1 Supporting Information for Publication

4 Development of a coke oven gas assisted coal to

5 ethylene glycol process for high techno-economic
6 performance and low emission
7 Qingchun Yanga*, Chenwei Zhanga, Dawei Zhanga, Huairong Zhoub

10 a School of Chemistry and Chemical Engineering, Hefei University of Technology,

11 Hefei, PR China, 230009

12 b School of Chemistry and Chemical Engineering, South University of Technology,

13 Guangzhou, 510641, PR China

14

15

16 + For publication in Industrial & Engineering Chemistry Research

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18 *Corresponding author:

19 Qingchun Yang Ph.D.

20 School of Chemistry and Chemical Engineering

21 Hefei University of Technology

22 Hefei, 230009, P. R. China.

23 Phone: +86-13167739808

24 Email: ceqcyang@hfut.edu.cn

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N2+steam dust H2O+CO 2 steam ash waste+lost steam H2O waste+lost fuel gas CO2 waste+lost
26.40 t/h 0.13 t/h 14.07 t/h 11.53 t/h 38.74 t/h 79.73 t/h 90.77 t/h 83.01 t/h 1.52 t/h 2.78 t/h 94.50 t/h 15.91 t/h

Purification
coal dry coal Gasification syngas Water gas shift gas
Pretreatment & separation
118.98 t/h 95.58 t/h unit 224.51 t/h shift unit 146.16 t/h
unit

N2 air+CO2 fuel gas O2 CO2 water water N2 CH3OH water

5.50 t/h 8.90 t/h 2.80 t/h 51.00 t/h 29.53 t/h 175.40 t/h 96.95 t/h 12.50 t/h 0.04 t/h 3.00 t/h

waste others
2.03 t/h 25.46 t/h CO waste H2
42.82 t/h 0.03 t/h 5.69 t/h

gas
2.46 t/h DMO DMO DMO Crude EG EG product
MN recovery EG refining 37.75 t/h
MN systhesis 74.21 t/h hydrogenation 41.24 t/h
0.43 t/h
CH3OH
38.63 t/h
HNO3+NaOH O2 CH3OH N2 others waste
2 2.12 t/h 12.30 t/h 3.37 t/h 2.94 t/h 3.61 t/h 2.82 t/h

3 Figure S1. Mass balance of the conventional CtEG process

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CO H2 CO2 N2+Ar
60
54
48
Molar fraction (%)

42
36
30
24
18
12
6
0
Syngas-Sim. Syngas-Ind. Shift gas-Sim. Shift gas-Ind. Pure gas-Sim. Pure gas-Ind.
1
2 (Note: Sim. means the simulation results; and Ind. is the industrial data23)

3 Figure S2. Simulation results and industrial data of the main gas streams

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simulation results reference data 23

100
99
98

Molar fraction (%)

97
96
95
94
93
92
91
90
O2 CO H2 EG
2
3 Figure S3. Simulation results and industrial data of the intermediate and target product

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1 Table S1. Main operational parameters of the CaCtEG process

unit key parameters value key parameters value

ASU unit O2 supplied mole purity 99.8% N2 supplied mole purity 99.9%
CG unit gasification pressure 4.0 MPa gasification temperature 1500 ºC
oxygen to coal 0.42 steam to coal 0.25
COGS unit desulfurization reactors 350 ºC desulfurization reactors 2.5 MPa
Fe2O3/ZnO bed temperature 300 ºC Fe2O3/ZnO bed pressure 2.0 MPa
DMOS unit reaction temperature 130 ºC pressure 0.5 MPa
a
regeneration temperature 40 ºC NTP 23
DMR unit preheater temperature 650 ºC DMR reactor temperature 900 ºC
DMR reactor pressure 0.1 MPa waste heat boiler temperature 540 ºC
EGR unit recovery column temperature 90 ºC pressure 0.1 MPa
NTP of recovery column 21 NTP of product column 29
methanol recovery ratio 99.5% DMC removal ratio 95.2%
EGS unit reaction temperature 235 ºC pressure 3.0 MPa
reaction temperature 40 ºC H2/DMO 42
GSP unit pressure 3.3 MPa temperature -40 ºC
methanol (make up) 0.04 t/h N2 (Purge gas) 12.50 t/h
H2 recovery ratio 95.17% CO recovery ratio 91.75%
b
WGS unit pressure 3.65 MPa shift ratio 0.49/0.29
st nd
1 shift reactor temperature 350 ºC 2 shift reactor temperature 220 ºC
2 Note: a: NTP is the number of theoretical plates; and b: Shift ratio of the CtEG and CaCtEG processes
3 are 0.49 and 0.29.
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2 Table S2. Key streams information of the CaCtEG process

stream NO. 1 2 3 4 5 6 7 8 9 10 11
temperature (℃) 25 25 206 40 40 40 25 900 350 120 35
pressure (MPa) 0.1 0.1 3.85 3.55 2.6 0.8 0.1 0.5 1.0 2.0 0.6
mass flowrate (t/h) 118.98 47.59 224.51 252.53 15.54 116.45 103.05 95.13 34.76 4.25 116.77
mole flowrate (kmol/h) - 4800.00 5162.72 12607.85 7771.00 4158.93 1662.10 5273.43 1920.30 2832.00 3648.97
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volume flowrate (Nm /h) - 107520 115645 282416 174070 93160 37231 118125 43015 63437 81737
mole fraction (%)
CO 0.00 6.00 59.58 33.05 0.05 99.06 0.00 52.25 15.75 0.00 0.00
H2 0.00 59.00 27.37 43.75 99.91 0.01 0.00 39.82 0.02 100.0 0.00
CO2 0.00 3.00 12.09 21.42 0.00 0.00 0.00 3.01 7.49 0.00 0.00
CH4 0.00 26.00 0.00 0.17 0.00 0.00 0.00 0.64 64.99 0.00 0.00
N2+Ar 0.00 4.70 0.68 1.46 0.04 0.93 0.00 4.28 11.75 0.00 0.15
O2 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99.85
NO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
H2S 0.00 1.30 0.25 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00
NH3+HCN 0.00 0.00 0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00
Coal 100.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
EG 0.00 0.00 0.00 0.00 0.00 0.00 99.87 0.00 0.00 0.00 0.00

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1 Table S3. Exergy balance of the CtEG and CaCtEG processes

item CtEG process CaCtEG process

input coal 555.9 555.9
COG N/A 399.8
utilities 92.5 147.5
total 648.4 1103.2
output EG 198.9 455.3
loss 449.5 647.9
exergy efficiency (ψ) 30.68% 41.27%
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1 Table S4. Ratio factor of the components in the TCI

component capital investment RF

IEI equipment and installation cost 100
IIPE instruments, piping and electrical 74
IBL buildings and land 51
IES engineering and supervision 32
ICCF construction and contractor’s fee expenses 42
IWCC working capital and contingency 76
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1 Table S5. Assumptions for calculation of the TPC
component assumption
(1) raw material cost * coal: 500 CNY/t, COG: 0.6 CNY/m3
(2) utilities cost * water: 2.85 CNY/m3; electricity: 0.67 CNY/kWh,
(3) operating & maintenance
a) operating labor 1200 labors; 24,000 $/labor/y
b) direct supervisory & clerical labor 20 % of operating labor
c) maintenance and repairs 2 % of fixed capital cost
d) operating supplies 0.8 % of fixed capital cost
e) laboratory charge 15 % of operating labor
(4) depreciation life period 20 years; salvage value 4%
(5) plant overhead cost 60% (a + b + c)
(6) administrative cost 2% of product cost
(7) distribution and selling cost 2% of product cost
(8) total production cost (1) + (2) + (3) + (4) + (5) + (6) + (7)
2 *: For detailed information can be found in the Table 6 in the manuscript.

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