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Investigating the aging mechanism of asphaltene and its dependence on environmental factors through AIMD simulations and DFT calculations

  • 【作者】Dongliang Hu,Xingyu Gu,Lei Lyu,Jianzhong Pei,Bingyan Cui
  • 【作者单位】1 School of Transportation, Southeast University, Nanjing, Jiangsu 211189, China; 2 College of Engineering, Tibet University, Lhasa, Tibet 850000, China; 3 School of Highway, Chang'an University, Xi'an, Shaanxi 710064, China
  • 【年份】2021
  • 【卷号】Vol.795
  • 【页码】148897
  • 【ISSN】0048-9697
  • 【关键词】Asphaltene aging Aging pathway UV radiation AIMD simulations DFT calculations 
  • 【摘要】 To understand the complex aging mechanism of asphalt and its dependence on environmental factors, the chemical reactivity of asphaltene during aging under different environmental conditions was studied through first-principles molecular simulations a...
  • 【文献类型】 期刊
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