Complex Networks in Phase-Separating Gels. A Computer Simulation Study

The mesoscopic phase separation in two- and three-dimensional gels has been studied by computer simulation of a bead-spring model of Lennard-Jones particles. The formation of complex networks of high density phase (HDP) has been investigated and partially explained with competing short- and long-range energies. HDP network formation was found to occur at certain combinations of temperature and spring coefficient, given sufficient particle density. The morphology of the HDP networks changed with these three parameters. HDP networks became more faceted with higher spring coefficients, wider but less dense at higher temperatures and more voluminous and compact at larger densities. HDP network formation was preceded by a stage of HDP precipitation and followed by a stage of surface minimization.