Anton A. A. Autzen , Sabine Beuermann , Marco Drache , Christopher M. Fellows , Simon Harrisson , Alex M. van Herk , Robin A. Hutchinson , Atsushi Kajiwara , Daniel J. Keddie , Bert Klumperman , Gregory T. Russell
{"title":"国际理论化学和应用化学联合会（IUPAC）推荐的实验方法和数据评估程序，用于根据成分数据确定自由基共聚反应率。","authors":"Anton A. A. Autzen , Sabine Beuermann , Marco Drache , Christopher M. Fellows , Simon Harrisson , Alex M. van Herk , Robin A. Hutchinson , Atsushi Kajiwara , Daniel J. Keddie , Bert Klumperman , Gregory T. Russell","doi":"10.1039/d4py00270a","DOIUrl":null,"url":null,"abstract":"<div><p>The IUPAC working group on “Experimental Methods and Data Evaluation Procedures for the Determination of Radical Copolymerization Reactivity Ratios” recommends a robust method to determine reactivity ratios from copolymer composition data using the terminal model for copolymerization. The method is based on measuring conversion (<em>X</em>) and copolymer composition (<em>F</em>) of three or more copolymerization reactions at different initial monomer compositions (<em>f</em><sub>0</sub>). Both low and high conversion experiments can be combined, or alternatively only low conversion experiments can be used. The method provides parameter estimates, but can also reveal deviations from the terminal model and the presence of systematic errors in the measurements. Special attention is given to error estimation in <em>F</em> and construction of the joint confidence interval for reactivity ratios. Previous experiments measuring <em>f</em><sub>0</sub> − <em>F</em> or <em>f</em> − <em>X</em> can also be analyzed with the IUPAC recommended method. The influence of systematic errors in the measurements on the reactivity ratio determinations is investigated, including ways to identify and mitigate such errors.</p></div>","PeriodicalId":100,"journal":{"name":"Polymer Chemistry","volume":"15 18","pages":"Pages 1851-1861"},"PeriodicalIF":3.9000,"publicationDate":"2024-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"IUPAC recommended experimental methods and data evaluation procedures for the determination of radical copolymerization reactivity ratios from composition data†\",\"authors\":\"Anton A. A. Autzen , Sabine Beuermann , Marco Drache , Christopher M. Fellows , Simon Harrisson , Alex M. van Herk , Robin A. Hutchinson , Atsushi Kajiwara , Daniel J. Keddie , Bert Klumperman , Gregory T. Russell\",\"doi\":\"10.1039/d4py00270a\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The IUPAC working group on “Experimental Methods and Data Evaluation Procedures for the Determination of Radical Copolymerization Reactivity Ratios” recommends a robust method to determine reactivity ratios from copolymer composition data using the terminal model for copolymerization. The method is based on measuring conversion (<em>X</em>) and copolymer composition (<em>F</em>) of three or more copolymerization reactions at different initial monomer compositions (<em>f</em><sub>0</sub>). Both low and high conversion experiments can be combined, or alternatively only low conversion experiments can be used. The method provides parameter estimates, but can also reveal deviations from the terminal model and the presence of systematic errors in the measurements. Special attention is given to error estimation in <em>F</em> and construction of the joint confidence interval for reactivity ratios. Previous experiments measuring <em>f</em><sub>0</sub> − <em>F</em> or <em>f</em> − <em>X</em> can also be analyzed with the IUPAC recommended method. The influence of systematic errors in the measurements on the reactivity ratio determinations is investigated, including ways to identify and mitigate such errors.</p></div>\",\"PeriodicalId\":100,\"journal\":{\"name\":\"Polymer Chemistry\",\"volume\":\"15 18\",\"pages\":\"Pages 1851-1861\"},\"PeriodicalIF\":3.9000,\"publicationDate\":\"2024-05-07\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Polymer Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S1759995424001487\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"POLYMER SCIENCE\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Polymer Chemistry","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S1759995424001487","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"POLYMER SCIENCE","Score":null,"Total":0}
IUPAC recommended experimental methods and data evaluation procedures for the determination of radical copolymerization reactivity ratios from composition data†
The IUPAC working group on “Experimental Methods and Data Evaluation Procedures for the Determination of Radical Copolymerization Reactivity Ratios” recommends a robust method to determine reactivity ratios from copolymer composition data using the terminal model for copolymerization. The method is based on measuring conversion (X) and copolymer composition (F) of three or more copolymerization reactions at different initial monomer compositions (f0). Both low and high conversion experiments can be combined, or alternatively only low conversion experiments can be used. The method provides parameter estimates, but can also reveal deviations from the terminal model and the presence of systematic errors in the measurements. Special attention is given to error estimation in F and construction of the joint confidence interval for reactivity ratios. Previous experiments measuring f0 − F or f − X can also be analyzed with the IUPAC recommended method. The influence of systematic errors in the measurements on the reactivity ratio determinations is investigated, including ways to identify and mitigate such errors.
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Polymer Chemistry welcomes submissions in all areas of polymer science that have a strong focus on macromolecular chemistry. Manuscripts may cover a broad range of fields, yet no direct application focus is required.
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