Simulation of molecular dynamics in cellulose pyrolysis

被引:0
|
作者
Jiang, De-Zheng [1 ]
Liu, Chao [1 ]
Wei, Shun-An [2 ]
Huang, Jin-Bao [1 ]
机构
[1] College of Power Engineering, Chongqing University, Chongqing 400030, China
[2] College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400030, China
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
页码:1986 / 1990
相关论文
共 50 条
  • [41] Molecular Dynamics Simulation and Gas Generation Tracking of Pyrolysis of Bituminous Coal
    Zhang, Jing
    Wang, Jiren
    Li, Zongxiang
    Zhu, Jinchao
    Lu, Bing
    ACS OMEGA, 2022, 7 (13): : 11190 - 11199
  • [42] A ReaxFF-Based Molecular Dynamics Simulation of the Pyrolysis Mechanism for Polycarbonate
    Zhao, Tong
    Li, Tan
    Xin, Zhe
    Zou, Liang
    Zhang, Li
    ENERGY & FUELS, 2018, 32 (02) : 2156 - 2162
  • [43] Chemical kinetics of hexamethyldisiloxane pyrolysis: A ReaxFF molecular dynamics simulation study
    Chen, Yugong
    Chen, Hao
    Wang, Jianxiang
    Huang, Yaosong
    INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2022, 54 (07) : 413 - 423
  • [44] Pyrolysis mechanisms of graphene oxide revealed by ReaxFF molecular dynamics simulation
    Yang, Zhi
    Sun, Yunjin
    Ma, Fei
    Lu, Yangfan
    Zhao, Tianbao
    APPLIED SURFACE SCIENCE, 2020, 509
  • [45] Molecular dynamics simulation of mechanical properties of carbon nanotube reinforced cellulose
    Kecheng Li
    Dewei Qi
    Journal of Molecular Modeling, 2023, 29
  • [46] Molecular dynamics simulation of cellulose nanofibrils used to modify polymer gels
    Sliozberg, Yelena
    Coleman, Shawn
    Dong, Hong
    Snyder, James
    West, Abby
    Chantawansri, Tanya
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
  • [47] Effect of oxidation on cellulose and water structure: a molecular dynamics simulation study
    Mudedla, Sathish Kumar
    Vuorte, Maisa
    Veijola, Elias
    Marjamaa, Kaisa
    Koivula, Anu
    Linder, Markus B.
    Arola, Suvi
    Sammalkorpi, Maria
    CELLULOSE, 2021, 28 (07) : 3917 - 3933
  • [48] Molecular dynamics simulation study of the AxCeSD octamer compelxed with cellulose chains
    Yui, Toshifumi
    Uto, Takuya
    Ikeda, Yuki
    Tajima, Kenji
    Yao, Min
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 249
  • [49] Tensile strength of Iβ crystalline cellulose predicted by molecular dynamics simulation
    Wu, Xiawa
    Moon, Robert J.
    Martini, Ashlie
    CELLULOSE, 2014, 21 (04) : 2233 - 2245
  • [50] Diffusion behaviors of liquid ammonia in the cellulose based on molecular dynamics simulation
    Huang, Shuang
    Wu, Xin
    Li, Peixing
    INTERNATIONAL JOURNAL OF CLOTHING SCIENCE AND TECHNOLOGY, 2019, 31 (05) : 705 - 714