Othonas A. Moultos

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Thijs VlugtProfessor and Chair Engineering ThermodynamicsAdresse e-mail validée de tudelft.nl
Ioannis G. EconomouProfessor of Chemical Engineering, Texas A&M University at Qatar, DohaAdresse e-mail validée de qatar.tamu.edu
Mahinder RamdinAssistant Professor at TU Delft, ME, Process & Energy, Eng. ThermodynamicsAdresse e-mail validée de tudelft.nl
Ioannis N. TsimpanogiannisCentre for Research & Technology Hellas (CERTH), Chemical Process & Energy Resources InstituteAdresse e-mail validée de certh.gr
Athanassios Z PanagiotopoulosSusan Dod Brown Professor of Chemical and Biological Engineering, Princeton Univ.Adresse e-mail validée de princeton.edu
Poulumi DeyAssociate Professor, Delft University of TechnologyAdresse e-mail validée de tudelft.nl
David DubbeldamUniversity of AmsterdamAdresse e-mail validée de uva.nl
Andre BardowProfessor of Energy & Process Systems Engineering, ETH ZurichAdresse e-mail validée de ethz.ch
Costas H. Vlahosuniversity of ioanninaAdresse e-mail validée de uoi.gr
Frédérick de MeyerTotalEnergies S.E. Low Carbon SolutionsAdresse e-mail validée de totalenergies.com
Luis Fernando Mercier FrancoAssociate Professor, School of Chemical Engineering, University of CampinasAdresse e-mail validée de feq.unicamp.br
Fulong NingChina University of GeosciencesAdresse e-mail validée de cug.edu.cn
J. P. Martin TruslerProfessor of Thermophysics, Imperial College LondonAdresse e-mail validée de imperial.ac.uk
Hadi HajibeygiProfessor of Geo-Energy Solid & Fluid Mechanics, TU DelftAdresse e-mail validée de tudelft.nl
Pr. Christophe CoqueletIMT Mines Albi - Centre RAPSODEE (CNRS UMR 5302) - Mines ParisAdresse e-mail validée de mines-albi.fr
Gustavo A. OrozcoAssociate Professor, Chem. Eng. Dpt, Universidad Nacional de ColombiaAdresse e-mail validée de unal.edu.co
Carlos Vega (ORCID:0000-0002-2417...Professor of Physical Chemistry, Universidad Complutense de MadridAdresse e-mail validée de ucm.es
Edward MaginnChemical Engineering, University of Notre DameAdresse e-mail validée de nd.edu
Signe KjelstrupNorwegian University of Science and TechnologyAdresse e-mail validée de ntnu.no
Dick BedeauxHoogleraar Fysische Chemie, Norwegian University of Science and TechnologyAdresse e-mail validée de chem.ntnu.no

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Othonas A. Moultos

Associate Professor, Mechanical Engineering, TU Delft

Adresse e-mail validée de tudelft.nl - Page d'accueil

Engineering Thermodynamics Molecular Simulation Polymers Thermodynamic and Transport Properties


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
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	201	2019
Finite-size effects of binary mutual diffusion coefficients from molecular dynamics SH Jamali, L Wolff, TM Becker, A Bardow, TJH Vlugt, OA Moultos Journal of chemical theory and computation 14 (5), 2667-2677, 2018	166	2018
Finite-size effects of diffusion coefficients computed from molecular dynamics: a review of what we have learned so far AT Celebi, SH Jamali, A Bardow, TJH Vlugt, OA Moultos Molecular Simulation 47 (10-11), 831-845, 2021	140	2021
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	136	2016
Atomistic Molecular Dynamics Simulations of CO₂ Diffusivity in H₂O for a Wide Range of Temperatures and Pressures OA Moultos, IN Tsimpanogiannis, AZ Panagiotopoulos, IG Economou The Journal of Physical Chemistry B 118 (20), 5532-5541, 2014	108	2014
Structural, thermodynamic, and transport properties of aqueous reline and ethaline solutions from molecular dynamics simulations AT Celebi, TJH Vlugt, OA Moultos The Journal of Physical Chemistry B 123 (51), 11014-11025, 2019	107	2019
OCTP: A Tool for On-the-Fly Calculation of Transport Properties of Fluids with the Order-n Algorithm in LAMMPS SH Jamali, L Wolff, TM Becker, M De Groen, M Ramdin, R Hartkamp, ... Journal of chemical information and modeling 59 (4), 1290-1294, 2019	99	2019
The adsorption mechanisms of organic micropollutants on high-silica zeolites causing S-shaped adsorption isotherms: An experimental and Monte Carlo simulation study N Jiang, M Erdős, OA Moultos, R Shang, TJH Vlugt, SGJ Heijman, ... Chemical Engineering Journal 389, 123968, 2020	83	2020
Electroreduction of CO₂/CO to C₂ Products: Process Modeling, Downstream Separation, System Integration, and Economic Analysis M Ramdin, B De Mot, ART Morrison, T Breugelmans, ... Industrial & engineering chemistry research 60 (49), 17862-17880, 2021	77	2021
Thermodynamic and Transport Properties of H₂O + NaCl from Polarizable Force Fields H Jiang, Z Mester, OA Moultos, IG Economou, AZ Panagiotopoulos Journal of chemical theory and computation 11 (8), 3802-3810, 2015	77	2015
Molecular simulation of thermodynamic and transport properties for the H2O+ NaCl system GA Orozco, OA Moultos, H Jiang, IG Economou, AZ Panagiotopoulos The Journal of chemical physics 141 (23), 2014	77	2014
Solubility of water in hydrogen at high pressures: a molecular simulation study A Rahbari, J Brenkman, R Hens, M Ramdin, LJP Van Den Broeke, ... Journal of Chemical & Engineering Data 64 (9), 4103-4115, 2019	75	2019
Atomistic Molecular Dynamics Simulations of Carbon Dioxide Diffusivity in n-Hexane, n-Decane, n-Hexadecane, Cyclohexane, and Squalane OA Moultos, IN Tsimpanogiannis, AZ Panagiotopoulos, JPM Trusler, ... The Journal of Physical Chemistry B 120 (50), 12890-12900, 2016	72	2016
Reversible hydrogen storage in metal-decorated honeycomb borophene oxide P Habibi, TJH Vlugt, P Dey, OA Moultos ACS applied materials & interfaces 13 (36), 43233-43240, 2021	65	2021
Computing solubility parameters of deep eutectic solvents from Molecular Dynamics simulations HS Salehi, M Ramdin, OA Moultos, TJH Vlugt Fluid Phase Equilibria 497, 10-18, 2019	65	2019
Shear viscosity computed from the finite-size effects of self-diffusivity in equilibrium molecular dynamics SH Jamali, R Hartkamp, C Bardas, J Söhl, TJH Vlugt, OA Moultos Journal of chemical theory and computation 14 (11), 5959-5968, 2018	64	2018
On the transferability of ion parameters to the TIP4P/2005 water model using molecular dynamics simulations MF Döpke, OA Moultos, R Hartkamp The Journal of chemical physics 152 (2), 2020	62	2020
Generalized form for finite-size corrections in mutual diffusion coefficients of multicomponent mixtures obtained from equilibrium molecular dynamics simulation SH Jamali, A Bardow, TJH Vlugt, OA Moultos Journal of chemical theory and computation 16 (6), 3799-3806, 2020	61	2020
Interfacial tensions, solubilities, and transport properties of the H2/H2O/NaCl system: A molecular simulation study WA Van Rooijen, P Habibi, K Xu, P Dey, TJH Vlugt, H Hajibeygi, ... Journal of Chemical & Engineering Data 69 (2), 307-319, 2024	60	2024
Recent advances in the continuous fractional component Monte Carlo methodology A Rahbari, R Hens, M Ramdin, OA Moultos, D Dubbeldam, TJH Vlugt Molecular Simulation 47 (10-11), 804-823, 2021	58	2021

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