Desulfurization of fluid catalytic cracking naphtha by extractive distillation:

A universal simulation method established using the UNIFAC model

Yuhao Zhanga, Feng Chena, Liang Zhaoa*, Jinsen Gaoa, Chunming Xua, Qingfei Mengb, and Xiangqi Liub

a State Key Laboratory of Heavy Oil Processing, China University of Petroleum (Beijing), Beijing
102249, People’s Republic of China

b Hebei Jingzhi Technology Company, Limited, Cangzhou, Hebei, 061000, People’s Republic of China

State Key Laboratory of Heavy Oil Processing, China University of Petroleum (Beijing), 18 Fuxue Road,

Beijing, P.R. China, 102249

Email: Liang Zhao(liangzhao@cup.edu.cn);

Tel: 86-10-89739078

Fax: 86-10-69724721
 Supporting Information

Table SI1 Binary VLE data of thiophene and SUL

Table SI2 Binary VLE data of ethanethiol and SUL

Table SI3 Binary VLE data of dimethyl sulfide and SUL

Table SI4 Activity coefficients results for thermodynamic consistency test

Figure SI1 Thermodynamic consistency test of thiophene and SUL

Figure SI2 Thermodynamic consistency test of ethanethiol and SUL

Figure SI3 Thermodynamic consistency test of dimethyl sulfide and SUL

Table SI1

The binary VLE data for thiophene (1) and SUL (2) at 101.325 kPa

Concentration of SUL in mixture, v% T, K x1 x2 y1 y2

Pure thiophene 357.15 1 0 1 0

10 360.35 0.8711 0.1389 0.9998 0.0002

20 368.65 0.7051 0.2949 0.9995 0.0005

30 373.15 0.6202 0.3798 0.9992 0.0008

40 383.65 0.5128 0.4872 0.9986 0.0014

50 392.65 0.4004 0.5996 0.9970 0.0030

60 407.65 0.3105 0.6895 0.9960 0.0040

70 430.15 0.2086 0.7914 0.9768 0.0092

80 458.15 0.1105 0.8895 0.9055 0.0145

90 478.15 0.0780 0.9220 0.8805 0.0195

Pure SUL 558.15 0 1 0 1

T is the equilibrium temperature.

Table SI2

The experimental VLE data for ethanethiol (1) and SUL (2) at 101.325 kPa

Concentration of SUL in mixture, v% T, K x1 x2 y1 y2

Pure ethanethiol 310.45 1 0 1 0

10 313.55 0.7688 0.2312 0.9999 0.0001

20 326.65 0.4044 0.5956 0.9999 0.0001

25 333.15 0.3206 0.6794 0.9998 0.0002

30 343.15 0.2389 0.7611 0.9996 0.0004

35 353.15 0.1577 0.8423 0.9994 0.0006

40 358.65 0.1440 0.8560 0.9992 0.0008

45 364.15 0.1294 0.8706 0.9989 0.0011

50 373.15 0.1081 0.8919 0.9984 0.0016

55 380.15 0.0894 0.9106 0.9982 0.0018

60 385.15 0.0782 0.9218 0.9980 0.0020

70 423.15 0.0394 0.9606 0.9730 0.0270

80 471.15 0.0235 0.9765 0.8390 0.1610

Pure SUL 558.15 0 1 0 1

T is the equilibrium temperature.

Table SI3

The experimental VLE data for dimethyl sulfide (1) and SUL (2) at 101.325 kPa

Concentration of SUL in mixture,v% T, K x1 x2 y1 y2

Pure dimethyl sulfide 309.35 1 0 1 0

10 327.15 0.4312 0.5688 0.9999 0.0001

15 338.55 0.2720 0.7280 0.9998 0.0002

20 341.15 0.2515 0.7485 0.9997 0.0003

25 346.15 0.2292 0.7708 0.9996 0.0004

30 356.15 0.1578 0.8422 0.9995 0.0005

40 368.15 0.1268 0.8732 0.9990 0.0010

45 376.15 0.1052 0.8948 0.9985 0.0015

50 388.15 0.0800 0.9200 0.9971 0.0029

65 410.15 0.0573 0.9427 0.9941 0.0059

Pure SUL 558.15 0 1 0 1

T is the equilibrium temperature.

Table SI4

Calculation results for sulfides (1) and SUL (2) binary system

T (K) P𝟏∗ (bar) P𝟐∗ (bar) γ1 γ2 ln(γ1/γ2)

Thiophene (1)+SUL (2)

360.35 1.1093 0.0007 1.0484 2.0561 -0.6736

368.65 1.4140 0.0012 1.0158 1.4699 -0.3695

373.15 1.6043 0.0015 1.0175 1.4090 -0.3255

383.65 2.1247 0.0027 0.9287 1.0803 -0.1512

392.65 2.6656 0.0043 0.9465 1.1827 -0.2228

407.65 3.7917 0.0088 0.8572 0.6688 0.2482

430.15 6.1072 0.0230 0.7872 0.5672 0.3277

458.15 10.2963 0.0650 0.8599 0.6043 0.3526

478.15 14.3869 0.1247 0.8582 0.4361 0.6768

Ethanethiol (1)+SUL (2)

357.05 1.8901 0.0001 1.2432 2.2740 -0.6038

356.95 2.6460 0.0002 1.4074 1.9229 -0.3121

356.75 2.8470 0.0002 1.4145 1.7304 -0.2016

356.35 3.2660 0.0003 1.3529 1.6674 -0.2090

355.85 4.2434 0.0005 1.5121 1.1694 0.2570

355.25 5.6910 0.0011 1.4028 1.0223 0.3164

354.65 6.8431 0.0018 1.4052 0.9473 0.3943

353.15 8.8859 0.0034 1.4213 0.9366 0.4171

351.95 13.7584 0.0098 1.2767 0.6476 0.6788

Dimethyl sulfide (1)+SUL (2)

326.65 1.7187 0.0001 1.4576 3.6890 -0.9285

333.15 2.0909 0.0001 1.5112 2.6742 -0.5707

343.15 2.7804 0.0002 1.5252 1.7398 -0.1317

353.15 3.6305 0.0004 1.7691 1.3376 0.2796

358.65 4.1747 0.0006 1.6846 1.1125 0.4150

364.15 4.7781 0.0009 1.6382 0.9104 0.5874

373.15 5.9039 0.0015 1.5854 0.8250 0.6531

380.15 6.9085 0.0022 1.6381 0.7970 0.7204

385.15 7.7006 0.0029 1.6799 0.6812 0.9026

 2.0

1.5

1.0

ln(γ2/γ1)
0.5

0.0
0.0 0.2 0.4 0.6 0.8 1.0
x1
-0.5

-1.0

Figure SI1. Diagram of the thermodynamic consistency test for thiophene (1) and SUL (2).
0.8
0.6
0.4
0.2
ln(γ2/γ1）

0.0
0.0 0.1 0.2 0.3 0.4
x1
-0.2
-0.4
-0.6
-0.8

Figure SI2. Diagram of the thermodynamic consistency test for ethanethiol (1) and SUL (2).
1.0
0.8
0.6
0.4
0.2
ln(γ2/γ1)

0.0
0.0 0.1 0.2 0.3 0.4
-0.2 x1
-0.4
-0.6
-0.8
-1.0
-1.2

Figure SI3. Diagram of the thermodynamic consistency test for dimethyl sulfide (1) and SUL (2).