption, diffusion, and structural properties. Journal of Chemical Physics.
160(20), 204706.
-
book
-
Elbashir, N. O., El-Halwagi, M. M., Economou, I. G., & Hall, K. R.
(2018).
Natural Gas Processing from Midstream to Downstream. Wiley.
-
Elbashir, N. O., El-Halwagi, M. M., Economou, I. G., & Hall, K. R.
(2018).
Natural Gas Processing from Midstream to Downstream. Wiley.
-
chapter
-
Romanos, G. E., Vergadou, N., & Economou, I. G.
(2022).
Ionic Liquids in Carbon Capture. Sustainable Carbon Capture.
(pp. 73-141).
Taylor & Francis.
-
Economou, I. G., Krokidas, P., Michalis, V. K., Moultos, O. A., Tsimpanogiannis, I. N., & Vergadou, N.
(2017).
The Role of Molecular Thermodynamics in Developing Industrial Processes and Novel Products That Meet the Needs for a Sustainable Future. The WaterFoodEnergy Nexus.
(pp. 635-660).
Taylor & Francis.
-
Mujtaba, I., Srinivasan, R., Elbashir, N., Economou, I., Krokidas, P., Michalis, V., ... Vergadou, N.
(2017).
The WaterFoodEnergy Nexus. The WaterFoodEnergy Nexus.
(pp. 633-660).
Taylor & Francis.
-
Vergadou, N., Androulaki, E., & Economou, I. G.
(2017).
Molecular Simulation Methods for CO2 Capture and Gas Separation with Emphasis on Ionic Liquids. Process Systems and Materials for CO 2 Capture.
(pp. 79-111).
Wiley.
-
Mujtaba, I. M., Srinivasan, R., & Elbashir, N. O.
(2017).
The Water-Food-Energy Nexus. The Water-Food-Energy Nexus: Processes, Technologies, and Challenges.
(pp. 553-602).
CRC Press.
-
Costandy, J., Michalis, V. K., Stubos, A. K., Tsimpanogiannis, I. N., & Economou, I. G.
(2015).
Atomistic Simulations of Clathrate Hydrates. Proceedings of the 4th International Gas Processing Symposium.
(pp. 351-359).
Elsevier.
-
Tsimpanogiannis, I. N., Economou, I. G., & Stubos, A. K.
(2015).
Gas Solubility in Aqueous Solutions Under Two-Phase (HLw) Hydrate Equilibrium Conditions. Proceedings of the 4th International Gas Processing Symposium.
(pp. 205-212).
Elsevier.
-
Meragawi, S. E., Moultos, O. A., Tsimpanogiannis, I. N., Diamantonis, N. I., Panagiotopoulos, A. Z., & Economou, I. G.
(2015).
Molecular Thermodynamic Models for CO2 and Mixtures: Recent Developments and Applications for Process Design. Proceedings of the 4th International Gas Processing Symposium.
(pp. 361-370).
Elsevier.
-
Economou, I. G., Pistikopoulos, E. N., Liu, J., Kawajiri, Y., Gernaey, K. V., Woodley, J. M., JimnezGonzlez, C., & BaaresAlcntara, R.
(2012).
Process Systems Engineering, 9. Domain Engineering. Ullmann's Encyclopedia of Industrial Chemistry.
Wiley.
-
Makrodimitri, Z. A., Economou, I. G., & Unruh, D.
(2012).
Molecular Modeling of Gas Treatment Processes with Emphasis to GTL Process. Proceedings of the 3rd Gas Processing Symposium.
(pp. 319-325).
Elsevier.
-
Economou, I. G.
(2010).
Chapter 4. Applied Thermodynamics of Fluids.
(pp. 53-83).
Royal Society of Chemistry (RSC).
-
Economou, I. G.
(2010).
Cubic and Generalized van der Waals Equations of State. APPLIED THERMODYNAMICS OF FLUIDS.
(pp. 53-83).
-
Economou, I. G., & Makrodimitri, Z. A.
(2010).
The Role of Molecular Thermodynamics and Simulation in Natural Gas Sustainable Processes. Proceedings of the 2nd Annual Gas Processing Symposium.
(pp. 299-309).
Elsevier.
-
Romanos, G. E., Vergadou, N., & Economou, I. G.
(2022).
Ionic Liquids in Carbon Capture. Sustainable Carbon Capture.
(pp. 73-141).
Taylor & Francis.
-
conference paper
-
Yu, J., Mahgerefteh, H., Martynov, S., Olewski, T., Economou, I., & Vechot, L.
(2019).
FIRE AND EXPLOSION MODELLING FOLLOWING THE ACCIDENTAL FAILURE OF HIGH PRESSURE ETHYLENE TRANSPORTATION PIPELINES. 195-198.
-
Papadimitriou, N. I., Tsimpanogiannis, I. N., Economou, I. G., & Stubos, A. K.
(2015).
Evaluation of the Efficiency of Clathrate Hydrates in Storing Energy Gases. Journal of Physics : Conference Series.
012026-012026.
-
Kwon, H. T., Krokidas, P., Castier, M., Economou, I. G., Escriva, S. M., Sredojevic, D., Brothers, E., & Jeong, H. K.
(2015).
Heteroepitaxially-grown zeolitic imidazolate framework membranes with unprecedented propylene/propane separation performance. 1003-1004.
-
Economou, I. G., de Hemptinne, J., Dohrn, R., Hendriks, E., Keskinen, K., & Baudouin, O.
(2014).
Industrial use of thermodynamics workshop: Round table discussion on 8 July 2014. 2795-2796.
-
Alexandros Moultos, O., Tsimpanogiannis, I., Panagiotopoulos, A., & Economou, I.
(2014).
Atomistic Molecular Dynamics Simulations Of Transport Properties Of Co2 - H2o - Nacl Mixture At Conditions Relevant To Ccs Processes
-
Brown, S., Martynov, S., Mahgerefteh, H., Fairweather, M., Woolley, R. M., Wareing, C. J., ... Van Wittenberghe, J.
(2014).
CO(2)QUEST: Techno-economic assessment of CO2 quality effect on its storage and transport. Energy Procedia.
2622-2629.
-
Woolley, R. M., Fairweather, M., Wareing, C. J., Falle, S., Mahgerefteh, H., Martynov, S., ... Jamois, D.
(2014).
CO2PipeHaz: quantitative hazard assessment for next generation CO2 pipelines. Energy Procedia.
2510-2529.
-
Economou, I. G., Diamantonis, N. I., Boulougouris, G. C., & Tsangaris, D. M.
(2013).
Comprehensive thermophysical model development for CO2 pipeline transport. 310-311.
-
Tsimpanogiannis, I. N., Economou, I. G., & Stubos, A. K.
(2013).
Effect of Langmuir constants on hydrate equilibrium calculations. 988-989.
-
Tsimpanogiannis, I. N., Economou, I. G., & Stubos, A. K.
(2013).
Effect of langmuir constants on hydrate equilibrium calculations. 215-216.
-
Economou, I. G.
(2013).
European federation of chemical engineering-working party on thermodynamics and transport properties. 867.
-
Papadimitriou, N. I., Tsimpanogiannis, I. N., Economou, I. G., & Stubos, A. K.
(2013).
Hydrogen storage in hydrates: Evaluation of different force-fields used in Monte Carlo simulations. 45.
-
Economou, I. G., Makrodimitri, Z. A., Froba, A. P., Koller, T., Heller, A., Rausch, M., ... Unruh, D.
(2013).
Model development for the gas-to-liquid process based on molecular simulation and experimental measurements of physical properties. 29.
-
Mahgerefteh, H., Brown, S., Martynov, S., Fairweather, M., Woolley, R., Pourkashanian, M., ... Chen, S.
(2013).
Techno-economic assessment of CO2 Quality Effect on its Storage and Transport (CO2QUEST)
-
Koller, T. M., Ramos, J., Garrido, N. M., Froeba, A. P., & Economou, I. G.
(2012).
Development of a united-atom force field for 1-ethyl-3-methylimidazolium tetracyanoborate ionic liquid. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
1115-1126.
-
Diamantonis, N. I., & Economou, I. G.
(2012).
Modeling the phase equilibria of a H2O-CO2 mixture with PC-SAFT and tPC-PSAFT equations of state. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
1205-1212.
-
Lithoxoos, G. P., Peristeras, L. D., Boulougouris, G. C., & Economou, I. G.
(2012).
Monte Carlo simulation of carbon monoxide, carbon dioxide and methane adsorption on activated carbon. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
1153-1160.
-
Androulaki, E., Vergadou, N., Ramos, J., & Economou, I. G.
(2012).
Structure, thermodynamic and transport properties of imidazolium-based bis(trifluoromethylsulfonyl)imide ionic liquids from molecular dynamics simulations. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics.
1139-1152.
-
Peters, C., Breure, B., Economou, I., & Vargas, F.
(2011).
Phase equilibria in binary mixtures of propane and phenanthrene: Measurements and modeling
-
Siepmann, J. I., Maerzke, K. A., Garrido, N., & Economou, I. G.
(2011).
Development of the TraPPE-CG force field. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
-
Economou, I. G., Garrido, N. M., & Makrodimitri, Z. A.
(2010).
Prediction of microscopic structure and physical properties of complex fluid mixtures based on molecular simulation. Fluid Phase Equilibria.
125-132.
-
Ahlstrm, P., Aim, K., Dohrn, R., Elliott, J. R., Jackson, G., Jaubert, J. N., ... Economou, I.
(2008).
A survey of thermodynamics and transport properties in chemical engineering education in Europe and the USA
-
Economou, I. G., Logotheti, G. E., Ramos, J., & Vanin, A.
(2008).
Ab initio calculations and molecular dynamics simulations for imidazolium - [Tf2N] ionic liquids: Microscopic structure and thermodynamic properties
-
Economou, I. G., & Makrodimitri, Z.
(2008).
Atomistic simulation of poly(dimethylsiloxane): Structure, thermodynamic and diffusion properties to gases and N-Alkanes
-
Bick, A., Krokidis, X., Peristeras, L., & Economou, I. G.
(2008).
COMP 7-Multiscale simulations of green solvents, from ab initio to physical properties modeling. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
-
Makrodimitri, Z. A., & Economou, I. G.
(2007).
Molecular modeling of polydimethylsiloxane mixtures. AIP Conference Proceedings.
408-411.
-
Karakatsani, E. K., & Economou, I. G.
(2007).
Phase equilibrium calculations for multi-component polar fluid mixtures with tPC-PSAFT. Fluid Phase Equilibria.
265-271.
-
Yiannourakou, M., Bitsanis, I., & Economou, I.
(2007).
Phase equilibrium of colloid systems with particle size dispersity: A Monte Carlo study. AIP Conference Proceedings.
444-+.
-
Economou, I. G., Makrodimitri, Z. A., Kontogeorgis, G. M., & Tihic, A.
(2007).
Solubility of gases and solvents in silicon polymers: molecular simulation and equation of state modeling. Molecular Simulation.
851-860.
-
Rissanou, A. N., Yiannourakou, M., Economou, I. G., & Bitsanis, I. A.
(2007).
Amorphous and crystalline states of ultrasoft colloids: a molecular dynamics study. Rheologica Acta: an international journal of rheology.
755-764.
-
Panayiotou, C., Tsivintzelis, I., & Economou, I. G.
(2007).
Nonrandom hydrogen-bonding model of fluids and their mixtures. 2. Multicomponent mixtures. Industrial & Engineering Chemistry Research.
2628-2636.
-
Economou, I. G., Makrodimitri, Z. A., & Raptis, V. E.
(2006).
Molecular dynamics simulation of structure, thermodynamic, dynamic and hydrocarbon permeability properties of silicon-containing elastomers with promising membrane material behavior
-
Bitsanis, I. A., Rissanou, A. N., Yannourakou, M., Economou, I. G., & Vlassopoulos, D.
(2006).
Mesoscopic simulations of T-Induced solidification in dense suspensions of ultrasoft supramolecules. RECENT PROGRESS IN COMPUTATIONAL SCIENCES AND ENGINEERING, VOLS 7A AND 7B.
1079-+.
-
Economou, I. G., Raptis, V. E., Melissas, V. S., Theodorou, D. N., Petrou, J., & Petropoulos, J. H.
(2005).
Molecular simulation of structure, thermodynamic and transport properties of polymeric membrane materials for hydrocarbon separation. Fluid Phase Equilibria.
15-20.
-
Soloviev, S., Yampolskii, Y., & Economou, I. G.
(2001).
Thermodynamics of sorption of hydrocarbons in novel silmethylene rubbers. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
U372-U372.
-
Economou, I. G., Spyriouni, T., & Theodorou, D. N.
(1999).
Molecular simulation of the phase equilibria of 1-olefin systems. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
U692-U692.
-
CHEN, S. J., ECONOMOU, I. G., & RADOSZ, M.
(1993).
PHASE-BEHAVIOR OF LCST AND UCST SOLUTIONS OF BRANCHY COPOLYMERS - EXPERIMENT AND SAFT MODELING. Fluid Phase Equilibria.
391-398.
-
Yu, J., Mahgerefteh, H., Martynov, S., Olewski, T., Economou, I., & Vechot, L.
(2019).
FIRE AND EXPLOSION MODELLING FOLLOWING THE ACCIDENTAL FAILURE OF HIGH PRESSURE ETHYLENE TRANSPORTATION PIPELINES. 195-198.
-
institutional repository document
-
Spera, M. M., Braga, F. N., Bartolomeu, R., Economou, I. G., & Franco, L.
(2022).
Diffusion of Fluids Confined in Carbonate Minerals: A Molecular Dynamics Simulation Study for Carbon Dioxide and Methane-Ethane Mixture within Calcite
-
Androulaki, E., Lambropoulou, S., Economou, I. G., & Przytycki, J. H.
(2009).
Inductive Construction of 2-Connected Graphs for Calculating the Virial Coefficients
-
Spera, M. M., Braga, F. N., Bartolomeu, R., Economou, I. G., & Franco, L.
(2022).
Diffusion of Fluids Confined in Carbonate Minerals: A Molecular Dynamics Simulation Study for Carbon Dioxide and Methane-Ethane Mixture within Calcite
Research
principal investigator on
- Advanced air dehumidification membranes for energy efficient membrane-based air-cooling process awarded by Qatar National Research Fund - (Doha, Qatar) 2020 - 2023
- Innovative Asymmetric Mixed Matrix Hollow Fiber Membranes for Gas Mixture Separation awarded by Qatar National Research Fund - (Doha, Qatar) 2020 - 2023
- Development of a State-of-the-Art Thermodynamic Model for Mixtures Containing Water, Carbon Dioxide, Salts and Hydrocarbons in Bulk and in Confinement awarded by Qatar National Research Fund - (Doha, Qatar) 2016 - 2019
- Design and Optimization of Highly Productive Zeolitic Imidazolate Framework, ZIF-8, Membranes For Industrial Propylene/Propane Separations awarded by Qatar National Research Fund - (Doha, Qatar) 2015 - 2018
- Design and manufacturing of a hydrogen permeation cell for hydrogen embrittlement research studies awarded by Qatar National Research Fund - (Doha, Qatar) 2016 - 2017
- Effect of moisture content and particle size on the explosive properties of sulfur dusts awarded by Qatar National Research Fund - (Doha, Qatar) 2016 - 2017
Teaching
teaching activities
- CHEN451 Intro To Polymer Engr: Greece Instructor
- CHEN623 App Of Thermo To Ch E Instructor
- CHEN629 Transport Phenomena Instructor
- CHEN641 Polymer Engineering: Greece Instructor
- CHEN691 Research Instructor
Works By Students
chaired theses and dissertations
-
Costandy, Joseph GN (2015-06). Prediction of the Three-Phase Coexistence Conditions of Pure Methane and Carbon Dioxide Hydrates Using Molecular Dynamics Simulations.
-
Dawass, Noura A (2016-04). Thermodynamic Modeling of Fluids Confined in Porous Media.
-
El Meragawi, Sally (2015-06). Modeling of Thermodynamic Properties and Phase Equilibria of Multicomponent Systems Related to the Oil and Gas Industry using the PC-SAFT Equation of State.
-
Mohamed, Amro Mamoon Osman (2018-04). CO2 Selective Metal Organic Framework ZIF-8 Modified Through IL Encapsulation: A Computational Study.
-
Selam, Muaz Ahmed (2017-06). Modeling Electrolyte Solutions in a Statistical Associating Fluid Theory (SAFT) Framework.
Background
education and training
- Ph.D. in Chemical Engineering, Johns Hopkins University - (Baltimore, Maryland, United States) 1992
- D.E. in Chemical Engineering, National Technical University of Athens - (Athens, Attiki, Greece) 1987
awards and honors
Contact
first name
- Ioannis
has last name
- Economou
Other
- ioannis.economou@qatar.tamu.edu