J.G E M Fraaije

TL;DR: In this article, a new generalized time-dependent Ginzburg-Landau theory for the numerical calculation of polymer phase separation kinetics in 3D is discussed, where the thermodynamic forces are obtained by a mean-field density functional method, using a Gaussian chain as a molecular model.

TL;DR: In this article, the authors describe a numerical method for the calculation of collective diffusion relaxation mechanisms in quenched block copolymer melts, which entails the repeated calculation of two opposing fields, an external potential field U, conjugate to the density field ρ, and an energetic interaction field E. When the two fields are balanced U=E, they recover the self-consistent field solutions; when they are off balance, the spatial gradient of E-U is the thermodynamic force which drives the collective diffusion.

TL;DR: In this paper, the authors simulate the microphase separation dynamics of aqueous solutions of the triblock polymer surfactants (ethylene oxide)13(propylene oxide)30(ethylene oxoxide)13 and (propylene oxide)19(methylene oxide),33(probylene oxoxide,propylene polyoxide,33(propane oxide)19) by a dynamic variant of mean-field density functional theory for Gaussian chains.

TL;DR: In this article, non-local kinetic coupling is applied to the dynamic mean-field density functional method, derived from generalized time-dependent Ginzburg-Landau theory, which was previously simulated using a local coupling approximation.

TL;DR: In this paper, three-dimensional simulations of meso-phase formation in block copolymer melts under simple steady shear are performed in the framework of dynamic density functional theory.