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Molecular dynamics simulation was performed for the first time on oligomeric poly(ethylene-co-ethylacrylate-co-n-butylacrylate) (ACM) chains, consisting of ten repeating monomer units in presence and absence of model silica particle to investigate the influence of nanosilica on high-temperature degradation characteristics of ACM nanocomposite. The initial decomposition temperature and the final degradation...
A series of Reactive Force Field (ReaxFF) molecular dynamics simulation was performed on polyacrylicester terpolymer for the first time to understand its thermal decomposition characteristics. The effects of time and temperature on the evolution of various products were analyzed. Alkyl radicals were discovered as dominant products at low temperature along with carbon dioxide. Additionally, alkenes...
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