Table 1 Tuned process conditions and product distribution

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

 

Experiment data

Tuned data

Model validation

Process conditions

Feedstock temperature, °C

70

78

78

Catalyst temperature, °C

678

670

670

CTO

5.6

5.7

5.7

Reaction time, s

3.6

3.6

3.6

Bulk properties

LPG yield, wt%

11.8

12.1

12.2

Gasoline yield, wt%

80.3

80.6

80.5

Coke yield, wt%

2.5

1.8

1.8

i-Paraffin yield, wt%

33.9

34.2

34.2

Olefin yield, wt%

18.2

17.2

17.2

Aromatics yield, wt%

33.9

33.9

33.9

Density at 293 K, °C

 

0.7428

0.7432

ASTM D86 IBP, °C

 

26.2

25.8

ASTM D86 50%, °C

 

84.0

84.8

ASTM D86 FBP, °C

 

171.7

170.3

Research octane number (RON)

 

89.8

91.2

Critical pressure (Pc), kPa

 

3,260.2

3,287.3

Critical temperature (Tc), °C

 

271.35

269.0