Download Document 8937609

Undergraduate
Category: Engineering and Technology
Degree Level: Candidates for BS in Chemical Engineering
Abstract ID# 1258
Combatting Climate Change Through the Technology of Today
Patrick Hanbury, Scott Sherman, Patrick Walsh
Abstract
Introduction:
Reaction Mechanism Generator (RMG) software expands a core reaction
network using a rate-based approach [1], taking chemical knowledge in the
form of reaction family rate rules and group additivity values, to create a
kinetic model for any given starting species and reactor conditions
References:
•
Shen, H. S., Steinberg, J., Vanderover, J., & Oehlschlaeger, M. A.
(2009). A Shock Tube Study of the Ignition of n-Heptane, nDecane, n-Dodecane, and n-Tetradecane at Elevated Pressures.
Energy & Fuels Energy Fuels, 23(5), 2482-2489.
•
Gao, C. W., Allen, J. W., Green, W. H., & West, R. H. (2016).
Reaction Mechanism Generator: Automatic construction of
chemical kinetic mechanisms. Computer Physics Communications.
•
Zhukov, V. P., Sechenov, V. A., & Starikovskii, A. Y. (2008).
Autoignition of n-decane at high pressure.Combustion and Flame,
153(1-2), 130-136.
•
Zhukov, V. (2009). About kinetic modelling of n-decane
autoignition. Combustion and Flame, 156(8), 1674-1676.
Acknowledgments:
We would like to thank Prof. Richard H. West, our
principal investigator, and the entire CoMoChEng lab
for their continued support. Additional support comes
from the Department of Chemical Engineering at
Northeastern University, and close collaboration with
Prof. William Green’s research group at the
Department of Chemical Engineering at the
Massachusetts Institute of Technology.
Data/Results
Goal:
3000
0.00006
φ=1
2500
Ignition Delay Time
0.00005
OH Mole Fraction
Provide
models so
better
engines
and
bio-fuels
can be
developed
to fight
climate
change
OH vs. Time
n-Decane RMG vs Experimental Data
2000
τ (us)
Introduction/Background
1500
1000
500
0.00004
0.00003
0.00002
0.00001
0
0.8
0.9
1
1.1
1.2
1.3
1.4
1000/T(K)
RMG
Experimental Data
The graph above displays RMG’s output
compared against experimental data from a
researcher at Rensselaer Polytechnic Institute.
This data teaches us where our software is not
accurate, especially at lower temperatures.
Conclusion
1.5
0
0
500
1000
1500
2000
2500
3000
Time (µs)
The graph above displays an example
of the ignition delay time graphs we
used to analyze our data. We used the
max OH concentration to determine
the time of ignition at each
temperature and pressure.