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Mirella Simoes Santos
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Year
Molecular Dynamics Simulation of n-Alkanes and CO2 Confined by Calcite Nanopores
MS Santos, LFM Franco, M Castier, IG Economou
Energy & Fuels 32 (2), 1934-1941, 2018
1062018
Molecular thermodynamics of micellization: micelle size distributions and geometry transitions
MS Santos, FW Tavares, EC Biscaia Jr
Brazilian Journal of Chemical Engineering 33, 515-523, 2016
412016
Quantifying Pore Width Effects on Diffusivity via a Novel 3D Stochastic Approach with Input from Atomistic Molecular Dynamics Simulations
M Apostolopoulou, MS Santos, M Hamza, T Bui, IG Economou, ...
Journal of chemical theory and computation 15 (12), 6907-6922, 2019
252019
A modified Poisson-Boltzmann equation applied to protein adsorption
M de Souza Gama, MS Santos, ER de Almeida Lima, FW Tavares, ...
Journal of Chromatography A 1531, 74-82, 2018
152018
Molecular dynamics simulation of electrolyte solutions confined by calcite mesopores
MS Santos, M Castier, IG Economou
Fluid Phase Equilibria 487, 24-32, 2019
142019
Monte Carlo Molecular Simulation Study of Carbon Dioxide Sequestration into Dry and Wet Calcite Pores Containing Methane
S Ravipati, MS Santos, IG Economou, A Galindo, G Jackson, AJ Haslam
Energy & Fuels 35 (14), 11393-11402, 2021
102021
The Contribution of the Ion–Ion and Ion–Solvent Interactions in a Molecular Thermodynamic Treatment of Electrolyte Solutions
S Kournopoulos, MS Santos, S Ravipati, AJ Haslam, G Jackson, ...
The Journal of Physical Chemistry B 126 (47), 9821-9839, 2022
92022
Effect of electrostatic correlations on micelle formation
MS Santos, EC Biscaia Jr, FW Tavares
Colloids and Surfaces A: Physicochemical and Engineering Aspects 533, 169-178, 2017
92017
Effect of ion structure on the physicochemical properties and gas absorption of surface active ionic liquids
J Ávila, D Lozano-Martín, MS Santos, Y Zhang, H Li, A Pádua, R Atkin, ...
Physical Chemistry Chemical Physics 25 (9), 6808-6816, 2023
52023
Real Electrolyte Solutions in the Functionalized Mean Spherical Approximation: A Density Functional Theory for Simple Electrolyte Solutions
EA Soares, NS Vernin, MS Santos, FW Tavares
The Journal of Physical Chemistry B 126 (32), 6095-6101, 2022
42022
Molecular Understanding of Enhanced Hydrocarbon Recovery Processes: Role of Local Self-Diffusion Coefficients of Complex Mixtures
MS Santos, M Hamza, LFM Franco, M Castier, IG Economou
Energy & Fuels 36 (15), 8301-8310, 2022
22022
Role of Catalyst Support's Physicochemical Properties on Catalytic Transfer Hydrogenation over Palladium Catalysts
G Fraga, MS Santos, M Konarova, MD Hasan, B Laycock, N Batalha, ...
ChemCatChem 13, 2021
22021
Mean-Field and Modified Poisson–Boltzmann Approaches for Modeling Electrochemical Energy Storage Systems
MS Santos
Multiscale Modeling of Electrochemical Reactions and Processes, 5-1-5-16, 2021
12021
Ionic liquids at interfaces with 2D and porous materials
A Pádua, Z Gong, MS Santos, LB Tannous, A Steinberger, R Clark, ...
Ionic Liquids and Materials–ILMAT 7, 2023
2023
Effect of Surface Chemistry on the Electrical Double Layer in a Long-Chain Ionic Liquid
L Bou Tannous, M Simoes Santos, Z Gong, PH Haumesser, A Benayad, ...
Langmuir, 2023
2023
IDEAL COMMUNITIES
IG Economou, MS Santos, M Hamza, LFM Franco, M Castier
CEP, 2023
2023
Molecular Dynamics Simulation As an Aid for Enhanced Oil and Gas Recovery in Tight and Shale Reservoirs
IG Economou, MS Santos, M Hamza, LFM Franco, M Castier
AIChE Annual Meeting, 2018
2018
TERMODINÂMICA DE MICELIZAÇÃO: DISTRIBUIÇÕES DE TAMANHO E TRANSIÇÃO ENTRE GEOMETRIAS
MS SANTOS, FW TAVARES, EC BISCAIA JR
Blucher Chemical Engineering Proceedings 1 (2), 15973-15980, 2015
2015
Entropia de fusão para substâncias graxas e biodiesel
MS Santos, FC Magalhães, EK Miyasaki, MM Garim, RM Clementin, ...
2009
Suporting Information to Real Electrolyte Solutions in the Functionalized Mean Spherical Approximation
EA Soares, NS Vernin, MS Santos, FW Tavares
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Articles 1–20