O-09　ReaxFF-MDシミュレーションによる針葉樹および広葉樹由来ヘミセルロースの熱分解生成物の解析

DOI

書誌事項

タイトル別名
  • O-09　Analysis of Pyrolysis Products of Hemicelluloses from Softwoods and Hardwoods on ReaxFF-MD Simulation

抄録

<p>The pyrolysis reaction of hemicellulose was analyzed by reactive molecular dynamics (ReaxFF-MD) simulation. Four molecular models of hemicelluloses were used: O-Acetyl-galactoglucomannan and Arabino-4-O-metylglucuronoxylan from softwood, and O-Acetyl-4-O-methylglucuronoxylan and Glucomannan from hardwood. From the atomic trajectories obtained by simulation, the pyrolysis behavior and detailed chemical species of the four hemicelluloses were evaluated. As pyrolysis products of hemicellulose, chemical species mainly classified as linear alcohols, linear ketones and aldehydes were observed.</p>

収録刊行物

詳細情報 詳細情報について

  • CRID
    1390298521584059648
  • DOI
    10.20550/jiebiomassronbun.19.0_21
  • ISSN
    24238341
    24238333
  • 本文言語コード
    ja
  • データソース種別
    • JaLC
  • 抄録ライセンスフラグ
    使用不可

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