Molecular simulations of solid-liquid interfacial tension of silicon.

Long Range Corrections to the Vapor-Liquid Equilibrium and Surface Tension of Methane with NVT Molecular Dynamics Simulations

Molecular simulations of liquid-liquid interfacial properties: water-n-alkane and water-methanol-n-alkane systems.

Direct molecular dynamics simulations of the liquid-liquid interface of water-n-alkane and water-methanol-n-alkane systems have been performed in order to study the interfacial properties of these systems. The simulations were carried out using the NERD revised force field of Nath et al. for the n-alkanes, the simple point charge extended model for water, and the optimized potential for liquid ...

Infiltration of liquid metals in a nanoporous carbon

Gallium and mercury are employed as liquid phases in a nanoporous carbonbased energy absorption system. Owing to the large surface tensions, the nanopore surface is non-wettable. Pressure-induced infiltration is observed and defiltration is difficult. The energy absorption efficiency is much higher than that of previously investigated nanoporous silica-based systems. The nominal solid–liquid in...

Gas-liquid phase separation in oppositely charged colloids: stability and interfacial tension.

We study the phase behavior and the interfacial tension of the screened Coulomb (Yukawa) restricted primitive model (YRPM) of oppositely charged hard spheres with diameter sigma using Monte Carlo simulations. We determine the gas-liquid and gas-solid phase transitions using free energy calculations and grand-canonical Monte Carlo simulations for varying inverse Debye screening length kappa. We ...

Biosurfactants and Bioemulsifiers Biomedical and Related Applications – Present Status and Future Potentials

Many microorganisms are able to produce a wide range of amphipathic compounds, with both hydrophilic and hydrophobic moieties present within the same molecule which allow them to exhibit surface activities at interfaces and are generally called biosurfactants or bioemulsifiers. These surface-active compounds (SAC) are mainly classified according to their mode of action, molecular weight and gen...