Conformational behavior of dendronized polymers : A Molecular Dynamics simulation approach
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초록
내용
Dendronized polymer is a type of molecular brush that has dendritic side chains as its repeat units. We present numerical results for the induced persistence length (lp) and cross-sectional thickness (D) of dendronized polymers under good solvent conditions by using Molecular Dynamics simulation (MD). These properties are investigated as a function of the DP of side chain (N), the number of monomer units in the longest elastic path in a side chain (P) and separation between neighboring grafting points along the backbone (h). The investigated properties were compared to mean-field theory that predicts that dendronized polymers are similar to semi-rigid polymers. Under good-solvent conditions, the results indicated that induced persistence length is not affected by architecture of sidechain but by DP of side chain and grafting density. However, architecture of sidechain is an important factor affecting the cross-sectional thickness.