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Pyrolysis Mechanism of Wheat Straw Based on ReaxFF Molecular Dynamics Simulations

[Image: see text] Biomass has played an increasingly important role in the consumption of energy worldwide because of its renewability and carbon-neutral property. In this work, the pyrolysis mechanism of wheat straw is explored using reactive force field molecular dynamics simulations. A large-scal...

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Detalles Bibliográficos
Autores principales: Liu, Zhiwei, Ku, Xiaoke, Jin, Hanhui
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9218979/
https://www.ncbi.nlm.nih.gov/pubmed/35755388
http://dx.doi.org/10.1021/acsomega.2c01899