Insight into the Molecular Structure Construction and Pyrolysis Mechanism Simulation of Typical Carbonaceous Feedstocks for the Rapid Design and Preparation of Porous Carbon-Based Materials

Li Zhao, Bo Yuan,Lele Gong, Hongwei Wang, Qiansong Ran, Lingyan Qin, Jiaqi Liu, Luchao Zhang,Kai Li,Guojie Liang, Li, Qiang Xie

Fuel（2025）

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Carbonaceous feedstock,Molecular structure,Pyrolysis mechanisms,Reactive molecular dynamics,Theoretical principles

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