Fig. 6: Gas transport trade-off plots.
a Gas permeability, b Gas diffusivity, and c Gas solubility. Using our model to predict ≈13,000 known polymers, we compare the results to experimental data. The orange and blue dots correspond to the experimental data and machine learning predictions, respectively, while the grey dots represent simulated values. The original Robeson upper bound (1991) is depicted as the dashed black line, with reevaluated bounds from 2008 and 2019 shown as red and yellow dashed lines, respectively, for gas permeability. There are no established bounds for gas diffusivity or solubility, but the model predictions closely align with the experimental data values. In the case of CO2/CH4 diffusivity selectivity, the low diffusivity regime has high prediction uncertainty and should be taken with caution.
