Studies of Reversible Loop Formation of a Flexible Polymer with Two Random Reactive Sites by Monte Carlo Simulations

• Main Authors: Pei-Hsien Hsu, 許倍銜
• Other Authors: Yu-Jane Sheng
• Format: Others
• Language: zh-TW
• Published: 2004
• Online Access: http://ndltd.ncl.edu.tw/handle/82368963580324920670

碩士 === 國立臺灣大學 === 化學工程學研究所 === 92 === The diffusion-limited loop formation is investigated for a flexible polymer owing to the reversible intrachain reaction. The polymer is made of N hard-sphere confined by slightly extensible bonds, and the two reactive sites with binding energy - are randomly located. The open-to-closed crossover is characterized by the probability curve which depicts the variation of the open-state probability with temperature. It is found that and we can classify the loop formation into three types: (i) end-to-end, ; (ii) end-to-interior, ; (iii) interior-to-interior, . The constant G varies with locations of the reactive sites. Although the end-to-end loop is most easily formed for long polymers, the interior-to-interior loop is preferred for short chains, according to our study, we can control the probability of loop formation by utilizing loop types and contour distance between reactive sites.