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The Dynamic Behavior of CO at 5 000 K and 25 GPa
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Xiao-Feng LI1, 2, 3, Wei-Min PENG2, Feng ZHAO1, Yan-Li ZHANG4, Guang-Fu JI1, 3, 4, Hong-Ling CUI1, 3
Chinese Journal of High Pressure Physics | 2009, 23(2) : 130 - 136
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Chinese Journal of High Pressure Physics | 2009, 23(2): 130-136
The Dynamic Behavior of CO at 5 000 K and 25 GPa
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Xiao-Feng LI1, 2, 3, Wei-Min PENG2, Feng ZHAO1, Yan-Li ZHANG4, Guang-Fu JI1, 3, 4, Hong-Ling CUI1, 3
Affiliations
  • 1.National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, CAEP, Mianyang 621900, China
  • 2.College of Physics and Electronic Information, LuoYang Normal University, Luoyang 471022, China
  • 3.College of Physical Science and Technology, Sichuan University, Chengdu 610065, China
  • 4.Institute of High Pressure Physics, Southwest Jiaotong University, Chengdu 610031, China
Published: 2009-04-15
Outline
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The chemical reaction of CO, being one of the main explosive denotation products, was investigated at 5 000 K and 25 GPa by ab initio molecular dynamics simulations. The final products are C3O2, CO2, and C2O2. The infrared spectroscopy of the system is agreement with many theories and experiments. Radial distribution function (RDF) of the system shows the characteristics of high density fluid. Density of states (DOS) of the products was also presented. By analyzing the mechanism of products of CO under the extreme condition of 5 000 K and 25 GPa, we found that the reaction of CO is mainly due to intermolecular collisions, and transition state is not found in the system.

CO  /  infrared spectroscopy  /  radial distribution function  /  density of state  /  molecular dynamics
李晓凤, 彭卫民, 赵峰, 张艳丽, 姬广富, 崔红玲. CO气体在5 000 K和25 GPa条件下的动力学研究. 高压物理学报, 2009 , 23 (2) : 130 -136 .
Xiao-Feng LI, Wei-Min PENG, Feng ZHAO, Yan-Li ZHANG, Guang-Fu JI, Hong-Ling CUI. The Dynamic Behavior of CO at 5 000 K and 25 GPa[J]. Chinese Journal of High Pressure Physics, 2009 , 23 (2) : 130 -136 .
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Year 2009 volume 23 Issue 2
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Article Info
  • Receive Date：2008-04-23
  • Online Date：2026-10-30
  • Published：2009-04-15
Article Data
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History
  • Received：2008-04-23
  • Revised：2008-06-23
Funding
Affiliations
    1.National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, CAEP, Mianyang 621900, China
    2.College of Physics and Electronic Information, LuoYang Normal University, Luoyang 471022, China
    3.College of Physical Science and Technology, Sichuan University, Chengdu 610065, China
    4.Institute of High Pressure Physics, Southwest Jiaotong University, Chengdu 610031, China
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Citations
表12种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
total species (%)		 属
Genus		 种数
Number of
species		 占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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