FUEL

PROCESSING
TECHNOLOGY
ELSEVIER

Fuel Processing

Technology

50 (1997) 275-289

Simulation of partial oxidation of natural gas to

synthesis gas using ASPEN PLUS
M. Khoshnoodi
Department

of Chemical

Engineering,

Unirersi@

**a,Y.S. Lim

of Sistan

and Baluchesian.

P.O. Box 98135-161.

Zahedan.

Iran
h Facult\

of Chemical

and Natural

Resources Engineering,
Lumpur,

Univ~witi

Teknnologi Malaysia.

54100 Kualrz

Malaysitr

Received 24 July 1996: accepted 24 July 1996

Abstract
Conversion
of natural gas to liquid fuels is a challenging
issue. In SMDS process natural gas is
first partially oxidized with pure oxygen to synthesis gas (a mixture of H, and CO) which is then
converted to high quality liquid transportation fuels by utilizing a modernized version of the
Fischer-Tropsch
reaction. This paper presents a computer simulation of the first stage of the
process, i.e. the synthesis gas production from natural gas. ASPEN PLUS equipped with a
combustion databank was used for calculations. Concentrations of over 30 combustion species and
radicals expected in the synthesis gas have been calculated at equilibrium and several non-equilibrium conditions. Using a sensitivity analysis tool, the relative feed flow rates and reactor
parameters have been varied searching to maximize the CO/O,
yield as well as to minimize the
undesired nitrogen compounds in the product stream. The optimum reactor temperature for
maximizing the CO mole fraction in the synthesis gas was also calculated. 0 1997 Elsevier
Science B.V.
Kqwnrdrt

Natural gas; Synthesis

gas; Combustion

simulation:

ASPEN PLUS

1. Introduction
The first commercial plant for conversion of natural gas to liquid fuels via synthesis
gas was started up by Shell in Bintulu, East Malaysia in 1993. The technology is based
on the classical Fischer-Tropsch
reaction originally explored and developed as far back

_ Corresponding
037%3820/97/$17.00
PII

author.
0

s037x-3x20(96)01079-x

1997 Elsevier Science B.V. All rights reserved.

as the 1920s. It was used in Germany during the second world war to produce motor
fuels from coal [I].
Conversion of natural gas to liquid fuels has been a challenging issue. The proposed
processes may be classified into two groups; direct and indirect processes [2]. Direct
processes tend to be less selective towards the desired products and are limited by the
thermodynamic equilibrium:
nCH, * (CHZ),> + nH,

(I)

Below 1000 C the equilibrium is towards the CH 4 side. To overcome this barrier one
should either apply a high temperature or create a sink for Hz. This may be achieved by
oxidation or by addition of halogens, preferably chlorine. An example of a direct process
is the ARC0 process for oxidative coupling reaction in which methane is converted first
to ethane and then either thermally or catalytically dehydrogenated to ethylene [3,4]:
2CH, + l/20, - + C,H,
_
C,H,

+ C,H,

+ H,O

+ H,

(2)
(3)

Liquid fuels are produced by oligomerizaion

and aromatization
of ethylene over
acidic zeolites. This process is best suited for production of gasoline and, because of a
conversion yield of less than 25%, cannot compete with indirect processes.
Indirect processes include conversion of natural gas to synthesis gas which is mainly
a mixture of H, and CO. Steam reforming of methane (SMR) uses a nickel catalyst and
is operated at about 850C and 30 bar:
CH, + Hz0 + CO + 3H,

(4)

It produces a synthesis gas with a HZ/CO ratio of at least 3. As the H,/CO

usage
ratio in the Fischer-Tropsch
reaction is about 2, it is clear that the steam reforming will
always result in surplus hydrogen production. A commercial example of such process is
the Mobil plant in New Zealand commissioned
in 1986 where natural gas is first
converted to synthesis gas and then to methanol. Liquid fuel is produced via the Mobil
methanol to gasoline (MTG) process over zeolite catalysts. Another example is the
Synthol process at SASOL, South Africa. where natural gas conversion to a CO/H,
mixture is carried out via steam reforming. Synthesis gas is then converted to high
quality gasoline by the Fischer-Tropsch
process. It should be mentioned that synthesis
gas with different H,/CO
ratios is used in the production of many other chemicals [5].
Synthesis gas with a H,/CO
ratio of about 2 to 1.7 can be produced by the
non-catalytic autothermal partial oxidation process:
CH, + l/20,

+ CO + 2H,

(5)

This reaction is the basis of the Shell Middle Distillate Synthesis (SMDS) process for
conversion of natural gas to synthesis gas and then to transportation
fuels [6]. The
oxidation process is operated at 1300 to 1500C and pressures up to 70 bar with carbon
efficiency in excess of 95% and a methane slip of about I %. The synthesis gas produced
consists mainly of Hz and CO (up to 95% vol.), the remainder being H,O, CO?, NT and
traces of hydrocarbons and nitrogen compounds as detailed in Section 2. The non-cata-

lytic partial oxidation of natural gas has also been widely used in the production of
hydrogen.
The heart of the SMDS process is a modernized version of the classical FischerTropsch reaction in which carbon monoxide and hydrogen are converted to paraffinic
hydrocarbons over a cobalt, ruthenium or iron catalyst:
CO+2H.+-CH2-+H,O

(61

In this reaction -CH,represents a segment of a straight chain paraffin in highly

linear products. The reaction conditions are chosen so that formation of long chain liquid
paraffinic molecules is favoured, whilst that of gaseous components such as butanes and
lighter hydrocarbons
is minimized. The Fischer-Tropsch
reaction is very exothermic
and operates in a relatively narrow temperature range of 200-250C.
Taking into
account the requirement for massive removal of the reaction heat several types of
reactors have been considered: Fluidized bed, Multitubular
fixed bed. Three phase
fluidized bed. and Bubble column. The basic limitations of these reactor-catalyst
systems have been studied in detail [7,8]. The Fischer-Tropsch
process may lead to a
raw product of a rather waxy nature which is unsuitable for transportation
fuels.
Incorporation
of a hydroisomerization
and mild hydrocracking
stage reduces heavy
paraffins to middle distillates which are then fractionated to kerosene. gasoil and some
naphtha. In the Shell MDS Bintulu plant. 100 million scfd natural gas is partially
combusted with pure oxygen. produced in a 2500 ton dd air separation unit, resulting in
1200 bbl d- liquid fuels. These fuels are completely free from aromatics and sulphur
compounds and upon combustion in vehicles result in much less particulate and sulphur
emissions when compared with middle distillates originating from crude oil [9].
This project is a modeling investigation of the first stage of the SMDS process; that is
synthesis gas production which involves more than 50% of the total capital cost.

2. Combustion

simulation

by ASPEN PLUS

ASPEN PLUS (Advanced System for Process Engineering) Release 9.1-3 (1994) was
employed to simulate the partial oxidation reactions of natural gas for the production of
synthesis gas. This process simulator has been developed at MIT, USA, and is equipped
with up to date databanks for thermochemical properties based on the American Institute
of Chemical Engineers DIPPR data compilation
project as well as a combustion
databank based on the JANAF Tables including 59 combustion species and radicals at
temperatures up to 6000 K [IO].
ASPEN PLUS incorporates most unit operations and several types of reactors,
including
the Gibbs reactor [I I]. For a multireaction
system such as the partial
combustion of natural gas which involves numerous dissociation, recombination
and
elementary
reactions, the Gibbs reactor was preferred because it is based on the
minimization of the total Gibbs free energy of the product mixture. In this method. for
the calculation of the equilibrium
composition
in a set of chemical reactions. the
reactants with their initial amounts and conditions are specified. It is also required to
specify what species are expected in the product stream. After defining reactor tempera-

ture and pressure, the composition

of all species present in the product mixture is
calculated by solving a set of simultaneous equations [ 12.131. In this simulation work the
product synthesis gas was considered to contain over 30 species: Hz. CO. H,O. CO,.
N?, CH,, H,N. H. CHN. CH,O. CHO, HO, NO. CHz, CN, 0, HN. C,H,. HNO, 02,
N. N,O, H,O. CH, n-C,H,,,. C. I-C,H,,,. NO,. I-C,H ,?. n-C5H,, and N,O, respectively.

3. Simulation

procedure

and results

The flow diagram for the simulation of the partial oxidation of natural gas to produce
synthesis gas is shown in Fig. 1. Separate streams of natural gas (14946 kg hh), pure
were
oxygen (17783 kg h- ) and some hydrogen (57 kg hh ), for desulphurization,
directed into a virtual Gibbs reactor and converted to product synthesis gas (32787
kg h- ). Stream flowrates, temperatures, pressures, and other process parameters were
obtained from the operational data provided by the manufacturing
offices of the Shell
MDS Malaysia Sdn. Bhd. in Sarawak. The composition of natural gas from the central
Luconia field in South China sea is shown in Table 1. The main objective of this
modeling project was to vary the relative feed flowrates and reactor parameters to
maximize the CO/O,
yield as well as to minimize the undesired trace nitrogen

Temperature
a

>

(C)

Pressure (BAR

Flow Rate ( KGIHR)

Fig. 1. Flow diagram for the simulation of the partial oxidation of natural gas.

M. Khoshnoodi,

Table

Y.S. Lirn / Fuel Processing

Technolog!

50

C1997)

275-280

?I9

Composition

of the natural gas from South China sea, central Luconia field
Component

Mole %

CH,

2
3
4
5
6
7
8
9
10

C,H,
co,
C,H,
N2
i-C,H,,,
n-C,H,,,
i-C,H,?
n-C,H,,
&HI, +
TOTAL

87.975
3.543
3.543
2.194
0.97 I
0.574
0.536
0.207
0.126
0.331
100.00

No.

compounds found in the synthesis gas stream [14]. The different

corresponding results are as follows:

cases studied and the

3. I. General simulation
A general simulation of the partial oxidation of natural gas for the production of
synthesis gas was carried out. Perfect mixing of the reactants and ideal gas behavior of
the hot gases were the main assumptions. Complete equilibrium was assumed when the
reactor temperature was 1390C and pressure 46 bar. The mole fractions of the outlet
synthesis gas containing over 30 species were calculated; H, = 0.5502, CO = 0.3326,
H,O = 0.0954, CO, = O-0177,... to as low as C,H ,? = 1.8E - 22. A complete report for
the streams specifications was generated, as shown in Table 2.
3.2. DMDS injection
The general simulation was repeated with a small amount of Dimethyl-Disulfide
(DMDS, 0.64 kg h-r ) injected into the reactor. Although it was advised by the Shell
MDS that the additive may improve the CO concentration
in the synthesis gas, the
simulation results did not show any significant changes.
3.3. Non-equilibrium

simulation

Experimental data provided by the Shell MDS indicated a slight methane slip through
the reactor. The synthesis gas contained 0.197 mole % of unreacted CH, which
corresponded
to a 0.39% departure from the equilibrium
conditions of the reacted
mixture. Thus, non-equilibrium
simulation was carried out and departures from the
equilibrium were set at 0.29%, 0.39% and 0.49%. Streams specifications reports were
generated for each case. Table 3 shows the results for the 0.39% case. There is 4.944
Kmol hh unreacted methane in 25 11.967 kmol hh synthesis gas, corresponding
to
0.1968 mole %. This is very close to the above value, read from the plant operation data.

Pamal oxidation

of tialurill

gas

StreamID

<;a\

ouygen

From
Tll

Kcactol

Phaw

Vapol

Vapol-

Subatream: MIXED
Mole Flow

hmol h

CO

0.0
27.65403

CO2
H20

0.0
0.0

X37.272 I
14SYYY6

0.0

0.0

3-w.3262

N2

7.578905

H2

0.0

0.0
0.0

02

0.0

5ss.7500

HO

0.0

0.0

2.41 125E-3
3. I Y690E - 7

7.S187.57
I3XS.203
3.OXl5E-

IO

NO

0.0

0.0

0.0

0.0

.028X121

0.0

0.0

3.7462E-Y

HO2

0.0

0.0

5.1284E-

NO2

0.0

0.0

5.3x!-

N30

0.0

0.0

6.Y848E - I2

CN

0.0

0.0

1.6093SE - Y

HNO

0.0

0.0

6.OXX2E - IO

0.0

0.0

5.1259E ~ I I

CHO

0.0

0.0

3.779054

CH

0.0

0.0

2.3llXE-

CHN

0.0

0.0

HN

0.0

0.0

1.7417x-9

Cl

6X6.6675

0.0

2.25x51.1

I2
IS

I7

.0159220

C2

27.65303

0.0

2.38524E

C3

17.12373

0.0

6.6XlXE-

- 5

6.326YE ~ IS

IO

IC1

4.4x02 IX

0.0

NC4

4.1X361X

0.0

I .89XOE - I1

ICS

I.615688

0.0

0.0

0.0

0.0

Ch

7.583530

.Y83462S

0.0

0.0

cos

0.0

0.0

0.0

H2S

0.0

0.0

0.0

H3N

0.0

0.0

N203

0.0

0.0

0.0

CH30

0.0

0.0

Y23636E

CH2

0.0

0.0

2.98888E - X

0.0

0.0

I.UIOE-

DMDS

0.0

0.0

0.0

NC5

cs2
Total Flow

kmol II

0.0

0.0

780.5258

555.7500

0.0
327X6.50

Total Flow

kgh-
cutnh-

879. I222

525.5029

7576.326

Temperature

350.0000

250.0000

13 I9.000

Pressure

bar

46.00000
I .oOOoOO

177x3.33

46.00000
I .ooOoOO

- 3

25 17.339

Total Flow

Vapor Frx.

13945.83

IO43728

46.00000
I .OOOOOO

I-1

Partial oxidation of natural gas

Liquid Frac.

0.0

0.0

0.0

Solid Frdc.

0.0

0.0

0.0

Enthalpy

kcal tnol~

Enthalpy

kcal kg

-I

Enthalpy

mmkcal h-

Ent1-q)

CAL/MOL-K

Entropy

cal/gm-k

Density

kmol/cum

Density

kg/cum

A\eragc

13.33185

.0634956

I .02988I

of CO / 0, _

.YO27139

- 13.12385

-3.530153
-.I

- I .709606

.8X78567

- 409.1261

50.76449

- 7.338130

I3.55003

lO3?1-!

I .04036X

I .057558

.8878467

- 5.33248

I .624103

I 114.007

--- I Y.72065

MW

3.4. Muximixkm

2.267678

I7.08035

- XY 1.9982

0.0
0.0

17.00086

I .7x9791

33.81060

IY.11832

2.01588U

3 I .99X80

.337658Y
4.332640
13.02-17

yield

A sensitivity analysis tool is one of the ASPEN PLUS features. Keeping the reactor
conditions and inlet parameters constant, as in the general simulation case, the oxygen
tlowrate was increased gradually from 12500 to 21000 kg h- with a step change of 200
kg h- This was done to monitor the variation of CO concentration
in the product
stream. Graphical results showed that CO mole fraction reached a maximum of 0.3454

LIi
13100

/,
13250

I
13400

1 i
13700

I1

13550
02

Fig. 2. Maximization
1390C

and 46 bar.

j
13850

14000

a,

I1

14150

14300

1.

14450

14600

14750

MASS FLOW RATE (KGIHR)

of CO concentration in the synthesis gas as d function of the oxygen mass flowrate. at

Partial oxidation of natural gas

Stream ID
From
To
Phase
Substream: MIXED
Mole Flow
co
CO2
H20
N2
H2
02
HO
NO
H
0
HO2
NO2
N20
CN
HNO
N
CHO
CH
CHN
HN
Cl
C2
C3
lC4
NC4
lC5
NC5
C6
cos
H2S
H3N
N203
CH20
CH2
C
Total Flow
Total Flow
Total Flow
Temperature
Pressure
Vapor Frac.
Liquid Frac.
Solid Frac.

Gas

Hydrogen

Oxygen

Reactor
Vapor

Reactor
Vapor

Reactor
Vapor

0.0
21.65403
0.0
7.578905
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
686.6675
27.65403
17.12413
4.4802 I8
4.183618
I .6 I5688
.9834625
2.583540
0.0
0.0
0.0
0.0
0.0
0.0
0.0
780.5258
14945.83
879.1222
350.0000
46.00000

0.0
0.0
834.1025
0.0
0.0
45.08443
0.0
242.5269
0.0
0.0
0.0
7.5 19222
1377.632
28.439 I9
0.0
0.0
555.7500
3.166OE- IO
0.0
0.0
2.437418-4
0.0
0.0
3.24055E - 7
0.0
0.0
.0287026
0.0
0.0
3.7932lE-9
0.0
0.0
5.2602E - 12
0.0
0.0
5.4772E - 15
7.0879E - I2
0.0
0.0
0.0
0.0
4.53034E - 9
0.0
0.0
6.16lOE10
0.0
0.0
5.4203E - I I
0.0
3.75846E-4
0.0
0.0
0.0
2.2659E- I2
0.0
.0156229
0.0
0.0
0.0
1.73704E-9
0.0
4.944006
0.0
0.0
3.28102E-5
0.0
0.0
6.2659E - IO
0.0
0.0
0.0
5.8179E15
0.0
0.0
I .7429E - 14
0.0
0.0
4.1771EI9
0.0
4.1415EI9
0.0
0.0
8.27218-24
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1037427
0.0
0.0
3.75008 - 28
0.0
0.0
9.16073E-3
0.0
0.0
2.92462E - 8
0.0
0.0
0.0
l.4148E14
25 I I.967
28.43919
555.7500
32786.50
17783.33
57.33000
7551.178
525.5029
32.03 165
1390.000
25O.ooOO
350.0000
46.ooooO
46.OOOOO
46.00000
1.OOOOOO
1.OOOOOO
I .oOOOOO
0.0
0.0
0.0
0.0
0.0
0.0

Product
Reactor
Vapor

kmolhK

kmolh-
kgh-
cumh-
C
bar

I .ooGooo
0.0
0.0

M. Khoshnoodi. Y.S. Lim / Fuel Processing Technology 50 (19971275-289

283

Table 3 (continued)
Partial oxidation of natural gas
Enthalpy
Enthalpy
Enthalpy
Entropy
Entropy
Density
Density
Average MW

kcal mol _
kcal kg-
mmkcal h-
cal/mol-k
cal/gm-k
kmol/cum
kg/cum

- 17.08035
- 891.9982
- 13.33185
- 19.72065
- I .029884
.8878467
17.00086
19.14842

2.267678
I 124.907
.06449 IX
- 2.438420
- 1.209606
.8878467
I .789792
2.015880

I .624403
50.76449
.9027749
-3.530152
-.I103214
1.057558
33.84060
3 I .99880

-5.402717
- 4 13.9340
- 13.57164
13.54269
I .037585
.3326589
4.341905
13.05212

when 0, flowrate was 13650 kg hP , resulting in a maximum CO/O,

yield of 1.758 by
mass. Fig. 2 shows this maximization when the oxygen flowrate range was narrowed
down to 13000- 15000 kg h- with a step change of 50 kg h- . Streams specifications at
this condition of maximum CO production are shown in Table 4. CO concentration goes
through a maximum because the oxidation process goes through CO production. An
increased supply of oxygen results in further oxidation of CO to CO,.
3.5. Minimization

qf trace nitrogen compounds

A sensitivity analysis was carried out to investigate variation in concentration of other

species as a function of the oxygen flowrate, especially the undesired nitrogen com-

fi[

d
ot

=~+&
,,1,,,,,,,,,,1,,,,,,,,,,,,,,,,,,,,,,,

16650

LIII,

,,,,,,,,,,,,,,,,

17200

17550

17900

18250
02

Fig. 3. Variation of H,N concentration

16600

18950

19300

19650

20000

20350

20700

MASS FLOW RATE (KGIHR)

in the synthesis gas as a function of the oxygen mass flowrate

StreamID

Gl\

Hydrogen

oxygen

From
To

Reactm

Phase
S&stream:
Mole Flow

Vapor

VLlp0!MIXED
kmol h

CO

0.0

CO2

27.65403

0.0

0.0

0.0

0.0

XS6.7

I 83

6.555397

H20

0.0

0.0

0.0

N2

7.578905

0.0

0.0

H?

0.0

02

0.0

0.0

426.5785

HO

0.0

0.0

0.0

3.63662E

NO

0.0

0.0

0.0

-1.S3914E-X

0.0

0.0

0.0

0.0

0.0

0.0

2X.34085

3X.62486
7.355856

0.0

I54Y.839
h2646E

I?

- S

.0302SO8
S.03020E - I3

HO2

0.0

0.0

0.0

1.1 I IOE-

NO2

0.0

0.0

0.0

I.O86lE-

16

N20

0.0

0.0

0.0

Y.Y494E ~

I3

CN

0.0

0.0

0.0

3.79396E

HNO

0.0

0.0

0.0

0.0

0.0

0.0

II
II
1.I20hSE- 3
I .7549E - I I
.I112573
I .X3463E - Y

13

~ X

9.2117E-

S.3632E -

CHO

0.0

0.0

0.0

CH

0.0

0.0

0.0

CHN

0.0

0.0

0.0

HN

0.0

0.0

0.0

Cl
(2

6X6.6675

0.0

0.0

27.65303

0.0

0.0

I .7YX9OE

- 3

17.12473

0.0

0.0

4.13734E

- 7

1I

C3

20.73656

1C4

1.4802 IX

0.0

0.0

3.2159&

NC4

-1. I X36 IX

0.0

0.0

YWYOE-II

ICS

I .61568X

0.0

0.0

I .Y33SE

- I4

0.0

0.0

I.Y17OE-

I3

.9X34625

NC5
C6

2.583540

0.0

0.0

3.20hYE -- IX

COS

0.0

0.0

0.0

0.0

H2S

0.0

0.0

0.0

00

H3N

0.0

0.0

0.0

N203

0.0

0.0

0.0

,I218352
1.OS49E ~ 2X

CH20

0.0

0.0

0.0

CH2

0.0

0.0

0.0

0.0

0.0

0.0

I .026SE ~ 13

DMDS

0.0

0.0

0.0

0.0

CS2

0.0

Total Flow

kmolh

Total Flow

kph-

Total Flow

cumh-

x79.1222

Temperature

350.0000

Pressure

bar

Vapor Frac.

780.5258
14945.X3

46.00000

I .oooooo

0.0
28.44085
57.33333

I
~50.0000
32.0335

46.00000

I .oooooo

.o IO7207
2.4 I771E ~ 7

0.0

0.0
426.S785
I3650.00

74x0.129
28653. I I

403.3616

7455.77 I

250.0000

131).000

46.00000
I .nnoooo

46.00000
I .nnoooo

Table 4 (continued)
Partial oxidation of natural gas
Liquid Frac.
Solid Frac.
Enthalpy
Enthalpy
Enthalpy
Entropy
Entropy
Density
Density
Average MW

kcal mol-
kcalkg-
mmkcal h-
cal/mol-k
cal/_gm-k
kmol/cum
kg/cum

(0.0
0.0
- 17.08035
- X9 L.9982
- 13.33185
- 19.72065
- I xl2988

0.0
0.0
2.267b78
1124.907
.0644956
- 2.438420
- 1.I!09606

.X878467
17.00086

.8878467
I .x+9792

19.14842

2.015880

0.0
0.0
i .624403
50.76449
.6929539
- 3.530152
-.1103214
I It57558
33.84060
31.99880

0.0
0.0
- .0491280
- 4.252540
- .1218505
13.78313
1.193073
.3326589
3.843086
1 1.55263

pounds, detected in the synthesis gas. Keeping all reactor parameters constant as before,
the oxygen flowrate was increased from 16000 to 21000 with a step change of 200
kg h-r. The composition of the product stream was calculated for each step, streams
specifications tables were generated and species concentration variation curves were
plotted. Figs. 3-7 show that by increasing the OJCH,
ratio in the reactor feed, the
trace concentrations of H,N, CHN, CN and HN in the synthesis gas decreased
proportionally. However, the mole fractions of NO, HNO, N,O and N,O, increased due
to increased oxidation. Sensitivity analysis results also indicate that further reduction in

16650

Fig. 4. Variations
flowrate.

17200

17550

17900

18250
18600
18950
19300
02 MASS FLOW RATE (KGfHR)

of CHN, H and CHZO concentrations

19650

20000

20350

20700

in the synthesis gas as functions of the oxy@~ mas:

,,?:

,,

,ir
,A7

02 MASS FLOW RATE (KG/HIV

Variations

of CN, 0 and HN concentrations

in the synthesis

gas as functions

of the oxygen

mass

flowrate

16660

Fig. 6. Variations
flowrate.

17200

of C,H,,

17550

17900

16250
16600
16950
19900
02 MASS FLOW RATE (KG/HR)

O2 and HNO concentrations

19650

20000

20350

20700

in the synthesis gas as functions of the oxygen ~I~dss

M. Khoshnoodi,

Y.S. Lim / Fuel Processing

287

Technology 50 (1997) 2 75-289

02 MASS FLOW RATE (KG/HR)

Fig. 7. Variations

concentrations

of NO and CH,

in the synthesis

gas as functions

of the oxygen

mass

flOWdtf2.

R2;

/-

C-G

a
6:

,I

%I
9
2% 1
z dC

1
1
gi:
: /j

E
22.0

0 :
20.

0%
0
!

m-

i
i
!
gt /

1
??
i

ad
1

I,,
1000

1100

,
1200

1300

Fig. 8. Variation of CO concentration

Ia

10

14

1400
1500
1600
1700
REACTOR TEMPERATURE (C)

1
1600

1900

in the synthesis gas as a function of the reactor temperature

2000

at 46 bar.

oxygen flowrate, would not change the trend of the concentration curves and they do not
go through a maximum or a minimum. The range of the oxygen flowrate was chosen so
that most nitrogen compounds had comparable concentrations.
However, these concentrations at the condition of maximum CO production are calculated and shown in Table
4.
3.6. Optimization

of reactor temperature

A sensitivity analysis was carried out to find the reactor temperature which results in
maximum CO concentration in the synthesis gas stream. Keeping all parameters constant
as in the general simulation case (46 bar), the reactor temperature was increased
gradually from 1000 to 2000C with a step change of 10 C. Fig. 8 shows that the CO
mole fraction rose steeply to 0.3328 at 14OOC, and after that it remained almost
constant. The experimental value for the synthesis gas reactor temperature was 1390 C
resulting in a CO mole % of 0.3326.

4. Conclusion
The ASPEN PLUS process simulator was found to be a powerful package to simulate
the process of synthesis gas production from partial oxidation of natural gas. The
combustion databank which contains the thermochemical properties of radicals allowed
modeling of complex steady state combustion calculations. Considering the variety of
applications for synthesis gas in the production of many chemicals especially liquid
fuels, the process simulator proved helpful for operational modifications
as well as
design considerations.
General simulation results were comparable with previous work
and other simulation software [ 15,161. Sensitivity analysis modeling allowed the prediction of the composition of the synthesis gas when the relative feed flowrates or reactor
parameters were varied over a wide span, without real experimentation
on the plant
which could disturb production operation. Most experimental data from the Shell MDS,
Bintulu plant could be repeated successfully in virtual operations and some production
guidelines were suggested by utilizing sensitivity analysis and design specification tools
incorporated in the simulator 1141.

Acknowledgements
The authors would like to express their gratitude to the Shell MDS Malaysia Sdn.
Bhd. for the technical and financial support of this project. Assistance from the staff of
the computer center at the Faculty of Chemical and Natural Resources Engineering,
Universiti Teknologi Malaysia and in the University of Sistan and Baluchestan is also
appreciated.

M. Khoshnoodi,

Y.S. Linl/

Fuel Processiq

Technology

50 (1997) 275-289

289

References
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