28 citations · 31 across the 3 of their papers we have counts for
3 papers
Structural and dynamical behavior of methane-water systems under nanoconfinement
José Torres-Arenas, Ángel M. Fernández-Fernández, Martín Pérez-Rodríguez +1
We investigate the structural and dynamical behavior of methane water systems under nanoconfinement using molecular dynamics simulations across pore widths from 1 to 5 nm. Structur…
Molecular simulation of methane hydrate growth confined into a silica pore
Ángel M. Fernández-Fernández, María M. Conde, Germán Pérez-Sánchez +2
The growth of a methane hydrate seed within a silica slit pore of fixed width has been studied using AllAtom Molecular Dynamics (AA-MD). An AA force field has been used to describe…
On the interfacial properties of hydroquinone: realistic and coarse-grained molecular models from computer simulation
M. J. Torrejón, B. Rodríguez García, J. Algaba +6
In this work, we determine the vapor-liquid (VL) coexistence and interfacial properties of the hydroquinone (HQ) pure system from molecular dynamics simulations. We employ th…