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Updated: Jul 4, 2025

Temperature-programmed Deoxygenation of Acetic Acid on Molybdenum Carbide Catalysts
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Published on: February 7, 2017

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洞察乙的高温氧化动力学:一个第一原则的分子动力学研究

Teng Zhang1, Liefeng Shou2, Kun Yang1

  • 1Beijing Institute of Technology, Beijing 100081, China.

Journal of hazardous materials
|February 1, 2024
PubMed
概括

使用第一原理分子动力学模拟了乙 (C2H2) 的高温氧化. 这项研究揭示了详细的反应途径,并确定了关键的中间体,这对于理解燃烧和污染物形成至关重要.

关键词:
C2H2 的氧化动力学.第一原则分子动力学分子动力学气体污染物 气体污染物

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