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Conformational Properties of Branched Polymers: Theory and Simulations

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Branched Polymers II

Part of the book series: Advances in Polymer Science ((POLYMER,volume 143))

Abstract

The prediction and interpretation of conformational properties of branched polymers is difficult, due to the complexity and variety of these structures. Numerical simulations are, consequently, very useful in the investigation of these systems. This review describes the application of numerical simulation techniques to relevant theoretical problems concerning branched polymer systems, taking also into account the related experimental data. Monte Carlo, Molecular Dynamics and Brownian Dynamics methods are employed to simulate the equilibrium and dynamic behavior, and also to reproduce hydrodynamic properties. The simulations are performed on several polymer models. Thus, different Monte Carlo algorithms have been devised for lattice and off-lattice models. Moreover, Molecular Dynamics and Brownian Dynamics can be carried out for detailed atomic or coarse-grained chains. A great amount of investigation has been engaged in the understanding of uniform homopolymer stars as single chains, or in non-diluted solutions and melts, employing this variety of techniques, models and properties. However, other important structures, such as stars with different types of monomer units, combs, brushes, dendrimers and absorbed branched polymers have also been the subject of specific simulation studies.

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Authors and Affiliations

  1. Departamento de Química Física, Facultad de Ciencias Químicas, Universidad Complutense, 28040, Madrid, Spain

    Juan J. Freire

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  1. Juan J. Freire
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  1. Institute for Chemical Process and Environmental Technology, National Research Council Canada, Ottawa, Ontario, K1A 0R6, Canada

    J. Roovers

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© 1999 Springer-Verlag Berlin Heidelberg

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Freire, J.J. (1999). Conformational Properties of Branched Polymers: Theory and Simulations. In: Roovers, J. (eds) Branched Polymers II. Advances in Polymer Science, vol 143. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-49780-3_2

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  • DOI: https://doi.org/10.1007/3-540-49780-3_2

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