Polymers Melts and Blends

Heine, D. R., Grest, G. S. and Curro,J. G. Structure of Polymer Melts and Blends Comparison of Integral Equation theory and Computer Sumulation. Vol. 173, pp. 209-249. 

Fluorescence anisotropy studies are popular in biological and biochemical research of lipid membranes [16-18], proteins [19-22], etc. and also in polymer science. They have been performed for monitoring the conformations and flexibility of polymer chains in dilute, semidilute and concentrated solutions [23-27], in polymer melts and blends [28-31], and also for studying polymer self-assembly [32-34]. Nowadays, steady-state and time-resolved fluorescence anisotropy are currently used methods in polymer chemistry. 

The DPD was originally developed by Hoogerbragge and Koelman [27]. It can simulate both Newtonian and non-Newtonian flnids, including polymer melts and blends, on microscopic length and time scales. Like MD and BD, DPD is a particle-based method. However, its basic unit is not a single atom or molecttle but a molecrrlar assembly (i.e., a particle). The DPD particles are defined by their trrass position, ... 

Important morphological parameters such as the long period (I), crystal thickness (Ic), and amorphous layer thickness (la) of semipolymer melts and blends can be determined using SAXS via two different approaches. In the first approach, standard models such as the Hosemarm-Tsvankin [23] and the Vonk-Kortleve [24,25] for lamellar stacks are fitted to data obtained for the SAXS profile. The second approach is based on performing a Fourier transform for the SAXS profile to produce a one-dimensional correlation function, y(z) (which is Fourier transform of the measured I(q) in SAXS) or an interphase distribution function (IDF) in real space. 

For some problems, however, the shortness of the chains is still a limitation, as well as the lattice structure (which prevents the study of critical dynamics, later stages of spinodal decomposition, etc., where the fluid nature of real polymer melts and blends is essential). While future work could clearly address questions such as mixtures of block copolymers and homopolymers, asymmetry effects (different stiffness of chains, etc.) and interfacial structure, one needs to develop complementary molecular dynamics methods for the study of dynamical phenomena in mixtures and block copolymer melts. 

Monte Carlo Simulations for Complex Fluids Monte Carlo Simulations for Liquids Polymer Brushes Polymers Melts and Blends. 

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