Next Article in Journal
Fabrication of a Polycaprolactone/Alginate Bipartite Hybrid Scaffold for Osteochondral Tissue Using a Three-Dimensional Bioprinting System
Next Article in Special Issue
Forward Flux Sampling of Polymer Desorption Paths from a Solid Surface into Dilute Solution
Previous Article in Journal
Stereocomplexation of Poly(lactic acid) and Chemical Crosslinking of Ethylene Glycol Dimethacrylate (EGDMA) Double-Crosslinked Temperature/pH Dual Responsive Hydrogels
Previous Article in Special Issue
A Microscopically Motivated Model for Particle Penetration into Swollen Biological Networks
Open AccessArticle

Dynamic Self-Consistent Field Approach for Studying Kinetic Processes in Multiblock Copolymer Melts

Institut für Physik, Johannes Gutenberg-Universität Mainz, D 55099 Mainz, Germany
*
Author to whom correspondence should be addressed.
Polymers 2020, 12(10), 2205; https://doi.org/10.3390/polym12102205
Received: 2 September 2020 / Revised: 21 September 2020 / Accepted: 22 September 2020 / Published: 25 September 2020
(This article belongs to the Special Issue Theory of Polymers at Interfaces)
The self-consistent field theory is a popular and highly successful theoretical framework for studying equilibrium (co)polymer systems at the mesoscopic level. Dynamic density functionals allow one to use this framework for studying dynamical processes in the diffusive, non-inertial regime. The central quantity in these approaches is the mobility function, which describes the effect of chain connectivity on the nonlocal response of monomers to thermodynamic driving fields. In a recent study, one of us and coworkers have developed a method to systematically construct mobility functions from reference fine-grained simulations. Here we focus on melts of linear chains in the Rouse regime and show how the mobility functions can be calculated semi-analytically for multiblock copolymers with arbitrary sequences without resorting to simulations. In this context, an accurate approximate expression for the single-chain dynamic structure factor is derived. Several limiting regimes are discussed. Then we apply the resulting density functional theory to study ordering processes in a two-length scale block copolymer system after instantaneous quenches into the ordered phase. Different dynamical regimes in the ordering process are identified: at early times, the ordering on short scales dominates; at late times, the ordering on larger scales takes over. For large quench depths, the system does not necessarily relax into the true equilibrium state. Our density functional approach could be used for the computer-assisted design of quenching protocols in order to create novel nonequilibrium materials. View Full-Text
Keywords: dynamic density functional theory; single chain structure factor; multiblock copolymers; two-length scale copolymers; ordering kinetics dynamic density functional theory; single chain structure factor; multiblock copolymers; two-length scale copolymers; ordering kinetics
Show Figures

Figure 1

MDPI and ACS Style

Schmid, F.; Li, B. Dynamic Self-Consistent Field Approach for Studying Kinetic Processes in Multiblock Copolymer Melts. Polymers 2020, 12, 2205. https://doi.org/10.3390/polym12102205

AMA Style

Schmid F, Li B. Dynamic Self-Consistent Field Approach for Studying Kinetic Processes in Multiblock Copolymer Melts. Polymers. 2020; 12(10):2205. https://doi.org/10.3390/polym12102205

Chicago/Turabian Style

Schmid, Friederike; Li, Bing. 2020. "Dynamic Self-Consistent Field Approach for Studying Kinetic Processes in Multiblock Copolymer Melts" Polymers 12, no. 10: 2205. https://doi.org/10.3390/polym12102205

Find Other Styles
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map by Country/Region

1
Search more from Scilit
 
Search
Back to TopTop