Dissertation > Mathematical sciences and chemical > Chemistry > Polymer chemistry ( polymer ) > Polymer physics and physical chemistry of polymers > The chemical nature of polymers

Off-lattice Monte Carlo Simulation for the Conformation of Block Polymer

Author LiuLiFang
Tutor WangHaiJun
School Hebei University
Course Polymer Chemistry and Physics
Keywords Non - lattice Monte Carlo simulation Conformation Block polymer chain Star polymer
CLC O631.3
Type Master's thesis
Year 2009
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The conformation of the polymer chain refers to the spatial structure of the polymer is determined by the relative position of the polymer chain unit . Many of the properties of the polymer are closely related to this , so the study of the conformation of the polymer chain has become one of the most basic problems in polymer science . This article first introduced from three aspects of the experiment , theory and simulation research of polymer chain conformation today , and lattice Monte Carlo simulation of the polymer chain and the star-shaped block copolymer copolymer conformation of the polymer chain and discussion. This paper is divided into four parts , the main contents are as follows : Chapter 1 : Overview . Recent years, research on experimental as well as theoretical aspects of the conformation of the polymer chain progress review , and a more detailed summary of the work of other researchers from the perspective of computer simulation . Chapter 2 : block copolymer single strand conformation lattice Monte Carlo simulation . Simulation study of the evolution of the polymer chain conformation of block copolymer . The results show that , under suitable conditions , the block copolymer chains can occur - helix transition and a wire of the coil group - chain dropwise transition . Thus related factors are discussed . Chapter 3: the star copolymer conformation non- lattice Monte Carlo Simulation . Simulation of a star-shaped copolymers radius of gyration , gyration radius and energy evolution over time . The results show that the star polymer may be presented in the steady state under the melon conformation . Further our discussion of the factors related to molecular aggregation state .

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