Distribution and Transport of CO2 in Hyperbranched Poly(Alkylene Imine)-Loaded MCM-41: A Molecular Dynamics Simulation Approach
Direct air capture (DAC) using amine-functionalized solid sorbents has emerged as a promising strategy for mitigating atmospheric CO2 emissions; however, the coupled influences of polymer architecture, hydration, and mesopore confinement on molecular adsorption and transport remain poorly understood. In this study, a...