Carbon Dioxide Separation with a Two-Dimensional Polymer Membrane

Carbon dioxide gas separation is important for many environmental and energy applications. Molecular dynamics simulations are used to characterize a two-dimensional hydrocarbon polymer, PG-ES1, that uses a combination of surface adsorption and narrow pores to separate carbon dioxide from nitrogen, oxygen, and methane gases. The CO₂ permeance is 3 × 10⁵ gas permeation units (GPU). The CO₂/N₂ selectivity is 60, and the CO₂/CH₄ selectivity exceeds 500. The combination of high CO₂ permeance and selectivity surpasses all known materials, enabling low-cost postcombustion CO₂ capture, utilization of landfill gas, and horticulture applications