Computational Study of ZIF‑8 and ZIF-67 Performance for Separation of Gas Mixtures von Krokidas, Panagiotis, Castier, Marcelo, Economou, Ioannis G

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Evaluation of Statistical Associating Fluid Theory (SAFT) and Perturbed Chain-SAFT Equations of State for the Calculation of Thermodynamic Derivative Properties of Fluids Related t... von Diamantonis, Nikolaos I, Economou, Ioannis G

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System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO2, n-alkanes, and poly(ethylene glycol) dimethyl ethers von Moultos, Othonas A., Zhang, Yong, Tsimpanogiannis, Ioannis N., Economou, Ioannis G., Maginn, Edward J.

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Prediction of the phase equilibria of methane hydrates using the direct phase coexistence methodology von Michalis, Vasileios K, Costandy, Joseph, Tsimpanogiannis, Ioannis N, Stubos, Athanassios K, Economou, Ioannis G

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Molecular Simulation Studies of the Diffusion of Methane, Ethane, Propane, and Propylene in ZIF‑8 von Krokidas, Panagiotis, Castier, Marcelo, Moncho, Salvador, Brothers, Edward, Economou, Ioannis G

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Modeling of Gas Solubility in Aqueous Electrolyte Solutions with the eSAFT-VR Mie Equation of State von Novak, Nefeli, Kontogeorgis, Georgios M, Castier, Marcelo, Economou, Ioannis G

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Molecular Dynamics Simulation of Pure n‑Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields von Papavasileiou, Konstantinos D, Peristeras, Loukas D, Bick, Andreas, Economou, Ioannis G

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Mixed Solvent Electrolyte Solutions: A Review and Calculations with the eSAFT-VR Mie Equation of State von Novak, Nefeli, Kontogeorgis, Georgios M., Castier, Marcelo, Economou, Ioannis G.

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Assessment of the Perturbed Chain-Statistical Associating Fluid Theory Equation of State against a Benchmark Database of High-Quality Binary-System Data von Nikolaidis, Ilias K, Privat, Romain, Jaubert, Jean-Noël, Economou, Ioannis G

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Molecular Dynamics Simulation of n‑Alkanes and CO2 Confined by Calcite Nanopores von Santos, Mirella S, Franco, Luís F. M, Castier, Marcelo, Economou, Ioannis G

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A thermodynamic model for strong aqueous electrolytes based on the eSAFT-VR Mie equation of state von Selam, Muaz A., Economou, Ioannis G., Castier, Marcelo

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ZIF-67 Framework: A Promising New Candidate for Propylene/Propane Separation. Experimental Data and Molecular Simulations von Krokidas, Panagiotis, Castier, Marcelo, Moncho, Salvador, Sredojevic, Dusan N, Brothers, Edward N, Kwon, Hyuk Taek, Jeong, Hae-Kwon, Lee, Jong Suk, Economou, Ioannis G

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Atomistic Molecular Dynamics Simulations of CO2 Diffusivity in H2O for a Wide Range of Temperatures and Pressures von Moultos, Othonas A., Tsimpanogiannis, Ioannis N., Panagiotopoulos, Athanassios Z., Economou, Ioannis G.

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Transport Properties of Shale Gas in Relation to Kerogen Porosity von Vasileiadis, Manolis, Peristeras, Loukas D, Papavasileiou, Konstantinos D, Economou, Ioannis G

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Benchmark Database Containing Binary-System-High-Quality-Certified Data for Cross-Comparing Thermodynamic Models and Assessing Their Accuracy von Jaubert, Jean-Noël, Le Guennec, Yohann, Piña-Martinez, Andrés, Ramirez-Velez, Nicolas, Lasala, Silvia, Schmid, Bastian, Nikolaidis, Ilias K, Economou, Ioannis G, Privat, Romain

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Defining New Limits in Gas Separations Using Modified ZIF Systems von Krokidas, Panagiotis, Moncho, Salvador, Brothers, Edward N, Economou, Ioannis G

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Industrial Requirements for Thermodynamic and Transport Properties: 2020 von Kontogeorgis, Georgios M, Dohrn, Ralf, Economou, Ioannis G, de Hemptinne, Jean-Charles, ten Kate, Antoon, Kuitunen, Susanna, Mooijer, Miranda, Žilnik, Ljudmila Fele, Vesovic, Velisa

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Water–Hydrocarbon Phase Equilibria with SAFT-VR Mie Equation of State von Novak, Nefeli, Kontogeorgis, Georgios M, Castier, Marcelo, Economou, Ioannis G

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Tailoring the gas separation efficiency of metal organic framework ZIF-8 through metal substitution: a computational study von Krokidas, Panagiotis, Moncho, Salvador, Brothers, Edward N, Castier, Marcelo, Economou, Ioannis G

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Enthalpy of dissociation of methane hydrates at a wide pressure and temperature range von Tsimpanogiannis, Ioannis N., Michalis, Vasileios K., Economou, Ioannis G.

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