Fig. 1: Explored region in composition space aiming at pure FAU and FAU/EMT zeolite synthesis.
From: Machine learning-assisted crystal engineering of a zeolite
x- and y- axes are Na2O/Al2O3 (input), H2Ofinal/Na2O (input), respectively. The 174 (88 + 86) synthesis experiments can be divided into three groups based on the SiO2/Al2O3 ratio of the synthesis mixture: (a) SiO2/Al2O3 = 12, (b) SiO2/Al2O3 < 12, (c) SiO2/Al2O3 = 14, and (d) SiO2/Al2O3 > 12 (other than 14). Square (□) and diamond (◇) points (in blue and red color, see below for explanation of distinction based on color) represent pure faujasite zeolites (FAU and FAU/EMT) without (H2Ofinal/H2Oinitial = 1) and with (H2Ofinal/H2Oinitial = 0.47) the freeze drying step, respectively. Black up (△) and down (▽) triangle points represent tried recipes leading to other zeolites (GIS, SOD, etc.) or amorphous phases. Entry number is listed in the Figs., and entry details are provided in the Supporting Information (Tables S1 and S2). Entries A1-A86 (Supplementary Table 2) contain other zeolites (GIS, SOD, etc.) or amorphous phases instead of pure faujasite; entries 1-88 (Supplementary Table 1) are pure faujasite zeolites (FAU or FAU/EMT) used for ML algorithm training (represented in blue) and testing (represented in red). Details of entry points are provided in Supplementary Fig. 1.
