Journal of Chemical Physics, Vol.106, No.10, 4260-4269, 1997
The Dynamic Mean-Field Density-Functional Method and Its Application to the Mesoscopic Dynamics of Quenched Block-Copolymer Melts
In this paper we discuss a new generalized time-dependent Ginzburg-Landau theory for the numerical calculation of polymer phase separation kinetics in 3D. The thermodynamic forces are obtained by a mean-field density functional method, using a Gaussian chain as a molecular model. The method is especially aimed at describing the formation kinetics of the irregular morphologies which are typical for many industrial systems. As proof of concept we present the formation of irregular morphologies in quenched symmetric and asymmetric block copolymer melts.
Keywords:MICROPHASE SEPARATION;SPINODAL DECOMPOSITION;POLYMER BLENDS;PHASE-TRANSITIONS;UNSTABLE PHASES;FLUCTUATIONS;MIXTURES;DOMAINS