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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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| Publié dans: | Polymers (Basel) |
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| Auteurs principaux: | , , , , , , , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
MDPI
2019
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| Sujets: | |
| Accès en ligne: | 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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