Supporting Information

1. Grid independence
We verified the grid independence of our simulations. We did simulations with a refined
grid and found almost no difference when the results of both simulations were compared.
The number of grid cells for the refined grid was in this case 605763, while that of our
original grid was 338860.
The following picture is wall Yplus (y+) value at the tube wall along the axial coordinate
in case that we used our original grid without refinement. The y+ value is between 2 and
10, and meets the requirement of y+, so the quality of this grid is good.

2. Kumar model
Kinetics model for thermal cracking reaction of naphtha
Reaction equationa

No.
1

Naphtha0.58H2+0.6CH4+0.82C2H4+0.1C2H6+0.45C3H6
+0.02C3H8+0.035C4H10+0.2C4H8+0.07C4H6+0.09C4s

2
3
4
5
6

C2H6C2H4+H2
C3H6C2H2+CH4
C2H2+C2H4C4H6
2C2H6C3H8+CH4
C2H4+C2H6C3H6+CH4

Activation
energy (KJ/mol)
220.1

pre-exponential
factor (s-1 )
6.5651011

273.0
273.5
172.7
273.2
253.0

4.6521011
7.2841012
(1.0261015)b
3.751012
(7.0831016)b

7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
a

C3H8C3H6+H2
C3H8C2H4+CH4
C3H8+C2H4C2H6+C3H6
2C3H63C2H4
2C3H60.3CnH2n-6+0.14C6++3CH4
C3H6+C2H61-C4H8+CH4
n-C4H10C3H6+CH4
n-C4H102C2H4+H2
n-C4H10C2H4+C2H6
n-C4H101-C4H8+H2
1-C4H80.41CnH2n-6+0.19C6+
1-C4H8H2+C4H6
C2H4+C4H6B+2H2
C4H6+C3H6T+2H2
C4H6+1-C4H8EB+2H2
C4H6+C4H6ST+2H2

B: benzeneT: tolueneEB: ethylbenzeneST: styrene. bUnits: cm3/(mols).

214.7
211.9
247.3
268.7
238.2
251.3
249.7
295.9
256.7
261.1
212.4
209.3
144.7
149.2
242.7
124.6

5.8881010
4.6921010
(2.5361016)b
7.3861012
2.4241011
(1.01017)b
1.01012
7.01014
4.0991012
1.6371012
2.0751011
1.01010
(8.3851012)b
(9.741011)b
(6.41017)b
(1.511012)b