#PRKM
Reax-Lump automates extraction of 10-species lumped kinetics from ReaxFF MD simulations, reproducing polypropene pyrolysis with R2 of 0.956 and boosting classification accuracy to 97.7%.
Details: https://www.maxapress.com/article/doi/10.48130/prkm-0026-0012
#PolymerPyrolysis #LumpedKinetics
Reax-Lump automates extraction of 10-species lumped kinetics from ReaxFF MD simulations, reproducing polypropene pyrolysis with R2 of 0.956 and boosting classification accuracy to 97.7%.
Details: https://www.maxapress.com/article/doi/10.48130/prkm-0026-0012
#PolymerPyrolysis #LumpedKinetics
August 16, 2026 at 3:24 AM
#PRKM
Reax-Lump automates extraction of 10-species lumped kinetics from ReaxFF MD simulations, reproducing polypropene pyrolysis with R2 of 0.956 and boosting classification accuracy to 97.7%.
Details: https://www.maxapress.com/article/doi/10.48130/prkm-0026-0012
#PolymerPyrolysis #LumpedKinetics
Reax-Lump automates extraction of 10-species lumped kinetics from ReaxFF MD simulations, reproducing polypropene pyrolysis with R2 of 0.956 and boosting classification accuracy to 97.7%.
Details: https://www.maxapress.com/article/doi/10.48130/prkm-0026-0012
#PolymerPyrolysis #LumpedKinetics