This document summarizes a study that used stoichiometric and thermodynamic modeling to predict hydrogen production from the biomass Imperata cylindrica. The study found that steam reforming of bio-oils derived from I. cylindrica pyrolysis can produce hydrogen. Optimization analysis identified the optimal conditions as 1 atm pressure, 450-750°C temperature range, and a steam-to-feed ratio of 10, under which hydrogen yield varied between 0.6-0.7 by mass fraction. The effects of temperature, pressure, and steam-to-feed ratio on product composition were also examined.

1. Prediction of Hydrogen Production
from Imperata cylindrica Using
Stoichiometric and
Thermodynamic Model
Olagoke Oladokun
Arshad Ahmad*
Tuan A.T. Abdullah
Bemgba B. Nyakuma
Mohd Fadhzir A. Kamaroddin
Husna M Nor
Institute of Future Energy, Centre for Hydrogen Energy
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2. Outline
1. Need for Research
2. Methods
3. Results
4. Conclusion
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3. Need for Research, Why?
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Cleaner
Environment
Exploitation of
Imperata Cylindrica
(Lalang)
Thermochemical
Conversion and
Hydrogen
generation

4. Imperata cylindrica (Lalang)
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Bio-oil
Pyrolysis
H2
Steam Reforming

5. Problem Statement
• Current Hydrogen gas source is from
fossil fuel
• Biomass is a cleaner source and
thermochemical process like pyrolysis
can produce little gas product bio-oil.
• I. cylindrica is a nightmare weed
• Therefore, the need to determine the
amount of hydrogen from the biooil I.
cylindrica.
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6. Methods
• Thermodynamic Analysis
• ASPEN Plus
• RGibbs Reactor
• Aqueous components
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Formic
Acid
Propanoic
Acid
Oleic
Acid
Hexadecanoic
Acid
Octanol
Molecular formula CH2O2 C3H6O2 C18H34O2 C16H32O2 C8H18O
Molar mass (g.mol-1) 46.03 74.08 282.47 256.43 130.23
Boiling point (oC) 100.8 141.15 360 351 195
Melting point (oC) 8.4 -20.5 13 62.9 -16
Flash point (oC) 69 54 206

7. Methods Continue
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CnHmOk + (n – k)H2O  nCO + (n + m/2 – k)H2
nCO + nH2O  nCO2 + nH2
CnHmOk + (2n – k)H2O  nCO2 + (2n + m/2 – k)H2
CnHmOk + H2O  CnHmOk + CO + H2 + CO2 + CH4 + C
Steam Reforming
Water Shift
Combine Equation
Simulation overall Equation

8. Methods Continue
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The sensitivity and optimization analysis involves a wide
range of operating conditions including
Temperature (100 – 1000 oC)
Pressure (1 – 10 atm)
Steam to fuel ratio (1-10)

9. Results
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Units Formic
Propano
ic Oleic
Hexadec
anoic
Octanol
H2 kmol/s 0.98 5.98 15.00 18.00 16.63
CO kmol/s 0.02 0.95 12.00 12.00 7.36
CO2 kmol/s 0.98 2.03 0.00 0.00 0.64
CH4 kmol/s 0.00 0.02 6.00 4.00 0.00
Pressure Atm 1 1 1 1 1
S/F 10 10 10 10 10
Tempera
ture oC 519.05 673.97 1000 1000 1000
Optimization analysis result for maximum Hydrogen production

10. Effect of temperature on Steam
reforming product composition
10
0.00
0.10
0.20
0.30
0.40
0.50
0.60
0.70
0.80
100 200 300 400 500 600 700 800 900 1000
MoleFraction
Temperature (oC)
Formic Acid
CO CO2 H2 CH4
0.00
0.10
0.20
0.30
0.40
0.50
0.60
0.70
100 200 300 400 500 600 700 800 900 1000
MoleFraction
Temperature (oC)
Propanoic Acid
CO CO2 H2 CH4

11. Effect of temperature on Steam
reforming product composition
11
0.00
0.10
0.20
0.30
0.40
0.50
0.60
0.70
0.80
100 200 300 400 500 600 700 800 900 1000
MoleFraction
Temperature (oC)
Oleic Acid
CO CO2 H2 CH4
0.00
0.10
0.20
0.30
0.40
0.50
0.60
0.70
0.80
100 200 300 400 500 600 700 800 900 1000
MoleFRraction
Temperature (oC)
Hexadecanoic Acid
CO CO2 H2 CH4

12. Effect of temperature on Steam
reforming product composition
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0.00
0.10
0.20
0.30
0.40
0.50
0.60
0.70
0.80
100 200 300 400 500 600 700 800 900 1000
MoleFraction
Temperature (oC)
Octanol
CO CO2 H2 CH4

13. 13
H2 yield from steam reforming of bio-oil
0
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
100 200 300 400 500 600 700 800 900 1000
MoleFraction
Temperature (oC)
Formic
Propanoic
Oleic
Hexadecanoic
Octanol

14. 14
Effect of Steam-Feed Ration and Pressure
on H2 yield
0.00
0.10
0.20
0.30
0.40
0.50
0.60
0.70
100 200 300 400 500 600 700 800 900 1000
MoleFraction
Temperatrure (oC)
Operating Pressure
1 atm
5 atm
6 atm
10 atm
0
0.1
0.2
0.3
0.4
0.5
0.6
0.7
100 200 300 400 500 600 700 800 900 1000
MoleFraction
Temperature (oC)
Steam-Feed Ratio
S/F =1
S/F =5
S/F =6
S/F =10

15. 15
H2 yield from steam reforming of bio-oil

16. Conclusion
1. The stoichiometric and thermodymic
analysis was successfully carriedout in
ASPEN Plus.
2. The optimal operating conditions were
1 atm, temperature range 450 – 750 oC
and steam-feed ratio of 10.
3. The yield of H2 varies from by mass
fraction of 0.6 ±0.1
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17. THANK YOU!!!
For Listen
Acknowledgement.
The authors acknowledge the financial support
from the Ministry of Higher Education
(MOHE) and Universiti Teknologi Malaysia (UTM)
GUP Grant (VOT No. 05H04).
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