https://scholars.lib.ntu.edu.tw/handle/123456789/64388
標題: | 結狀高分子之熱力學性質與非平衡鬆弛過程的分子模擬(2/2) The mobility and diffusivity of a knotted polymer : Topological deformation effect(2/2) |
作者: | 諶玉真 | 公開日期: | 2002 | 出版社: | 臺北市:國立臺灣大學化學工程學系暨研究所 | 摘要: | The effect of topological deformation on the mobility and diffusivity of a polymer chain in a good solvent is investigated by off-lattice dynamic Monte Carlo simulations. The topological deformation of the polymer is expressed through the knotted structure. The Nernst-Einstein relation is obeyed and thus the diffusivity is proportional to the mobility. As the crossing number of the knotted poly-mer, which characterizes the extent of the deformation, is increased, the mobility de-clines. A scaling analysis confirmed by simu-lations indicates that the deformation yields an extra contribution to the resistance æN as-sociated with a linear chain, áN -3/5 p 8/5 , where N is the chain length and p is the length-to-diameter ratio associated with a maximum inflated knot. The mobility of the polymer chain is further reduced due to the confinement in a cylindrical tube. Neverthe-less, the confinement only slightly increases the friction coefficients æ and the internal friction constant á. Our numerical results for the Rouse model are qualitatively different from those anticipated on the basis of scaling arguments for the Zimm model. |
URI: | http://ntur.lib.ntu.edu.tw//handle/246246/9298 | 其他識別: | 902214E002016 | Rights: | 國立臺灣大學化學工程學系暨研究所 |
顯示於: | 化學工程學系 |
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902214E002016.pdf | 204.71 kB | Adobe PDF | 檢視/開啟 |
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