Seguir
Othonas Moultos
Othonas Moultos
Assistant Professor at TU Delft, Eng. Thermodynamics, Process & Energy, 3mE
Email confirmado em tudelft.nl - Página inicial
Título
Citado por
Citado por
Ano
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
892019
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
892018
System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO2, n-alkanes, and poly(ethylene glycol …
OA Moultos, Y Zhang, IN Tsimpanogiannis, IG Economou, EJ Maginn
The Journal of Chemical Physics 145 (7), 074109, 2016
862016
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
772014
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
572015
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), 234507, 2014
572014
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
482019
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
462016
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
432021
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
412019
Self-diffusion coefficients of the binary (H2O+ CO2) mixture at high temperatures and pressures
OA Moultos, IN Tsimpanogiannis, AZ Panagiotopoulos, IG Economou
the Journal of Chemical thermodynamics 93, 424-429, 2016
402016
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
382019
Molecular dynamics simulations of the diffusion coefficients of light n-alkanes in water over a wide range of temperature and pressure
VK Michalis, OA Moultos, IN Tsimpanogiannis, IG Economou
Fluid Phase Equilibria 407, 236-242, 2016
382016
Brownian dynamics simulations on the self-assembly behavior of AB hybrid dendritic− star copolymers
C Georgiadis, O Moultos, LN Gergidis, C Vlahos
Langmuir 27 (2), 835-842, 2011
352011
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
332020
Hydrogen-bonding polarizable intermolecular potential model for water
H Jiang, OA Moultos, IG Economou, AZ Panagiotopoulos
The Journal of Physical Chemistry B 120 (48), 12358-12370, 2016
322016
Predictions of water/oil interfacial tension at elevated temperatures and pressures: A molecular dynamics simulation study with biomolecular force fields
KD Papavasileiou, OA Moultos, IG Economou
Fluid Phase Equilibria 476, 30-38, 2018
302018
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
292018
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), 024501, 2020
282020
Gaussian-Charge Polarizable and Nonpolarizable Models for CO2
H Jiang, OA Moultos, IG Economou, AZ Panagiotopoulos
The Journal of Physical Chemistry B 120 (5), 984-994, 2016
282016
O sistema não pode efectuar a operação agora. Tente novamente mais tarde.
Artigos 1–20