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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.