ReaxFF Molecular Dynamics Simulation of the Cracking of Components of Vacuum Gasoil in the Presence of a Nickel Nanocluster

被引：0
|
作者：
R. Kh. Shayakhmetova
E. M. Khamitov
机构：
[1] Bashkir State University,
[2] Ufa Institute of Chemistry,undefined
[3] Ufa Federal Research Center,undefined
[4] Russian Academy of Sciences,undefined
来源：
Russian Journal of Physical Chemistry A | 2021年 / 95卷
关键词：
ReaxFF; molecular dynamics; cracking; gasoil; pentacosane; pentadecylbenzene; heptadecylcyclohexane; nanocluster; nanoheterogenous catalysis; nickel nanocluster;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
页码：317 / 325
页数：8
相关论文
共 50 条
  • [31] Light gasoil of catalytic cracking: A quantitative description of the physical properties by joint use of chromato-mass-spectrometry and molecular dynamics
    Ilyina, Margarita G.
    Khamitov, Edward M.
    Galiakhmetov, Rail N.
    Mustafin, Ildar A.
    Akhmetov, Arslan F.
    Shayakhmetova, Regina Kh.
    Mustafin, Akhat G.
    JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2020, 67 (01) : 33 - 40
  • [32] Molecular Dynamics Simulation of the Edge Dislocation Glide in Nickel and Silver in the Presence of Interstitial Light Element Atoms
    Poletaev, G. M.
    Zorya, I. V.
    Starostenkov, M. D.
    Bebikhov, Yu. V.
    Rakitin, R. Yu.
    RUSSIAN METALLURGY, 2020, 2020 (04): : 271 - 276
  • [33] High-Temperature Pyrolysis of N-Tetracosane Based on ReaxFF Molecular Dynamics Simulation
    Yu, Xiaowen
    Zhang, Chunhua
    Wang, Hanwen
    Li, Yangyang
    Kang, Yujia
    Yang, Ke
    ACS OMEGA, 2023, 8 (23): : 20823 - 20833
  • [34] Reactive molecular dynamics simulation of oil shale combustion using the ReaxFF reactive force field
    Zhang, Zhijun
    Zhang, Hanyu
    Chai, Jun
    Zhao, Liang
    Zhuang, Li
    ENERGY SOURCES PART A-RECOVERY UTILIZATION AND ENVIRONMENTAL EFFECTS, 2021, 43 (03) : 349 - 360
  • [35] A Study About Nanocluster Deposition of Thin-film Formation by Molecular Dynamics Simulation
    Zaminpayma, Esmaeil
    Nayebi, Payman
    Mirabbaszadeh, Kavoos
    JOURNAL OF CLUSTER SCIENCE, 2008, 19 (04) : 623 - 629
  • [36] A Study About Nanocluster Deposition of Thin-film Formation by Molecular Dynamics Simulation
    Esmaeil Zaminpayma
    Payman Nayebi
    Kavoos Mirabbaszadeh
    Journal of Cluster Science, 2008, 19 : 623 - 629
  • [37] Sintering and oxidation characteristics of aluminum nanoparticles coated with hydrocarbons: A ReaxFF molecular dynamics simulation study
    Kim, Sujin
    Yoon, Chang-Min
    Sim, Hyung Sub
    Hong, Sungwook
    PHYSICS LETTERS A, 2023, 483
  • [38] Nanoindentation response of nickel surface using molecular dynamics simulation
    Chang, Wen-Yang
    Fang, Te-Hua
    Lin, Shiang-Jiun
    Huang, Jian-Jin
    MOLECULAR SIMULATION, 2010, 36 (11) : 815 - 822
  • [39] Catalytic hydropyrolysis of lignin: Insights into the effect of Ni catalyst and hydrogen using ReaxFF molecular dynamics simulation
    Yu, Jingyi
    Dang, Qi
    Wu, Tong
    Wu, Yun
    Lei, Taoning
    Qi, Fenglei
    JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 2023, 175
  • [40] Mechanism of hydrogen production through lignin supercritical water gasification catalyzed by carbon-supported nickel-based catalyst: ReaxFF molecular dynamics simulation
    Guo, Yilin
    Wang, Chenxi
    Chen, Jingwei
    Yi, Lei
    ENERGY, 2025, 319
12345