tailieunhanh - Branched Polymers II Episode 2

Tham khảo tài liệu 'branched polymers ii episode 2', kỹ thuật - công nghệ, cơ khí - chế tạo máy phục vụ nhu cầu học tập, nghiên cứu và làm việc hiệu quả | Conformational Properties of Branched Polymers Theory and Simulations Juan J. Freire Departamento de Química Fisica Facultad de Ciencias Químicas Universidad Com-plutense 28040 Madrid Spain E-mail juan@ 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. Keywords. Simulation Branched Conformational Polymers List of Symbols and Abbreviations. 36 1 Introduction. 39 2 Theoretical Background. 43 Structure. 43 Hydrodynamic Properties. 56 Dynamics . 62 3 Simulation Models and Methods. 66 Monte Carlo . 66 Lattice Algorithms. 67 Off-Lattice Models. 70 Upper and Lower Bounds of Hydrodynamic Properties. 72 Dynamic Monte Carlo . 72 Molecular Dynamics . 73 Brownian Dynamics . 73 Advances in Polymer

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