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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 [Mantha et al, Macromolecules 53, 3409 (2020)], we 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.
We have used the Scheutjens-Fleer self-consistent field (SF-SCF) method to predict the self-assembly of triblock copolymers with a solvophilic middle block and sufficiently long solvophobic outer blocks. We model copolymers consisting of polyethylene
Simulations of five different coarse-grained models of symmetric diblock copolymer melts are compared to demonstrate a universal (i.e., model-independent) dependence of the free energy on the invariant degree of polymerization $overline{N}$, and to s
Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these effects i
Multiblock copolymer chains in implicit nonselective solvents are studied by Monte Carlo method which employs a parallel tempering algorithm. Chains consisting of 120 $A$ and 120 $B$ monomers, arranged in three distinct microarchitectures: $(10-10)_{
The interaction force between likely charged particles/surfaces is usually repulsive due to the Coulomb interaction. However, the counterintuitive like-charge attraction in electrolytes has been frequently observed in experiments, which has been theo