Implementation of detailed chemistry in large-scale combustion computations

187 Pages·2016·25.9 MB·English

2.2. | IL MARCHIO, IL LOGOTIPO: LE DECLINAZIONI
Politecnico di Milano
Dipartimento di Chimica, Materiali e Ingegneria Chimica "G. Natta"
Doctoral Programme In Industrial Chemistry and Chemical Engineering
Implementation of detailed chemistry in
large-scale combustion computations
Doctoral Dissertation of:
Alessandro STAGNI 802364
Supervisor:
Prof. Tiziano FARAVELLI
Tutor:
Prof. Giuseppe RESNATI
The Chair of the Doctoral Program:
Prof. Alessio FRASSOLDATI
XXVIII Cycle – 2013/2015
Copyright ©2013 – 2016 Alessandro Stagni
All rights reserved.
To my family

“Considerate la vostra semenza:
fatti non foste a viver come bruti,
ma per seguir virtute e canoscenza.”
Dante Alighieri (1265-1321)
La Divina Commedia, Inferno XXVI, 118-120

Acknowledgements
At the end of this Ph.D. experience, recognizing the roles of all those who have
someway contributed to this final accomplishment is more than appropriate. First
of all, I would like to thank Professor Tiziano Faravelli for the continuous support
and the helpful discussions throughout these years. I am also grateful to Profes-
sors Eliseo Ranzi, Alessio Frassoldati and Alberto Cuoci for their key role in my
educational growth, and for introducing me to combustion science in its countless
facets. I appreciated the availability of Professors Pascale Desgroux and Tamás
Turányi, too, for being the external examiners of my defense committee.
I would like to thank Professor Matthias Ihme for allowing me to carry out 10
months of my Ph.D. at Stanford University, where I had the privilege to com-
plete my educational path, and to make a significant step forward in my personal
growth. The active cooperation with his group is fully recognized, with a partic-
ular mention to Lucas Esclapez, Hao Wu, Je� O’Brien and Pavan Govindaraju.
The whole CRECK modeling group at Politecnico di Milano deserves a specific
acknowledgement. Thanks to Giancarlo Gentile and Matteo Pelucchi for sharing
memorable moments, inside and outside the university walls; to Chiara Saggese
and Mattia Bissoli, with whom I have shared almost 10 years of Chemical En-
gineering studies; to Tiziano Ma�ei, for his guiding role as “experienced” Ph.D.
in our group; and to Isabella Branca, for her unconditioned help in solving our
everyday problems. Thanks also to Ste�en Salenbauch and Michael Evans, whose
friendship extended well beyond their visiting period at Politecnico.
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Gratefulness to my Ph.D. colleagues, whom I had the pleasure to meet in these
years within Politecnico. This common path has been full of exciting experiences,
which have made the everyday life at Politecnico pretty enjoyable. A special
mentionalsogoestomylongtimefriends: CarloMariaCampelli, MatteoD’Isanto,
Stefano Langè, Giorgio Belfiore, who have kept playing a major role in my life in
spite of the geographical distance.
Finally, thanks to my family for the unconditioned support during these years,
without whom this experience could have never started four years ago, continued
in the United States and ended up today.
Milan, July 12th, 2016
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Publications
Cuoci, A., Frassoldati, A., Stagni, A., Faravelli, T., Ranzi, E., & Buzzi-Ferraris,
G. (2013). Numerical modeling of NO formation in turbulent flames using a
x
kinetic post-processing technique. Energy & Fuels, 27(2), 1104-1122.
Stagni, A., Cuoci, A., Frassoldati, A., Faravelli, T., & Ranzi, E. (2014).
A fully coupled, parallel approach for the post-processing of CFD data through
reactor network analysis. Computers & Chemical Engineering, 60, 197-212.
Stagni, A., Cuoci, A., Frassoldati, A., Faravelli, T., & Ranzi, E. (2014).
Lumping and reduction of detailed kinetic schemes: an e�ective coupling. Indus-
trial & Engineering Chemistry Research, 53(22), 9004-9016.
Ranzi, E., Frassoldati, A., Stagni, A., Pelucchi, M., Cuoci, A., & Faravelli,
T. (2014). Reduced Kinetic Schemes of Complex Reaction Systems: Fossil and
Biomass-Derived Transportation Fuels. International Journal of Chemical Kinet-
ics, 46(9), 512-542.
Pelucchi, M., Bissoli, M., Cavallotti, C., Cuoci, A., Faravelli, T., Frassol-
dati, A., Ranzi, E. & Stagni, A. (2014). Improved Kinetic Model of the Low-
Temperature Oxidation of n-Heptane. Energy & Fuels, 28(11), 7178-7193.
Frassoldati, A., D’Errico, G., Lucchini, T., Stagni, A., Cuoci, A., Faravelli, T.,
Onorati, A. & Ranzi, E. (2015). Reduced kinetic mechanisms of diesel fuel surro-
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gate for engine CFD simulations. Combustion and Flame, 162(10), 3991–4007.
Stagni, A., Frassoldati, A., Cuoci, A., Faravelli, T., & Ranzi, E. (2016).
Skeletal mechanism reduction through species-targeted sensitivity analysis. Com-
bustion and Flame, 163, 382-393.
Bernardi, M.S., Pelucchi, M., Stagni, A., Sangalli, L.M., Cuoci, A., Fras-
soldati, A., Secchi, P., & Faravelli, T. (2016). Curve Matching, a generalized
framework for models/experiments comparison: an application to n-heptane com-
bustion kinetic mechanisms. Combustion and Flame, 168, 186-203.
Evans, M.J., Medwell, P.R., Tian, Z., Frassoldati, A., Cuoci, A., & Stagni, A.
(2016). Ignition Characteristics in Spatially Zero-, One- and Two- Dimensional
Laminar Ethylene Flames. AIAA Journal, in press.
Frassoldati, A., Cuoci, A., Stagni, A., Faravelli, T., &Ranzi, E.(2016). Skele-
tal kinetic mechanism for Diesel combustion. Combustion Theory and Modeling,
under review.
Stagni, A., Esclapez, L., Govindaraju, P., Cuoci, A., Faravelli, T., & Ihme,
M. (2016). The role of preferential evaporation on the ignition of multicompo-
nent fuels in a homogeneous spray/air mixture. Proceedings of the Combustion
Institute 36, in press.
Evans, M.J., Medwell, P.R., Wu, H., Stagni, A., & Ihme, M. (2016). Clas-
sification and Lift-O� height prediction of non-premixed MILD and autoignitive
flames. Proceedings of the Combustion Institute 36, in press.
Franzelli, B., Cuoci, A., Stagni, A., Ihme, M., Faravelli, T., & Candel, S.
(2016). Numerical investigation of soot-flame-vortex interactions. Proceedings of
the Combustion Institute 36, accepted for oral presentation.
Maringer, G., Frassoldati, A., Gehmlich, R., Stagni, A., Ranzi, E., Seshadri,
K. (2016). Autoignition of Condensed Hydrocarbon Fuels in Nonpremixed Flows
at Elevated Pressures. Combustion Theory and Modeling, under review.
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