3 papers
cond-mat.stat-mech2024
Dielectric and Structural Study of Water with Various NaCl Concentrations via Molecular Dynamics
Raúl Fuentes-Azcatl
Specifically, we examine concentrations from [NaCl]=1m to [NaCl]=6m, where 6.1m represents the solubility threshold of NaCl in H2O. For the water model, we employ the flexible TIP4…
cond-mat.mtrl-sci2021
Dielectric behavior of Water in [bmim] [Tf 2 N] room-temperature Ionic Liquid, molecular dynamic study
Raúl Fuentes-Azcatl, Gabriel J. C. Araujo, Tuanan C. Lourenço +3
In this work we present the dielectric behavior of water with a novel flexible model that improved all three sites water models Different concentrations of the ionic liquid 1- buty…
physics.atom-ph2019
Prediction of experimental properties of CO , improving actual force fields
Raul Fuentes-Azcatl, Hector Dominguez
Most of the existing classical CO models fail to reproduce some or many experimental properties such as surface tension, vapor pressure, density and dielectric constant at diff…