Deconvoluting the kinetic roles of reaction and gas transport in the CO2-dependent oxidation of branched poly(ethylenimine).

Authors
Category Primary study
JournalChemical communications (Cambridge, England)
Year 2026
Branched poly(ethylenimine) (bPEI) sorbents become more oxidation-resistant at elevated CO2 loadings. Building upon baseline experimental validation, ML-accelerated molecular dynamics show that CO2-crosslinking reduces O2 diffusivity by only 2-to-5-fold, far less than the >100-fold decrease in oxidation rate, indicating that suppressed radical propagation, rather than O2 transport, dominates CO2-induced stabilization.
Epistemonikos ID: ebfcec272949012277104dc001dffb5785c4c238
First added on: Oct 28, 2026