Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2004-11-10
Physics
Condensed Matter
Soft Condensed Matter
Scientific paper
10.1103/PhysRevE.72.041801
We present a lattice formulation of a dynamic self-consistent field (DSCF) theory that is capable of resolving interfacial structure, dynamics and rheology in inhomogeneous, compressible melts and blends of unentangled homopolymer chains. The joint probability distribution of all the Kuhn segments in the fluid, interacting with adjacent segments and walls, is approximated by a product of one-body probabilities for free segments interacting solely with an external potential field that is determined self-consistently. The effect of flow on ideal chain conformations is modeled with FENE-P dumbbells, and related to stepping probabilities in a random walk. Free segment and stepping probabilities generate statistical weights for chain conformations in a self-consistent field, and determine local volume fractions of chain segments. Flux balance across unit lattice cells yields mean-field transport equations for the evolution of free segment probabilities and of momentum densities on the Kuhn length scale. Diffusive and viscous contributions to the fluxes arise from segmental hops modeled as a Markov process, with transition rates reflecting changes in segmental interaction, kinetic energy, and entropic contributions to the free energy under flow.
Lo Tak Shing
Mihajlovic Maja
Shnidman Yitzhak
No associations
LandOfFree
Dynamic Self-Consistent Field Theory for Unentangled Homopolymer Fluids does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Dynamic Self-Consistent Field Theory for Unentangled Homopolymer Fluids, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Dynamic Self-Consistent Field Theory for Unentangled Homopolymer Fluids will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-273689