A. Fawcett, Richard A. W. Mee, Frederick V. McBride
{"title":"A Monte‐Carlo study of ring formation during step‐growth polymerization in three dimensions","authors":"A. Fawcett, Richard A. W. Mee, Frederick V. McBride","doi":"10.1002/MATS.1993.040020107","DOIUrl":null,"url":null,"abstract":"The formation of ring and chain molecules during an irreversible step-growth polymerization has been modelled on a three-dimensional twenty six choice cubic lattice, and examined by the Monte-Carlo method. Movements were not allowed in the system in this preliminary study. The limiting value of the extent of reaction was found to be p = 0,9837 (±0,0003), and the number fraction of molecules found to be rings was 0,300 (±0,045), but the weight fraction was much smaller, 0,056 (±0,005).","PeriodicalId":227512,"journal":{"name":"Die Makromolekulare Chemie, Theory and Simulations","volume":"25 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"5","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Die Makromolekulare Chemie, Theory and Simulations","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1002/MATS.1993.040020107","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 5
Abstract
The formation of ring and chain molecules during an irreversible step-growth polymerization has been modelled on a three-dimensional twenty six choice cubic lattice, and examined by the Monte-Carlo method. Movements were not allowed in the system in this preliminary study. The limiting value of the extent of reaction was found to be p = 0,9837 (±0,0003), and the number fraction of molecules found to be rings was 0,300 (±0,045), but the weight fraction was much smaller, 0,056 (±0,005).