Abstract
Simulated results from a detailed elementary reaction mechanism for methane-containing species in flames consisting of nitrogen (NOx), C1 or C2 fuels are presented, and compared with reduced mechanism; this mechanism have been constructed with the analysis of the rate sensitivity matrix f (PCAF method), and the computational singular perturbation (CSP). The analysis was performed on solutions of unstrained adiabatic premixed flames with detailed chemical kinetics described by GRI 3.0 for methane including NOx formation. A 9-step reduced mechanism for methane has been constructed which reproduces accurately laminar burning velocities, flame temperatures and mass fraction distributions of major species for the whole flammability range. Many steady-state species are also predicted satisfactorily. This mechanism is especially for lean flames. This mechanism is accurate for a wide range of the equivalence ratio (1, 0.9, 0.8, and 0.7) and for pressures as high as 40 atm to 60 atm. For both fuels, the CSP algorithm automatically pointed to the same steady-state species as those identified by laborious analysis or intuition in the literature and the global reactions were similar to well established previous methane-reduced mechanisms. This implies that the method is very well suited for the study of complex mechanisms for heavy hydrocarbon combustion.
Highlights
The primary aim of most recent research in applied and industrial chemistry is to contribute to the protection of the environment
We reduced the detailed mechanism of the methane combustion in air by using the PCAF method combined with the computational singular perturbation (CSP) algorithm at high pressure 40 atm to 60 atm [3,4]
In order to validate the reduced mechanism obtained in the previous sections of this paper, we compare the results obtained with the reduced mechanism (9-Step) to those obtained with the detailed mechanism GRI-3.0
Summary
The primary aim of most recent research in applied and industrial chemistry is to contribute to the protection of the environment. The ultimate level of information is when the process is described by a detailed reaction mechanism. Such reaction mechanisms are available for many important processes and the parameterized temperature and pressure dependence of all rate coefficients. This mechanism is usually utilized in the following three steps. Inspection of the additional chemical process introduced by increasing the steps in the reduced mechanism will reveal additional features of the flames dynamics. We reduced the detailed mechanism of the methane combustion in air by using the PCAF method combined with the CSP algorithm at high pressure 40 atm to 60 atm [3,4]. We consisted to determine and analyses the global reduced mechanism of the methane/air combustion (GRI-3.0) [5]
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