Density Functional Theory for Block Copolymer Melts and Blends
نویسندگان
چکیده
We derive an expression for the free energy of the blends of block copolymers expressed as a functional of the density distribution of the monomer of each block. The expression is a generalization of the Flory-Huggins-de Gennes theory for homo polymer blends, and also a generalization of the Ohta-Kawasaki theory for the melts of diblock copolymers. The expression can be used for any blends of homopolymers and block copolymers of any topological structure. The expression gives a fast and stable computational method to calculate the micro and macro phase separation of the blends of homopolymers and block copolymers.
منابع مشابه
Diblock Copolymer / Homopolymer Blends: Derivation of a Density Functional Theory
Melts of diblock copolymer / homopolymer blends exhibit multiscale phase separation: (i) macrophase separation into homopolymerand copolymer-rich macrodomains followed by (ii) microphase separation into Aand B-rich microdomains within the copolymer-rich macrodomains (cf. [16, 17, 26]). Following our previous derivation in [6], we derive a density functional theory for blends. This theory has be...
متن کاملHybrid Dynamic Density Functional Theory for Polymer Melts and Blends
We propose a high-speed and accurate hybrid dynamic density functional theory for the computer simulations of the phase separation processes of polymer melts and blends. The proposed theory is a combination of the dynamic self-consistent field (SCF) theory and a time-dependent Ginzburg-Landau type theory with the random phase approximation (GRPA). The SCF theory is known to be accurate in evalu...
متن کاملWell Ordered Polymer Melts from Blends of Disordered Triblock Copolymer Surfactants and Functional Homopolymers
Microphase segregated block copolymer melts and solids have long garnered significant scientific interest due to their ability to spontaneously form periodic morphologies at controllable length scales. Their utility as stand-alone nanostructured functional materials or as templates for the fabrication of hierarchical solids is well documented. However, their deployment in large scale applicatio...
متن کاملWell-Ordered Polymer Melts with 5 nm Lamellar Domains from Blends of a Disordered Block Copolymer and a Selectively Associating Homopolymer of Low or High Molar Mass
The use of short chain block copolymer melts as nanostructured templates with sub-10 nm domains is often limited by their low segregation strength ( N). Since increasing molar mass to strengthen segregation also increases the interdomain spacing of block copolymer melts, it is more desirable to increase the Flory-Huggins segment-segment interaction parameter, , to produce strong segregation. We...
متن کاملHydrodynamic self-consistent field theory for inhomogeneous polymer melts.
We introduce a mesoscale technique for simulating the structure and rheology of block-copolymer melts and blends in hydrodynamic flows. The technique couples dynamic self-consistent field theory with continuum hydrodynamics and flow penalization to simulate polymeric fluid flows in channels of arbitrary geometry. We demonstrate the method by studying phase separation of an ABC triblock copolyme...
متن کامل