Understanding and quantification of the solubility of cellulose investigated by molecular dynamics simulation

通过分子动力学模拟研究纤维素溶解度的理解和量化

• 批准号: 17K07873
• 负责人: Ueda Kazuyoshi
• 金额: $ 2.91万
• 依托单位: Yokohama National University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2017
• 资助国家: 日本
• 起止时间: 2017-04-01 至 2020-03-31
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-17K07873/
• 关键词: セルロース; 分子動力学シミュレーション; 溶解自由エネルギー; 溶媒和自由エネルギー; セルロース誘導体; 溶解性

项目成果

Synthesis and reactivity of [M(η3-allyl)(η2-amidinato)(CO)2(phosphonium ylide)] (M = Mo, W): Investigation of the ligand properties of phosphonium ylides

[M(η3-烯丙基)(η2-脒基)(CO)2(鏻叶立德)] (M = Mo, W) 的合成和反应性：研究鏻叶立德的配体性质

• DOI: 10.1016/j.ica.2017.11.019
• 发表时间: 2018
• 期刊: Inorganica Chimica Acta
• 影响因子: 2.8
• 作者: Takaki Daichi;Ogata Kenichi;Kurihara Youji;Ueda Kazuyoshi;Hashimoto Toru;Yamaguchi Yoshitaka
• 通讯作者: Yamaguchi Yoshitaka

Evaluation of the hydrogen bond networks in cellulose Ib and II crystals using density functional theory and Car-Parrinello molecular dyanamics

使用密度泛函理论和 Car-Parrinello 分子动力学评估纤维素 Ib 和 II 晶体中的氢键网络

• 发表时间: 2017
• 期刊: Carbohydr. Res.
• 作者: Daichi Hayakawa;Yoshiharu Nishiyama;Karim Mazeau and Kazuyoshi Ueda
• 通讯作者: Karim Mazeau and Kazuyoshi Ueda

Structural characterization of cellulose nanofibers isolated from spent coffee grounds and their composite films with poly(vinyl alcohol): a new non-wood source

• DOI: 10.1007/s10570-020-03113-w
• 发表时间: 2020-04-01
• 期刊: CELLULOSE
• 影响因子: 5.7
• 作者: Kanai, Noriko;Honda, Takumi;Kawamura, Izuru
• 通讯作者: Kawamura, Izuru

DFT study of the influence of acetyl groups of cellulose acetate on its intrinsic birefringence and wavelength dependence

• DOI: 10.1016/j.carbpol.2018.11.074
• 发表时间: 2019-03-01
• 期刊: CARBOHYDRATE POLYMERS
• 影响因子: 11.2
• 作者: Hayakawa, Daichi;Gouda, Hiroaki;Ueda, Kazuyoshi
• 通讯作者: Ueda, Kazuyoshi