Detailed and Global Chemical Kinetics Model for Hydrogen

Detailed and global chemical kinetic computations for hydrogen-air mixtures have been performed to describe flame propagation, flame structure and ignition phenomena. Simulations of laminar flame speeds, flame compositions and shock tube ignition delay times have been successfully performed. Sensitivity analysis was applied to determine the governing rate-controlling reactions for the experimental data sets examined. In the flame propagation and structure studies, the reactions, OH+ H{sub 2}= H{sub 2}0+ H, 0+ H{sub 2}= OH+ H and 0+ OH= 0{sub 2}+ H were the most important in flames. The shock tube ignition delay time study indicated the H+ 0{sub 2}+ M= H0{sub 2}+ M (M= N{sub 2}, H{sub 2}) and 0+ OH= 0{sub 2}+ H reactions controlled ignition. A global rate expression for a one-step overall reaction was developed and validated against experimental hydrogen-air laminar flame speed data. The global reaction expression was determined to be 1.8{times} 10{sup 13} exp({minus}17614K/T)[H{sub 2}]{sup 1.0}[O{sub 2}]{sup 0.5} for the single step reaction H{sub 2}+ 1/2O{sub 2}= H{sub 2}O.