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…
Methane hydrate nucleation frustration and dimensional reduction of structural order under nanoconfinement
Jose Torres-Arenas, Ãngel M. Fernández-Fernández, MartÃn Pérez-RodrÃguez +1
Methane hydrate nucleation under nanoconfinement remains poorly understood due to the complex interplay between geometric restriction and molecular ordering. Here, we investigate t…
Simulation of the THF hydrate-water interfacial free energy from computer simulation
Miguel J. Torrejón, Cristóbal Romero-Guzmán, Manuel M. Piñeiro +2
In this work, the tetrahydrofuran (THF) hydrate-water interfacial free energy is determined at , at one point of the univariant two-phase coexistence line of the T…