Fig. 6: Evaluated results of the laboratory-scale hybrid model under different reaction temperatures. | Nature Communications

Fig. 6: Evaluated results of the laboratory-scale hybrid model under different reaction temperatures.

From: Scale-up of complex molecular reaction system by hybrid mechanistic modeling and deep transfer learning

Fig. 6

a Comparison of calculated fraction yields between the hybrid model and experimental data. Process conditions: Weight hourly space velocity (WHSV) = 20 h−1, Catalyst-to-oil ratio (CTO) = 7. b Comparison of calculated gasoline composition between hybrid model and experimental data. Process conditions: WHSV = 20 h−1, CTO = 7. c–e Comparison of experimental and calculated carbon number distribution and molecular composition at various reaction temperature: 400 °C, 430  °C, and 460 °C. Process conditions: WHSV = 20 h−1, CTO = 7. The left five figures compare the calculated results for n-paraffins, i-paraffins, olefins, naphthenes, and aromatics from the mechanistic and hybrid models with experimental data. The figure on the right compares the molecular composition calculated by the mechanistic and hybrid models. Source data are provided as a Source data file.

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