Chemical kinetic modeling of H{sub 2} applications
- Lawrence Livermore National Lab., CA (United States); and others
Work being carried out at LLNL has concentrated on studies of the role of chemical kinetics in a variety of problems related to hydrogen combustion in practical combustion systems, with an emphasis on vehicle propulsion. Use of hydrogen offers significant advantages over fossil fuels, and computer modeling provides advantages when used in concert with experimental studies. Many numerical {open_quotes}experiments{close_quotes} can be carried out quickly and efficiently, reducing the cost and time of system development, and many new and speculative concepts can be screened to identify those with sufficient promise to pursue experimentally. This project uses chemical kinetic and fluid dynamic computational modeling to examine the combustion characteristics of systems burning hydrogen, either as the only fuel or mixed with natural gas. Oxidation kinetics are combined with pollutant formation kinetics, including formation of oxides of nitrogen but also including air toxics in natural gas combustion. We have refined many of the elementary kinetic reaction steps in the detailed reaction mechanism for hydrogen oxidation. To extend the model to pressures characteristic of internal combustion engines, it was necessary to apply theoretical pressure falloff formalisms for several key steps in the reaction mechanism. We have continued development of simplified reaction mechanisms for hydrogen oxidation, we have implemented those mechanisms into multidimensional computational fluid dynamics models, and we have used models of chemistry and fluid dynamics to address selected application problems. At the present time, we are using computed high pressure flame, and auto-ignition data to further refine the simplified kinetics models that are then to be used in multidimensional fluid mechanics models. Detailed kinetics studies have investigated hydrogen flames and ignition of hydrogen behind shock waves, intended to refine the detailed reactions mechanisms.
- Research Organization:
- National Renewable Energy Lab. (NREL), Golden, CO (United States)
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 183285
- Report Number(s):
- NREL/CP-430-20036-Vol.1; CONF-9504160-VOL.1; ON: DE95013153; TRN: 95:008710-0010
- Resource Relation:
- Conference: 1995 DOE/NREL hydrogen program review, Coral Gables, FL (United States), 18-21 Apr 1995; Other Information: PBD: Sep 1995; Related Information: Is Part Of Proceedings of the 1995 US DOE hydrogen program review, Volume 1; PB: 404 p.
- Country of Publication:
- United States
- Language:
- English
Similar Records
Multi-Dimensional Computational Combustion of Highly Dilute, Premixed Spark-Ignited Opposed-Piston Gasoline Engine Using Direct Chemistry With a New Primary Reference Fuel Mechanism
Simplified jet-A kinetic mechanism for combustor application