Determination of Reactivity Ratios from Binary Copolymerization Using the k-Nearest Neighbor Non-Parametric Regression
This paper proposes a new method for calculating the monomer reactivity ratios for binary copolymerization based on the terminal model. The original optimization method involves a numerical integration algorithm and an optimization algorithm based on k-nearest neighbour non-parametric regression. Th...
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-11-01
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| Series: | Polymers |
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| Online Access: | https://www.mdpi.com/2073-4360/13/21/3811 |
| _version_ | 1797511927050534912 |
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| author | Iosif Sorin Fazakas-Anca Arina Modrea Sorin Vlase |
| author_facet | Iosif Sorin Fazakas-Anca Arina Modrea Sorin Vlase |
| author_sort | Iosif Sorin Fazakas-Anca |
| collection | DOAJ |
| description | This paper proposes a new method for calculating the monomer reactivity ratios for binary copolymerization based on the terminal model. The original optimization method involves a numerical integration algorithm and an optimization algorithm based on k-nearest neighbour non-parametric regression. The calculation method has been tested on simulated and experimental data sets, at low (<10%), medium (10–35%) and high conversions (>40%), yielding reactivity ratios in a good agreement with the usual methods such as intersection, Fineman–Ross, reverse Fineman–Ross, Kelen–Tüdös, extended Kelen–Tüdös and the error in variable method. The experimental data sets used in this comparative analysis are copolymerization of 2-(<i>N</i>-phthalimido) ethyl acrylate with 1-vinyl-2-pyrolidone for low conversion, copolymerization of isoprene with glycidyl methacrylate for medium conversion and copolymerization of <i>N</i>-isopropylacrylamide with <i>N</i>,<i>N</i>-dimethylacrylamide for high conversion. Also, the possibility to estimate experimental errors from a single experimental data set formed by n experimental data is shown. |
| first_indexed | 2024-03-10T05:54:51Z |
| format | Article |
| id | doaj.art-7114f9010aef4fc59c96c1e7ee5731c5 |
| institution | Directory Open Access Journal |
| issn | 2073-4360 |
| language | English |
| last_indexed | 2024-03-10T05:54:51Z |
| publishDate | 2021-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Polymers |
| spelling | doaj.art-7114f9010aef4fc59c96c1e7ee5731c52023-11-22T21:29:04ZengMDPI AGPolymers2073-43602021-11-011321381110.3390/polym13213811Determination of Reactivity Ratios from Binary Copolymerization Using the k-Nearest Neighbor Non-Parametric RegressionIosif Sorin Fazakas-Anca0Arina Modrea1Sorin Vlase2AGIMED Sovata, 545500 Sovata, RomaniaPharmacy, Science and Technology George Emil Palade Targu Mures, University of Medicine, 300134 Targu Mures, RomaniaDepartment of Mechanical Engineering, Transilvania University of Brasov, B-dul Eroilor 20, 500036 Brasov, RomaniaThis paper proposes a new method for calculating the monomer reactivity ratios for binary copolymerization based on the terminal model. The original optimization method involves a numerical integration algorithm and an optimization algorithm based on k-nearest neighbour non-parametric regression. The calculation method has been tested on simulated and experimental data sets, at low (<10%), medium (10–35%) and high conversions (>40%), yielding reactivity ratios in a good agreement with the usual methods such as intersection, Fineman–Ross, reverse Fineman–Ross, Kelen–Tüdös, extended Kelen–Tüdös and the error in variable method. The experimental data sets used in this comparative analysis are copolymerization of 2-(<i>N</i>-phthalimido) ethyl acrylate with 1-vinyl-2-pyrolidone for low conversion, copolymerization of isoprene with glycidyl methacrylate for medium conversion and copolymerization of <i>N</i>-isopropylacrylamide with <i>N</i>,<i>N</i>-dimethylacrylamide for high conversion. Also, the possibility to estimate experimental errors from a single experimental data set formed by n experimental data is shown.https://www.mdpi.com/2073-4360/13/21/3811k-NN regressionreactivity ratiosoptimizationcopolymerizationerror estimationpropagation rate |
| spellingShingle | Iosif Sorin Fazakas-Anca Arina Modrea Sorin Vlase Determination of Reactivity Ratios from Binary Copolymerization Using the k-Nearest Neighbor Non-Parametric Regression Polymers k-NN regression reactivity ratios optimization copolymerization error estimation propagation rate |
| title | Determination of Reactivity Ratios from Binary Copolymerization Using the k-Nearest Neighbor Non-Parametric Regression |
| title_full | Determination of Reactivity Ratios from Binary Copolymerization Using the k-Nearest Neighbor Non-Parametric Regression |
| title_fullStr | Determination of Reactivity Ratios from Binary Copolymerization Using the k-Nearest Neighbor Non-Parametric Regression |
| title_full_unstemmed | Determination of Reactivity Ratios from Binary Copolymerization Using the k-Nearest Neighbor Non-Parametric Regression |
| title_short | Determination of Reactivity Ratios from Binary Copolymerization Using the k-Nearest Neighbor Non-Parametric Regression |
| title_sort | determination of reactivity ratios from binary copolymerization using the k nearest neighbor non parametric regression |
| topic | k-NN regression reactivity ratios optimization copolymerization error estimation propagation rate |
| url | https://www.mdpi.com/2073-4360/13/21/3811 |
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