Statistical associating fluid theory: A successful model for the calculation of thermodynamic and phase equilibrium properties of complex fluid mixtures IG Economou Industrial & engineering chemistry research 41 (5), 953-962, 2002 | 420 | 2002 |
Industrial requirements for thermodynamics and transport properties E Hendriks, GM Kontogeorgis, R Dohrn, JC de Hemptinne, IG Economou, ... Industrial & engineering chemistry research 49 (22), 11131-11141, 2010 | 273 | 2010 |
Engineering a molecular model for water phase equilibrium over a wide temperature range GC Boulougouris, IG Economou, DN Theodorou The Journal of Physical Chemistry B 102 (6), 1029-1035, 1998 | 216 | 1998 |
Modeling of the carbon dioxide solubility in imidazolium-based ionic liquids with the tPC-PSAFT equation of state MC Kroon, EK Karakatsani, IG Economou, GJ Witkamp, CJ Peters The Journal of Physical Chemistry B 110 (18), 9262-9269, 2006 | 203 | 2006 |
Associating models and mixing rules in equations of state for water/hydrocarbon mixtures IG Economou, C Tsonopoulos Chemical Engineering Science 52 (4), 511-525, 1997 | 183 | 1997 |
Chemical, quasi‐chemical and perturbation theories for associating fluids IG Economou, MD Donohue AIChE journal 37 (12), 1875-1894, 1991 | 178 | 1991 |
Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies IN Tsimpanogiannis, OA Moultos, LFM Franco, MBM Spera, M Erdős, ... Molecular Simulation 45 (4-5), 425-453, 2019 | 169 | 2019 |
Adsorption of N2, CH4, CO and CO2 gases in single walled carbon nanotubes: A combined experimental and Monte Carlo molecular simulation study GP Lithoxoos, A Labropoulos, LD Peristeras, N Kanellopoulos, J Samios, ... The Journal of Supercritical Fluids 55 (2), 510-523, 2010 | 169 | 2010 |
Extended statistical associating fluid theory (SAFT) equations of state for dipolar fluids EK Karakatsani, T Spyriouni, IG Economou AIChE Journal 51 (8), 2328-2342, 2005 | 149 | 2005 |
Evaluation of Cubic, SAFT, and PC-SAFT Equations of State for the Vapor–Liquid Equilibrium Modeling of CO2 Mixtures with Other Gases NI Diamantonis, GC Boulougouris, E Mansoor, DM Tsangaris, ... Industrial & Engineering Chemistry Research 52 (10), 3933-3942, 2013 | 147 | 2013 |
Water/hydrocarbon phase equilibria using the thermodynamic perturbation theory EC Voutsas, GC Boulougouris, IG Economou, DP Tassios Industrial & engineering chemistry research 39 (3), 797-804, 2000 | 145 | 2000 |
Molecular simulation of phase equilibria for water− methane and water− ethane mixtures JR Errington, GC Boulougouris, IG Economou, AZ Panagiotopoulos, ... The Journal of Physical Chemistry B 102 (44), 8865-8873, 1998 | 143 | 1998 |
ZIF-67 framework: a promising new candidate for propylene/propane separation. experimental data and molecular simulations P Krokidas, M Castier, S Moncho, DN Sredojevic, EN Brothers, HT Kwon, ... The Journal of Physical Chemistry C 120 (15), 8116-8124, 2016 | 142 | 2016 |
Perturbed chain-statistical associating fluid theory extended to dipolar and quadrupolar molecular fluids EK Karakatsani, IG Economou The Journal of Physical Chemistry B 110 (18), 9252-9261, 2006 | 142 | 2006 |
1-Octanol/Water Partition Coefficients of n-Alkanes from Molecular Simulations of Absolute Solvation Free Energies NM Garrido, AJ Queimada, M Jorge, EA Macedo, IG Economou Journal of Chemical Theory and Computation 5 (9), 2436-2446, 2009 | 141 | 2009 |
Evaluation of statistical associating fluid theory (SAFT) and perturbed chain-SAFT equations of state for the calculation of thermodynamic derivative properties of fluids … NI Diamantonis, IG Economou Energy & Fuels 25 (7), 3334-3343, 2011 | 137 | 2011 |
Nonrandom hydrogen-bonding model of fluids and their mixtures. 1. Pure fluids C Panayiotou, M Pantoula, E Stefanis, I Tsivintzelis, IG Economou Industrial & engineering chemistry research 43 (20), 6592-6606, 2004 | 135 | 2004 |
Transferable potentials for phase equilibria–united atom description of five-and six-membered cyclic alkanes and ethers SJ Keasler, SM Charan, CD Wick, IG Economou, JI Siepmann The Journal of Physical Chemistry B 116 (36), 11234-11246, 2012 | 131 | 2012 |
Prediction of the phase equilibria of methane hydrates using the direct phase coexistence methodology VK Michalis, J Costandy, IN Tsimpanogiannis, AK Stubos, IG Economou The Journal of Chemical Physics 142 (4), 2015 | 130 | 2015 |
System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO2, n-alkanes, and poly (ethylene glycol) dimethyl ethers OA Moultos, Y Zhang, IN Tsimpanogiannis, IG Economou, EJ Maginn The Journal of Chemical Physics 145 (7), 2016 | 127 | 2016 |