並列タイトル等Dimensions of Network Polymers
タイトル（掲載誌）MACROMOLECULAR THEORY AND SIMULATIONS
一般注記The mean-square radius of gyration Rg2 and the graph diameter D of the network polymers formed through the random crosslinking of predetermined primary chains with a fixed number of intermolecular and intramolecular crosslinks are investigated by the numerical calculation based on the graph theory. In the case of ring-free polymers, D is the longest end-to-end path length, sometimes referred to as the maximum span length. The expected Rg2-value for a given D is found to follow a linear relationship, Rg2 = a D + b, similarly as in the cases of the ring-free polymers. The proportional coefficient, a decreases approximately linearly with the number of intramolecular crosslinks kc, or the cycle rank in the graph theory, essentially independent of the total number k of crosslinks and the primary chain length distribution. The contraction factor g of the average Rg2 of the whole network polymer system is also governed by kc, and decreases with kc. One may be able to design and control the Rg2-values of crosslinked polymers through the magnitude of D, which is usually easier to imagine than the complex 3D architecture.
source:https://onlinelibrary.wiley.com/doi/10.1002/mats.202200022
連携機関・データベース国立情報学研究所 : 学術機関リポジトリデータベース（IRDB）（機関リポジトリ）