高級檢索

電化學調控原子轉移自由基聚合動力學模擬初步研究

Preliminary Study on Kinetic Modeling of Electrochemically Mediated Atom Transfer Radical Polymerization

  • 摘要: 基於矩方法建立了電化學調控原子轉移自由基聚合(eATRP)的動力學模型.利用該模型分析了eATRP與普通ATRP之間的區別, 並模擬了過電位、催化劑濃度和引發劑濃度對聚合反應的影響.模擬結果表明, 過電位的增大對聚合反應速率的促進作用明顯, 但聚合物分散指數(PDI)不變; 增大催化劑濃度可以提高聚合反應速率, 同時降低PDI.當催化劑含量(催化劑與單體濃度之比)低至3×10-5時, PDI在反應時間內不能達到穩定且其值高達1.2以上; 引發劑的影響主要體現在反應的誘導期長短上, 當引發劑與單體濃度比下降至0.5:300時, 誘導期從200s迅速增大到400s左右.

     

    Abstract: A detailed kinetic model about electrochemically mediated atom transfer radical polymerization (eATRP) was constructed by the method of moments. Based on the model, the difference between eATRP and normal ATRP was elucidated, and the effects of overpotential, catalyst loading and initiator concentration on polymerization behavior were predicted. The results show that overpotential and catalyst concentration both have a positive effect on the polymerization rate, while the former has no influence on the polydispersity index (PDI) and the later reduces the PDI. When the catalyst concentration (ratio of the catalyst and monomer concentration) decreases to 3× 10-5, PDI is as high as 1.2 and cannot get steady within the reaction time. Besides, the initiator concentration mainly affects the induction period of the reaction. When the ratio of the initiator concentration to the monomer concentration declines to 0.5:300, the induction period is extended from 200 s to about 400 s rapidly.

     

/

返回文章
返回
摩臣5娱乐专业提供:摩臣5娱乐摩臣5摩臣5平台等服务,提供最新官网平台、地址、注册、登陆、登录、入口、全站、网站、网页、网址、娱乐、手机版、app、下载、欧洲杯、欧冠、nba、世界杯、英超等,界面美观优质完美,安全稳定,服务一流,摩臣5娱乐欢迎您。 摩臣5娱乐官網xml地圖