Development of equipment design tools from experimental ... · Development of equipment design...

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


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Agenda

Introduction



Experimental series




– One dimensional

– CFD calculation




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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


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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)


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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


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Agenda

Introduction



Experimental series




– One dimensional

– CFD calculation




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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


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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 ()


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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]


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Agenda

Introduction



Experimental series




– One dimensional

– CFD calculation




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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


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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]


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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]


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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]


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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


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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]


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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


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Agenda

Introduction



Experimental series




– One dimensional

– CFD calculation




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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


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Thank you very much

for your attention!

Contact:

E-Mail: [email protected] Phone: +49 231 / 547 – 72 46 www.uhde.eu

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