336 citations · 2.3k across the 30 of their papers we have counts for
17 papers · 1 filter
Solubility of carbon dioxide in water: some useful results for hydrate nucleation
Jesús Algaba, Iván M. Zerón, José Manuel Míguez +5
In this paper, the solubility of carbon dioxide (CO) in water along the isobar of 400 bar is determined by computer simulations using the well-known TIP4P/Ice force field for…
Interfacial free energy and Tolman length of curved liquid-solid interfaces from equilibrium studies
P. Montero de Hijes, Jorge. R. Espinosa, Valentino Bianco +2
In this work, we study by means of simulations of hard spheres the equilibrium between a spherical solid cluster and the fluid. In the NVT ensemble we observe stable/metastable clu…
Heterogeneous versus homogeneous crystal nucleation in hard spheres
Jorge R. Espinosa, Carlos Vega, Chantal Valeriani +2
Hard-sphere model systems are well-suited in both experiment and simulations to investigate fundamental aspects of the crystallization of fluids. In experiments on colloidal models…
Equivalence between condensation and boiling in a Lennard Jones fluid
I. Sanchez-Burgos, P. Montero de Hijes, P. Rosales-Pelaez +2
Condensation and boiling are phase transitions highly relevant to industry, geology or atmospheric science. These phase transitions are initiated by the nucleation of a drop in a s…
Homogeneous Ice Nucleation Rate in Water Droplets
Jorge R. Espinosa, Carlos Vega, Eduardo Sanz
To predict the radiative forcing of clouds it is necessary to know the rate with which ice homogeneously nucleates in supercooled water. Such rate is often measured in drops to avo…
Seeding Approach to Bubble Nucleation in Superheated Lennard Jones Fluids
Pablo Rosales-Pelaez, Marta Irene Garcia-Cid, Chantal Valeriani +2
We investigate vapor homogeneous nucleation in a superheated Lennard Jones liquid with computer simulations. Special simulation techniques are required to address this study since…