Cargando…
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...
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 |
Ejemplares similares
-
High-Temperature
Pyrolysis of N-Tetracosane
Based on ReaxFF Molecular Dynamics Simulation
por: Yu, Xiaowen, et al.
Publicado: (2023) -
Effects of CO(2) atmosphere on low-rank coal pyrolysis based on ReaxFF molecular dynamics
por: Gu, Chenkai, et al.
Publicado: (2023) -
Study on the Formation Mechanism of the Pyrolysis
Products of Lignite at Different Temperatures Based on ReaxFF-MD
por: He, Xin, et al.
Publicado: (2021) -
ReaxFF Molecular Dynamics Simulation of Hydrostatic
and Uniaxial Compression of Nitrate Energetic Materials
por: Zhang, Yaping, et al.
Publicado: (2020) -
Evaluating the performance of ReaxFF potentials for sp(2) carbon systems (graphene, carbon nanotubes, fullerenes) and a new ReaxFF potential
por: Fthenakis, Zacharias G., et al.
Publicado: (2022)