| Zugriffsnummer | 32669 |
| Dokumenttyp | Zeitschriftenartikel |
| Sprache | Englisch |
| Titel | Concerted development of biofuel production and utilization: a coordinated Investigation of diisopropyl Ketone a prototypical biofuel |
| Autor(in); Institution |
Allen, Joshua W.; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, USA
Scheer, Adam M.; b Combustion Research Facility, Sandia National Laboratories Livermore, USA
Gao, Connie W.; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, USA
Merchant, Shamel S.; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, USA
Vasu, Subith S.; Mechanical and Aerospace Engineering, University of Central Florida, Orlando, USA
Welz, Oliver; Combustion Research Facility, Sandia National Laboratories Livermore, USA
Savee, John D.; Combustion Research Facility, Sandia National Laboratories Livermore, USA
Osborn, David L.; Combustion Research Facility, Sandia National Laboratories Livermore, USA
Lee, Changyoul; RWTH, Physico-Chemical Fundamentals of Combustion, Aachen, GERMANY
Vranckx, Stijn; RWTH, Physico-Chemical Fundamentals of Combustion, Aachen, GERMANY
Wang, Zhandong; University of Science and Technology of China, National Synchrotron Radiation Laboratory, Anhui, CHINA
Qi, Fei; University of Science and Technology of China, National Synchrotron Radiation Laboratory, Anhui, CHINA
Fernandes, Ravi; 3.3, Thermophysikalische Größen, PTB-Braunschweig; RWTH, Physico-Chemical Fundamentals of Combustion, Aachen, GERMANY
Green, William H.; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, USA
Hadi, Masood Z.; Sandia National Laboratories, Biomass Conversion Technologies, Livermore, USA
Taatjes, Craig A.; Combustion Research Facility, Sandia National Laboratories Livermore, USA
|
| Quelle/Jahr | Combustion and Flame: 161 (2014), 711 - 724 |
| ISSN | 0010-2180 (PRINT) ; 1556-2921 (ONLINE) |
| DOI | |
| Verlag | New York: Elsevier |
| Freie Schlagworte | diisopropyl ketone ; automatic mechanism generation ; ignition delay ; pyrolysis ; combustion ; detailed kinetics modeling |
| Zusammenfassung | Several classes of endophytic fungi have been recently identified that convert cellulosic biomass to a range of ketones and other oxygenated molecules, which are potentially viable as biofuels, but whose oxidation chemistry is not yet well understood. In this work, we present a predictive kinetics model describing the pyrolysis and oxidation of diisopropyl ketone (DIPK) that was generated automatically using the Reaction Mechanism Generator (RMG) software package. The model predictions are evaluated against three experiments that cover a range of temperatures, pressures, and oxygen concentrations: Synchrotron photoionization mass spectrometry (PIMS) measurements of pyrolysis in the range 800–1340 K at 30 Torr and 760 Torr; Synchrotron PIMS measurements of laser photolytic Cl-initiated oxidation from 550 K to 700 K at 8 Torr; and Rapid-compression machine measurements of ignition delay between 591 K and 720 K near 10 bar. Improvements made to the model parameters, particularly in the areas of hydrogen abstraction from the initial DIPK molecule and low-temperature peroxy chemistry, are discussed. Our ability to automatically generate this model and systematically improve its parameters without fitting to the experimental results demonstrates the usefulness of the predictive chemical kinetics paradigm. |
Zitierung
Allen, J. W., Scheer, A. M., Gao, C. W., Merchant, S. S., Vasu, S. S., Welz, O., Savee, J. D., Osborn, D. L., Lee, C., Vranckx, S., Wang, Z., Qi, F., Fernandes, R., Green, W. H., Hadi, M. Z., & Taatjes, C. A. (2014). Concerted development of biofuel production and utilization: a coordinated Investigation of diisopropyl Ketone a prototypical biofuel. Combustion and Flame, 161, 711–724. https://doi.org/10.1016/j.combustflame.2013.10.019