Mirella Simões Santos

Molecular Dynamics Simulation of<i>n</i>-Alkanes and CO₂Confined by Calcite Nanopores

Mirella Simões Santos, Luís Fernando Mercier Franco, Marcelo Castier et al. · Energy & Fuels · 2018 · 133 citations

Engineering, Computational Chemistry, Chemistry +18

MOLECULAR THERMODYNAMICS OF MICELLIZATION: MICELLE SIZE DISTRIBUTIONS AND GEOMETRY TRANSITIONS

Mirella Simões Santos, Frederico W. Tavares, Evaristo C. Biscaia · Brazilian Journal of Chemical Engineering · 2016 · 36 citations · Full text

Engineering, Molecular Biology, Micelle Shape +16

Quantifying Pore Width Effects on Diffusivity via a Novel 3D Stochastic Approach with Input from Atomistic Molecular Dynamics Simulations

Maria Apostolopoulou, Mirella Simões Santos, Muhammad Hamza et al. · Journal of Chemical Theory and Computation · 2019 · 28 citations · Full text

The Contribution of the Ion–Ion and Ion–Solvent Interactions in a Molecular Thermodynamic Treatment of Electrolyte Solutions

Spiros Kournopoulos, Mirella Simões Santos, Srikanth Ravipati et al. · The Journal of Physical Chemistry B · 2022 · 23 citations · Full text

Born Radius, Engineering, Electrolyte Solutions +20

Molecular dynamics simulation of electrolyte solutions confined by calcite mesopores

Mirella Simões Santos, Marcelo Castier, Ioannis G. Economou · Fluid Phase Equilibria · 2019 · 22 citations

Engineering, Electrode-electrolyte Interface, Fundamental Electrochemistry +9