Fig. 5. Similarities between sorption systems for NN learning. (a) Principal component analysis on the q(V,T) adsorption patterns for each simulation system. Circles denote individual adsorption patterns and diamonds denote the centroid for each simulation system in the principal component space. Shaded ellipses correspond to 95% confidence interval from covariance matrix. Grey dashed lines denote the distances between centroids with numerical values labelled above each line. (b) Graphic illustration of the sorption systems. Dashed rectangles denote a zeolite unit cell projected along (010) direction and yellow wireframes indicate the network of Si atoms.
