We present an application of the cooperative motion algorithm (CMA) to ramified polymers. As a model for so-called comb polymers, we consider a main chain of fixed length to which a various number of side chains of different lengths are anchored. The effect of the molecular architecture on the side and on the main chain is investigated. We consider the two-and the three-dimensional case and compare numerical results obtained in dense melts and dilute solutions. The results show a strong influence of the molecular structure on the properties of the main chain. Initially Gaussian chains stretch and become non-Gaussian and non-Markovian. The side chains remain randomly coiled in threedimensional melts and stretch slightly in two dimensions and in three dimensional solutions.
SUMMARYIn this paper we review some applications of the cooperative-motion simulation algorithm to dense polymer melts. The basic idea behind the algorithm and its implementation on a computer are discussed. Furthermore we show how to include intra-and intermolecular interactions in the simulation. Exemplary results are presented concerning on one hand the static properties of athermal and semiflexible lattice polymers and on the other hand the phase behaviour of polymer mixtures and diblock copolymers.
We present computer simulations of dense polymer mixtures composed of flexible and semiflexible chains. It is found that a demixing transition takes place below a certain degree of flexibility, even without introducing repelling interactions between the two polymers except the excluded volume condition. Computing the equilibrium concentration of phases for various temperatures, a phase diagram for the binary mixture is found. The results show qualitative agreement with the Flory lattice theory of stiff chains.
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