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Papavasileiou, K.D., Peristeras, L.D., Bick, A. and Economou, I.G., 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, Volume 35, Pages: 4313–4332, 2021 [doi]

Papavasileiou, K.D., Peristeras, L.D., Chen, J., van der Laan, G.P., Rudra, I., Kalantar, A. and Economou, I.G., Molecular dynamics simulation of the n-octacosane-water mixture confined in hydrophilic and hydrophobic mesopores: The effect of oxygenates Fluid Phase Equilibria, Volume 526, 2020 [doi]

Papavasileiou, Konstantinos D., Peristeras, Loukas D., Bick, Andreas and Economou, Ioannis G., Molecular Dynamics Simulation of Pure textitn -Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields The Journal of Physical Chemistry B, Volume 123, Pages: 6229–6243, 2019 [doi]

Papavasileiou, Konstantinos D., Vasileiadis, Manolis, Michalis, Vasileios K., Peristeras, Loukas D. and Economou, Ioannis G., Multi-Scale Models for the Prediction of Microscopic Structure and Physical Properties of Chemical Systems Related to Natural Gas Technology Natural Gas Processing from Midstream to Downstream, John Wiley & Sons, Ltd, Pages: 463–497, 2018 [doi]

Papavasileiou, Konstantinos D., Michalis, Vasileios K., Peristeras, Loukas D., Vasileiadis, Manolis, Striolo, Alberto and Economou, Ioannis G., Molecular Dynamics Simulation of Water-Based Fracturing Fluids in Kaolinite Slit Pores The Journal of Physical Chemistry C, Volume 122, Pages: 17170–17183, 2018 [doi]

Vasileiadis, M., Peristeras, L.D., Papavasileiou, K.D. and Economou, I.G., Transport Properties of Shale Gas in Relation to Kerogen Porosity Journal of Physical Chemistry C, Volume 122, Pages: 6166-6177, 2018 [doi]

Vasileiadis, Manolis, Peristeras, Loukas D., Papavasileiou, Konstantinos D. and Economou, Ioannis G., Modeling of Bulk Kerogen Porosity: Methods for Control and Characterization Energy & Fuels, Volume 31, Pages: 6004–6018, 2017 [doi]

Papavasileiou, Konstantinos D., Moultos, Othonas A. and Economou, Ioannis G., Predictions of water/oil interfacial tension at elevated temperatures and pressures: A molecular dynamics simulation study with biomolecular force fields Fluid Phase Equilibria, 2017 [doi]

Chatzidaki, Maria D., Papavasileiou, Konstantinos D., Papadopoulos, Manthos G. and Xenakis, Aristotelis, Reverse Micelles As Antioxidant Carriers: An Experimental and Molecular Dynamics Study Langmuir, Volume 33, Pages: 5077–5085, 2017 [doi]

Takis, Panteleimon G., Papavasileiou, Konstantinos D., Peristeras, Loukas D., Boulougouris, Georgios C., Melissas, Vasilios S. and Troganis, Anastassios N., Unscrambling micro-solvation of –COOH and –NH groups in neat dimethyl sulfoxide: insights from $^{textrm{1}}$ H-NMR spectroscopy and computational studies Phys. Chem. Chem. Phys., Volume 19, Pages: 13710–13722, 2017 [doi]

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Disclaimer: Publications of INN count all publications involving members of its constituent groups, including those authored when members were working in other Institutions (i.e. without INN affiliation). We apologize for this inconvenience due to method used to find group publications, and declare that the Institute has no claims over publications involving non-INN affiliations.