Mechanism research on the co-pyrolysis of PVC and cellulose through ReaxFF MD combined with DFT simulation

Yang, Zihao; Niu, Shengli; Han, Kuihua; Wang, Yongzheng; Yu, Hewei

doi:10.1016/j.psep.2024.12.022

Process Safety and Environmental Protection

2025

DOI: 10.1016/j.psep.2024.12.022

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Mechanism research on the co-pyrolysis of PVC and cellulose through ReaxFF MD combined with DFT simulation

Zihao Yang,

Shengli Niu,

Kuihua Han

et al.

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Mechanism research on the co-pyrolysis of PVC and cellulose through ReaxFF MD combined with DFT simulation

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References 64 publications

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