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...
| Main Authors: | , , , , , , , , , , |
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| Format: | Journal Article |
| Language: | English |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/180043 |
| _version_ | 1826126222699003904 |
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| author | Autzen, Anton A. A. Beuermann, Sabine Drache, Marco Fellows, Christopher M. Harrisson, Simon van Herk, Alex M. Hutchinson, Robin A. Kajiwara, Atsushi Keddie, Daniel J. Klumperman, Bert Russell, Gregory T. |
| author2 | School of Materials Science and Engineering |
| author_facet | School of Materials Science and Engineering Autzen, Anton A. A. Beuermann, Sabine Drache, Marco Fellows, Christopher M. Harrisson, Simon van Herk, Alex M. Hutchinson, Robin A. Kajiwara, Atsushi Keddie, Daniel J. Klumperman, Bert Russell, Gregory T. |
| author_sort | Autzen, Anton A. A. |
| collection | NTU |
| description | 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. |
| first_indexed | 2024-10-01T06:49:09Z |
| format | Journal Article |
| id | ntu-10356/180043 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T06:49:09Z |
| publishDate | 2024 |
| record_format | dspace |
| spelling | ntu-10356/1800432024-09-13T15:45:40Z IUPAC recommended experimental methods and data evaluation procedures for the determination of radical copolymerization reactivity ratios from composition data Autzen, Anton A. A. Beuermann, Sabine Drache, Marco Fellows, Christopher M. Harrisson, Simon van Herk, Alex M. Hutchinson, Robin A. Kajiwara, Atsushi Keddie, Daniel J. Klumperman, Bert Russell, Gregory T. School of Materials Science and Engineering Chemistry Copolymer compositions Data evaluation 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. Published version We thank the International Union of Pure and Applied Chemistry (IUPAC) for financial support (Project No. 2019-023-1-400). 2024-09-11T01:06:38Z 2024-09-11T01:06:38Z 2024 Journal Article Autzen, A. A. A., Beuermann, S., Drache, M., Fellows, C. M., Harrisson, S., van Herk, A. M., Hutchinson, R. A., Kajiwara, A., Keddie, D. J., Klumperman, B. & Russell, G. T. (2024). IUPAC recommended experimental methods and data evaluation procedures for the determination of radical copolymerization reactivity ratios from composition data. Polymer Chemistry, 15(18), 1851-1861. https://dx.doi.org/10.1039/d4py00270a 1759-9954 https://hdl.handle.net/10356/180043 10.1039/d4py00270a 2-s2.0-85190737633 18 15 1851 1861 en Polymer Chemistry © The Authors. This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. application/pdf |
| spellingShingle | Chemistry Copolymer compositions Data evaluation Autzen, Anton A. A. Beuermann, Sabine Drache, Marco Fellows, Christopher M. Harrisson, Simon van Herk, Alex M. Hutchinson, Robin A. Kajiwara, Atsushi Keddie, Daniel J. Klumperman, Bert Russell, Gregory T. IUPAC recommended experimental methods and data evaluation procedures for the determination of radical copolymerization reactivity ratios from composition data |
| title | IUPAC recommended experimental methods and data evaluation procedures for the determination of radical copolymerization reactivity ratios from composition data |
| title_full | IUPAC recommended experimental methods and data evaluation procedures for the determination of radical copolymerization reactivity ratios from composition data |
| title_fullStr | IUPAC recommended experimental methods and data evaluation procedures for the determination of radical copolymerization reactivity ratios from composition data |
| title_full_unstemmed | IUPAC recommended experimental methods and data evaluation procedures for the determination of radical copolymerization reactivity ratios from composition data |
| title_short | IUPAC recommended experimental methods and data evaluation procedures for the determination of radical copolymerization reactivity ratios from composition data |
| title_sort | iupac recommended experimental methods and data evaluation procedures for the determination of radical copolymerization reactivity ratios from composition data |
| topic | Chemistry Copolymer compositions Data evaluation |
| url | https://hdl.handle.net/10356/180043 |
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