| アイテムタイプ |
学術雑誌論文 / Journal Article(1) |
| 公開日 |
2025-10-07 |
| タイトル |
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タイトル |
Multiple comonomer concentrations prediction from FTIR spectra with quantum chemistry-based interpretation |
| 言語 |
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言語 |
eng |
| キーワード |
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主題Scheme |
Other |
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主題 |
Polymer |
| キーワード |
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主題Scheme |
Other |
|
主題 |
Polymerization |
| キーワード |
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主題Scheme |
Other |
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主題 |
Infrared (IR) spectroscopy |
| キーワード |
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主題Scheme |
Other |
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主題 |
Machine learning |
| キーワード |
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主題Scheme |
Other |
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主題 |
Alternative assessment |
| 資源タイプ |
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資源タイプ |
journal article |
| アクセス権 |
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アクセス権 |
open access |
| 著者 |
Wakiuchi, Araki
Jasial, Swarit
Asano, Shigehito
Hashizume, Ryo
Hatanaka, Miho
Ohnishi, Yu-ya
松原, 崇充
網代, 広治
Sugawara, Tetsunori
藤井, 幹也
宮尾, 知幸
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| 抄録 |
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内容記述タイプ |
Abstract |
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内容記述 |
In this study, we enhance our previously proposed modeling approach, which combines wavelet transform and linear regression and utilizes Fourier transform infrared spectroscopy spectra, to simultaneously estimate the concentrations of two comonomers in binary copolymerization reactions. The advanced multi-output models were evaluated using reaction systems involving methyl methacrylate against two styrene-based and three methacrylate-based monomers with the help of quantum chemical calculations for peak interpretation. The multi-output model surpassed individual concentration prediction models in prediction accuracy for the shared comonomer of methyl methacrylate across the data sets, with identified peaks uniquely associated with the comonomer. |
| 書誌情報 |
en : MRS Communications
巻 14,
号 3,
p. 439-444,
ページ数 6,
発行日 2024-06-01
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| 出版者 |
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出版者 |
Materials Research Society |
| ISSN |
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収録物識別子タイプ |
EISSN |
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収録物識別子 |
2159-6867 |
| 出版者版DOI |
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関連タイプ |
isVersionOf |
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識別子タイプ |
DOI |
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関連識別子 |
https://doi.org/10.1557/s43579-024-00568-x |
| 出版者版URI |
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関連タイプ |
isVersionOf |
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識別子タイプ |
URI |
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関連識別子 |
https://link.springer.com/article/10.1557/s43579-024-00568-x |
| 権利 |
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権利情報 |
Copyright © 2024, The Author(s), under exclusive licence to The Materials Research Society. This version of the article has been accepted for publication, after peer review (when applicable) and is subject to Springer Nature’s AM terms of use, but is not the Version of Record and does not reflect post-acceptance improvements, or any corrections. The Version of Record is available online at: https://doi.org/10.1557/s43579-024-00568-x |
| 著者版フラグ |
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出版タイプ |
AM |
| 助成情報 |
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助成機関名 |
New Energy and Industrial Technology Development Organization (NEDO) |
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研究課題番号 |
JPNP14004 |
fulltext (520.3 KB)
