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Updated: May 12, 2025

Combustion Chemistry of Fuels: Quantitative Speciation Data Obtained from an Atmospheric High-temperature Flow Reactor with Coupled Molecular-beam Mass Spectrometer
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用ReaxFF分子动力学模拟城市固体废物焦油模型化合物的化学循环与氧气脱的研究

Zhihan Lu1, Yousheng Lin2, Runhua Ye1

  • 1Guangdong Provincial Key Laboratory of Multi-Energy Distributed Energy Systems, School of Chemical Engineering and Energy Technology, Dongguan University of Technology, Dongguan, 523808, China.

Journal of molecular modeling
|April 29, 2025
PubMed
概括

有氧解 (CLOU) 的化学循环有效地通过氧化焦油化合物,如二烯,和二烯,将它们氧化成CO2和H2O来处理城市固体废物 (MSW). 这种使用ReaxFF MD模拟的过程表明,CuO氧载体对于高效的焦油转化至关重要.

关键词:
化学循环与氧气脱的化学循环.动态分析 动态分析城市固体废物城市固体废物ReaxFF 分子动态的分子动力学焦油模拟化合物是一种模拟化合物.

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