development of equipment design tools from …...catalyst free zone oxygen inlet manhole catalyst...
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Development of equipment design tools from experimental data using the example of autothermal reforming Dr. Katja Poschlad, Dr. Joachim Johanning, Christiane Potthoff
Nitrogen + Syngas, Berlin, 06.03.2013
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
2
Agenda
Introduction
– Autothermal reformer (ATR)
– ThyssenKrupp Uhde‘s pilot plant
Experimental series
– Soot formation boundary
– Methane conversion
Development of ATR design tools
– One dimensional calculation
– CFD calculation
– Automated design optimization
Conclusion and outlook
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
3
Agenda
Introduction
– Autothermal reformer (ATR)
– ThyssenKrupp Uhde‘s pilot plant
Experimental series
– Soot formation boundary
– Methane conversion
Development of ATR design tools
– One dimensional
– CFD calculation
– Automated design optimization
Conclusion and outlook
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
4
Introduction Autothermal reformer
Alternative to primary and
secondary reformer
Internal heat generation
Main reactions:
CH4+2O2CO2+2H2O
2CH4+O22CO+4H2
Autotherm
Catalyst free reforming
CH4+H2OCO+3H2
CO+H2O CO2+H2
Catalytic reaction
Small T-Approach
Catalyst free zone
Oxygen inlet
Manhole
Catalyst
Refractory
Water jacket
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
5
Introduction ThyssenKrupp Uhde’s pilot plant
Natural gas
Propane
Steam
Quench water outlet
Quench water inlet
Oxygen
Nitrogen
to flare
Hydrogen
feed / steam
supply
oxidant supply
cooling circuit
for nozzles Online GC
Syngas (1000 Nm³/h max)
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
6
Introduction ThyssenKrupp Uhde’s pilot plant
- Starting in 2009
- Two online analysis points (GC)
- H2 - CO - CO2
- N2 - CH4 - O2/Ar
- About 2000 experiments differing in
- Pressure
- Temperature
- Steam to carbon ratio
- Nitrogen content
- Amount of catalyst
- Reactor load
- Geometry
Togliatti, Russia
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
7
Agenda
Introduction
– Autothermal reformer (ATR)
– ThyssenKrupp Uhde‘s pilot plant
Experimental series
– Soot formation boundary
– Methane conversion
Development of ATR design tools
– One dimensional
– CFD calculation
– Automated design optimization
Conclusion and outlook
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
8
Experimental series Soot formation boundary
101
99 100 99
99
102 101 102
98 99
100 100
100 101
99
S/C
Ou
tle
t te
mp
era
ture
Constant pressure, constant N2 content, constant load (98%-102%)
Experiments without catalyst
Start
No
so
ot
So
ot
Soot formation
boundary
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
9
Experimental series Methane conversion
0
5
10
15
20
25
30
35
40
45
50
O/C ratio
con
cen
tra
tion
[m
ol%
dry
]
Concentration of H2 (red) and CH4 (blue) at inlet condition (),
upstream catalyst bed () and downstream the catalyst bed ()
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
10
Experimental series Methane conversion
0
10
20
30
40
50
60
70co
nce
ntr
atio
n [m
ol%
ab
s.] CH4
H2
CO
CO2
N2
H2O
load of 100% load of 50%
O/C ratio O/C ratioO/C ratio O/C ratioO/C ratio
Concentration upstream catalyst bed, constant pressure, constant nitrogen content
S/C = 3 S/C = 3 S/C = 1.8 S/C = 1.8 S/C = 0.6
concentr
ation
mol%
wet]
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
11
Agenda
Introduction
– Autothermal reformer (ATR)
– ThyssenKrupp Uhde‘s pilot plant
Experimental series
– Soot formation boundary
– Methane conversion
Development of ATR design tools
– One dimensional
– CFD calculation
– Automated design optimization
Conclusion and outlook
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
12
Development of ATR design tools One dimensional - model
CnH2n+2 + n 0.5 O2 n CO + 2n H2
CO + 0.5 O2 CO2
H2 + 0.5 O2 H2O
CH4 + H2O CO + 3 H2
CO + H2O CO2 + H2
Kinetic approach for reforming:
combustion
part
reforming
section
catalyst
bed
Feed first analysis
point
second
analysis point
Catalyst free reaction zone
224 HCOOHCHA pppp
RT
EAtr exp
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
13
Development of ATR design tools One dimensional – conversion results
0
10
20
30
40
50
60
70co
nce
ntr
atio
n [m
ol%
ab
s.] CH4
H2
CO
CO2
N2
H2O
load of 100% load of 50%
O/C ratio O/C ratioO/C ratio O/C ratioO/C ratio
Concentration upstream catalyst bed, constant pressure, constant nitrogen content
S/C = 3 S/C = 3 S/C = 1.8 S/C = 1.8 S/C = 0.6
concentr
ation
mol%
wet]
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
14
Development of ATR design tools CFD calculation – 2D
Main fluid flow
Gravity
Inlet zone Outlet zone Non catalytic reaction zone
• 2D-Model for fast simulation
• For checking the transfer of kinetics
• Possibility of readjusting parameters
Temperature distribution for a cylindrical tube (2D-calculation)
T [°C]
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
15
Development of ATR design tools CFD calculation – 2D
Concentration of H2 (red) and CH4 (blue) simulated with AspenPlus (solid) and Fluent (dashed)
0
5
10
15
20
25
30
35
-1 0 1 2 3 4 5 6 7
t [s]
co
ncen
trati
on
[m
ol%
wet]
0
5
10
15
20
25
30
35
-1 0 1 2 3 4 5 6 7
t [s]
co
ncen
trati
on
[m
ol%
wet]
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
16
Development of ATR design tools CFD calculation – 3D
steam + NG after swirler
3 oxidant inlets
beginning of
packed bed
process
gas outlet
porous zone
catalyst free
reactive zone
• Geometry like ATR pilot plant
• Swirled feed/steam mixtures
• Narrow meshing around oxidant nozzles
• Porous zone without reaction
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
17
Development of ATR design tools CFD calculation – 3D
Concentration of H2 (red) and CH4 (blue) simulated with AspenPlus (solid) and Fluent (dashed)
0
5
10
15
20
25
30
35
-1 0 1 2 3 4 5t [s]
concentr
ation [
mol%
wet]
0
5
10
15
20
25
30
35
-1 0 1 2 3 4 5t [s]
concentr
ation [
mol%
wet]
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
18
Initial values: S/C; O/C; NG; Volume
Development of ATR design tools Automated design optimization (1D)
Determine amount of oxygen and steam
Calculate cost of inlet streams
T range
ok?
vary NG
vary S/C
vary volume
Calculate catalytic free reactions
Calculate catalytic reactions
CH4 slip ok?
yes
no
yes
no
yes
no
yes no
Syngas amount ok?
Determine amount of nitrogen
Cost optimum?
User Input
Specifications:
- Feed temperature
- Feed composition
- Pressure
- Specific costs
Requirements:
- H2 : N2 - ratio
- T-range
- CH4-slip
- Amount of syngas
vary O/C
Results:
- Feed streams
- Volumes
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
19
Agenda
Introduction
– Autothermal reformer (ATR)
– ThyssenKrupp Uhde‘s pilot plant
Experimental series
– Soot formation boundary
– Methane conversion
Development of ATR design tools
– One dimensional
– CFD calculation
– Automated design optimization
Conclusion and outlook
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
20
Conclusion and outlook
Current status:
o Analysis of more than 2000 experimental data points
o Development of kinetics for catalyst free zone
o Development of three-dimensional CFD-Model
Next steps:
o Completion of automated optimization program
o Extension of Fluent model
Quickly identify the most efficient ATR-based process
for any given plant requirement
Development of equipment design tools
06.03.2013
Nitrogen+Syngas, Dr. K. Poschlad
21
Thank you very much
for your attention!
Contact:
E-Mail: [email protected] Phone: +49 231 / 547 – 72 46 www.uhde.eu