Effective mean field approach to kinetic Monte Carlo simulations in limit cycle dynamics with reactive and diffusive rewiring von Panagakou, E., Boulougouris, G. C., Provata, A.

Volltext

Intercomparison between LH2, LNG and pressurized NH3 dispersion using an adiabatic mixing approach von Venetsanos, A.G., Boulougouris, G.C., Giannissi, S., Krassa, Th, Andronopoulos, S., Bartzis, J.G.

Volltext

Water/Hydrocarbon Phase Equilibria Using the Thermodynamic Perturbation Theory von Voutsas, Epaminondas C, Boulougouris, Georgios C, Economou, Ioannis G, Tassios, Dimitrios P

Volltext

An integrated, multi-scale modelling approach for the simulation of multiphase dispersion from accidental CO sub(2) pipeline releases in realistic terrain von Woolley, R M, Fairweather, M, Wareing, C J, Proust, C, Hebrard, J, Jamois, D, Narasimhamurthy, V D, Storvik, I E, Skjold, T, Falle, SAEG, Brown, S, Mahgerefteh, H, Martynov, S, Gant, SE, Tsangaris, D M, Economou, I G, Boulougouris, G C, Diamantonis, NI

Volltext

Engineering a Molecular Model for Water Phase Equilibrium over a Wide Temperature Range von Boulougouris, Georgios C, Economou, Ioannis G, Theodorou, Doros N

Volltext

Monte Carlo Sampling of a Markov Web von Boulougouris, Georgios C, Frenkel, Daan

Volltext

Novel Monte Carlo scheme for systems with short-ranged interactions von Boulougouris, Georgios C, Frenkel, Daan

Volltext

Molecular Simulation of Phase Equilibria for Water−Methane and Water−Ethane Mixtures von Errington, Jeffrey R, Boulougouris, Georgios C, Economou, Ioannis G, Panagiotopoulos, Athanassios Z, Theodorou, Doros N

Volltext

Techno-economic assessment of CO2 quality effect on its storage and transport: CO(2)QUEST An overview of aims, objectives and main findings von Porter, RTJ, Mahgerefteh, H, Brown, S, Martynov, S, Collard, A, Woolley, RM, Fairweather, M, Falle, SAEG, Wareing, CJ, Nikolaidis, IK, Boulougouris, GC, Peristeras, LD, Tsangaris, DM, Economou, IG, Salvador, C, Zanganeh, K, Wigston, A, Najafali, JN, Shafeen, A, Beigzadeh, A, Farret, R, Gombert, P, Hebrard, J, Proust, C, Ceroni, A, Flauw, Y, Zhang, Y, Chen, S, Yu, J, Talemi, RH, Bensabat, J, Wolf, JL, Rebscher, D, Niemi, A, Jung, B, Mac Dowell, N, Shah, N, Kolster, C, Mechleri, E, Krevor, S

Volltext

Calculation of the chemical potential of chain molecules using the staged particle deletion scheme von Boulougouris, Georgios C., Economou, Ioannis G., Theodorou, Doros N.

Volltext

Techno-economic assessment of CO2 quality effect on its storage and transport: CO2QUEST: An overview of aims, objectives and main findings von Porter, RTJ, Mahgerefteh, H, Brown, S, Martynov, S, Collard, A, Woolley, RM, Fairweather, M, Falle, SAEG, Wareing, CJ, Nikolaidis, IK, Boulougouris, GC, Peristeras, LD, Tsangaris, DM, Economou, IG, Salvador, C, Zanganeh, K, Wigston, A, Najafali, JN, Shafeen, A, Beigzadeh, A, Farret, R, Gombert, P, Hebrard, J, Proust, C, Ceroni, A, Flauw, Y, Zhang, Y, Chen, S, Yu, J, Talemi, RH, Bensabat, J, Wolf, JL, Rebscher, D, Niemi, A, Jung, B, Mac Dowell, N, Shah, N, Kloster, C, Mechleri, E, Krevor, S

Volltext bestellen

An integrated, multi-scale modelling approach for the simulation of multiphase dispersion from accidental CO2 pipeline releases in realistic terrain von Woolley, RM, Fairweather, M, Wareing, CJ, Proust, C, Hebrard, J, Jamois, D, Narasimhamurthy, VD, Storvik, IE, Skjold, T, Falle, SAEG, Brown, S, Mahgerefteh, H, Martynov, S, Gant, SE, Tsangaris, DM, Economou, IG, Boulougouris, GC, Diamantonis, NI

Volltext bestellen

Carbon capture: Whole system experimental and theoretical modeling investigation of the optimal CO2 stream composition in the carbon capture and sequestration chain von Mahgerefteh, H, Porter, RTJ, Brown, S, Martynov, S, Collard, A, Fairweather, M, Falle, SAEG, Woolley, RM, Boulougouris, GC, Economou, IG, Tsangaris, DM, Nikolaidis, IK, Beigzadeh, A, Salvador, C, Zanganeh, KE, Ceroni, A, Farret, R, Flauw, Y, Hébrard, J, Jamois, D, Proust, C, Chen, SY, Yu, JL, Zhang, Y, Van Hoecke, D, Hojjati Talemi, R, Cooreman, S, Bensabat, J, Segev, R, Rebscher, D, Wolf, JL, Niemi, A, Kolster, C, Mac Dowell, N, Shah, N

Volltext bestellen

Coarse-Grained Molecular Dynamics Simulation of Cobalt Nanoparticle in the n‑Octacosane–Water Mixture: The Effect of Water Concentration and Nanoparticle Size von Papavasileiou, Konstantinos D., Peristeras, Loukas D., Boulougouris, Georgios C., Economou, Ioannis G.

Volltext

Efficient and robust methods for direct saturation point calculations von Nikolaidis, Ilias K., Boulougouris, Georgios C., Peristeras, Loukas D., Economou, Ioannis G.

Volltext

Unscrambling micro-solvation of -COOH and -NH groups in neat dimethyl sulfoxide: insights from 1H-NMR spectroscopy and computational studies von Takis, Panteleimon G, Papavasileiou, Konstantinos D, Peristeras, Loukas D, Boulougouris, Georgios C, Melissas, Vasilios S, Troganis, Anastassios N

Volltext

Unscrambling micro-solvation of -COOH and -NH groups in neat dimethyl sulfoxide: insights from 1 H-NMR spectroscopy and computational studies von Takis, Panteleimon G, Papavasileiou, Konstantinos D, Peristeras, Loukas D, Boulougouris, Georgios C, Melissas, Vasilios S, Troganis, Anastassios N

Volltext

Lumping analysis for the prediction of long-time dynamics: From monomolecular reaction systems to inherent structure dynamics of glassy materials von Lempesis, Nikolaos, Tsalikis, Dimitrios G., Boulougouris, Georgios C., Theodorou, Doros N.

Volltext

Thermodynamic and transport property models for carbon capture and sequestration (CCS) processes with emphasis on CO2 transport von Diamantonis, Nikolaos I., Boulougouris, Georgios C., Tsangaris, Dimitrios M., Kadi, Mohamad J. El, Saadawi, Hisham, Negahban, Shahin, Economou, Ioannis G.

Volltext

CO2PipeHaz: Quantitative Hazard Assessment for Next Generation CO2 Pipelines von Woolley, Robert M., Fairweather, Michael, Wareing, Christopher J., Falle, Samuel A.E.G., Mahgerefteh, Haroun, Martynov, Sergey, Brown, Solomon, Narasimhamurthy, Vagesh D., Storvik, Idar E., Sælen, Lene, Skjold, Trygve, Economou, Ioannis G., Tsangaris, Dimitrios M., Boulougouris, Georgios C., Diamantonis, Nikolaos, Cusco, Laurence, Wardman, Mike, Gant, Simon E., Wilday, Jill, Zhang, Yong Chun, Chen, Shaoyun, Proust, Christophe, Hebrard, Jerome, Jamois, Didier

Volltext