Molecular and mesoscopic simulation of coalescence

Molecular dynamics simulations were carried out with Lennard-Jones/spline (LJ/s) particles on a model system with two components: a fluid component and a surfactant. Monte Carlo simulations were made with a square-well model where the particles could pe netrate each other. The results show that it is feasible to simulate the stability of small dropets in a dispersion both by molecular dynamics and Monte Carlo. The stability may be examined in terms of molecular and/or droplet properties.