Department of Chemistry, Haverford College , Haverford, Pennsylvania 19041, United States.
ACS Appl Mater Interfaces. 2012 Jul 25;4(7):3745-52. doi: 10.1021/am300867d. Epub 2012 Jul 9.
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 × 10(5) 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.
二氧化碳气体分离在许多环境和能源应用中非常重要。分子动力学模拟被用于描述一种二维碳氢聚合物 PG-ES1,该聚合物利用表面吸附和狭窄的孔隙来分离二氧化碳与氮气、氧气和甲烷气体。CO2 的渗透率为 3×10(5)气体渗透单位(GPU)。CO2/N2 的选择性为 60,CO2/CH4 的选择性超过 500。高 CO2 渗透率和选择性的结合超过了所有已知的材料,使低成本的燃烧后 CO2 捕获、垃圾填埋气的利用和园艺应用成为可能。