Renormalization of the one-loop theory of fluctuations in polymer blends and diblock copolymer melts.
نویسندگان
چکیده
Attempts to use coarse-grained molecular theories to calculate corrections to the random-phase approximation (RPA) for correlations in polymer mixtures have been plagued by an unwanted sensitivity to the value of an arbitrary cutoff length, i.e., by an ultraviolet (UV) divergence. We analyze the UV divergence of the inverse structure factor S(-1)(k) predicted by a "one-loop" approximation similar to that used in several previous studies. We consider both miscible homopolymer blends and disordered diblock copolymer melts. We show, in both cases, that all UV divergent contributions can be absorbed into a renormalization of the values of the phenomenological parameters of a generalized self-consistent field theory (SCFT). This observation allows the construction of an UV convergent theory of corrections to SCFT phenomenology. The UV-divergent one-loop contribution to S(-1)(k) is shown to be the sum of (i) a k -independent contribution that arises from a renormalization of the effective chi parameter, (ii) a k-dependent contribution that arises from a renormalization of monomer statistical segment lengths, (iii) a contribution proportional to k(2) that arises from a square-gradient contribution to the one-loop fluctuation free energy, and (iv) a k-dependent contribution that is inversely proportional to the degree of polymerization, which arises from local perturbations in fluid structure near chain ends and near junctions between blocks in 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 کاملDensity Functional Theory for Block Copolymer Melts and Blends
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 h...
متن کاملFluctuations in symmetric diblock copolymers: testing theories old and new.
Computer simulations are used to study composition fluctuations in disordered diblock copolymer melts over a range of values of the chain length N, and test several theories for the structure factor S(q). Specifically, we test the random-phase approximation (RPA), which is based on a self-consistent field treatment of fluctuations, the Fredrickson-Helfand theory, which was designed to describe ...
متن کاملFluctuation Effects in Semiflexible Diblock Copolymers
We present a simulation study of the equilibrium thermodynamic behavior of semiflexible diblock copolymer melts. Using discretized wormlike chains and field-theoretic Monte Carlo, we find that concentration fluctuations play a critical role in controlling phase transitions of semiflexible diblock copolymers. Polymer flexibility and aspect ratio control the order− disorder transition Flory−Huggi...
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 کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Physical review. E, Statistical, nonlinear, and soft matter physics
دوره 76 6 Pt 1 شماره
صفحات -
تاریخ انتشار 2007