A. Fawcett, Richard A. W. Mee, Frederick V. McBride
{"title":"三维阶梯生长聚合过程中环形成的蒙特卡罗研究","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":"{\"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}","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}
A Monte‐Carlo study of ring formation during step‐growth polymerization in three dimensions
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).