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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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| Publicado no: | Polymers (Basel) |
|---|---|
| Main Authors: | , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6960849/ https://ncbi.nlm.nih.gov/pubmed/31795514 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/polym11121967 |
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