Journal of molecular modeling
Reactive molecular dynamics simulation and experimental validation of pyrolysis in Cis-1,4-polyisoprene nanocomposite.
Meysam Raeisian, Davood Ajloo, Hadi Baseri
Published: 202510.1007/s00894-025-06577-4
Abstract
CONTEXT: This study investigates the thermal degradation behavior of cis-1,4-polyisoprene and its nanocomposites using a combined approach of reactive molecular dynamics simulations and experimental techniques. Pyrolysis was experimentally conducted…
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