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Multiscale Simulation on Product Distribution from Pyrolysis of Styrene-Butadiene Rubber

Pyrolysis of styrene-butadiene rubber receives renewed attention due to its application in tackling the waste tire disposal problem while allowing energy recovery. The density functional theory calculation (DFT) and ReaxFF molecular dynamics simulation (MD) are adopted to study the pyrolysis process...

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Detalles Bibliográficos
Autores principales: Deng, Shengwei, Zhuo, Han, Wang, Yinbin, Leng, Shuai, Zhuang, Guilin, Zhong, Xing, Wei, Zhongzhe, Yao, Zihao, Wang, Jian-guo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6960849/
https://www.ncbi.nlm.nih.gov/pubmed/31795514
http://dx.doi.org/10.3390/polym11121967