| 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 |
| 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 | 148 | 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 | 146 | 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 | 145 | 1998 |
| On the calculation of the chemical potential using the particle deletion scheme GC Boulougouris, IG Economou, DN Theodorou Molecular physics 96 (6), 905-913, 1999 | 92 | 1999 |
| An integrated, multi-scale modelling approach for the simulation of multiphase dispersion from accidental CO2 pipeline releases in realistic terrain RM Woolley, M Fairweather, CJ Wareing, C Proust, J Hebrard, D Jamois, ... International Journal of Greenhouse Gas Control 27, 221-238, 2014 | 66 | 2014 |
| Prediction of Sorption of CO2 in Glassy Atactic Polystyrene at Elevated Pressures Through a New Computational Scheme T Spyriouni, GC Boulougouris, DN Theodorou Macromolecules 42 (5), 1759-1769, 2009 | 65 | 2009 |
| Molecular Simulation of Phase Equilibria for Water−n-Butane and Water−n-Hexane Mixtures GC Boulougouris, JR Errington, IG Economou, AZ Panagiotopoulos, ... The Journal of Physical Chemistry B 104 (20), 4958-4963, 2000 | 57 | 2000 |
| Thermodynamic and transport property models for carbon capture and sequestration (CCS) processes with emphasis on CO2 transport NI Diamantonis, GC Boulougouris, DM Tsangaris, MJ El Kadi, H Saadawi, ... Chemical engineering research and design 91 (10), 1793-1806, 2013 | 56 | 2013 |
| Dynamical integration of a Markovian web: a first passage time approach GC Boulougouris, DN Theodorou The Journal of chemical physics 127 (8), 2007 | 56 | 2007 |
| Calculation of the chemical potential of chain molecules using the staged particle deletion scheme GC Boulougouris, IG Economou, DN Theodorou The Journal of Chemical Physics 115 (17), 8231-8237, 2001 | 56 | 2001 |
| Henry's constant analysis for water and nonpolar solvents from experimental data, macroscopic models, and molecular simulation GC Boulougouris, EC Voutsas, IG Economou, DN Theodorou, DP Tassios The Journal of Physical Chemistry B 105 (32), 7792-7798, 2001 | 49 | 2001 |
| Monte Carlo simulation of carbon monoxide, carbon dioxide and methane adsorption on activated carbon GP Lithoxoos, LD Peristeras, GC Boulougouris, IG Economou Molecular Physics 110 (11-12), 1153-1160, 2012 | 48 | 2012 |
| CO2PipeHaz: quantitative hazard assessment for next generation CO2 pipelines RM Woolley, M Fairweather, CJ Wareing, SAEG Falle, H Mahgerefteh, ... Energy Procedia 63, 2510-2529, 2014 | 47 | 2014 |
| Techno-economic assessment of CO2 quality effect on its storage and transport: CO2QUEST: An overview of aims, objectives and main findings RTJ Porter, H Mahgerefteh, S Brown, S Martynov, A Collard, RM Woolley, ... International Journal of Greenhouse Gas Control 54, 662-681, 2016 | 41 | 2016 |
| Monte Carlo sampling of a Markov web GC Boulougouris, D Frenkel Journal of chemical theory and computation 1 (3), 389-393, 2005 | 33 | 2005 |
| On the role of inherent structures in glass-forming materials: I. The vitrification process DG Tsalikis, N Lempesis, GC Boulougouris, DN Theodorou The Journal of Physical Chemistry B 112 (34), 10619-10627, 2008 | 28 | 2008 |
| CO2QUEST: Techno-economic assessment of CO2 quality effect on its storage and transport S Brown, S Martynov, H Mahgerefteh, M Fairweather, RM Woolley, ... Energy Procedia 63, 2622-2629, 2014 | 27 | 2014 |
| Tracking a glassy polymer on its energy landscape in the course of elastic deformation N Lempesis, GG Vogiatzis, GC Boulougouris, LCA van Breemen, M Hütter, ... Molecular Physics 111 (22-23), 3430-3441, 2013 | 27 | 2013 |
| Probing subglass relaxation in polymers via a geometric representation of probabilities, observables, and relaxation modes for discrete stochastic systems GC Boulougouris, DN Theodorou The Journal of chemical physics 130 (4), 2009 | 26 | 2009 |
