A Method for Skeleton Simplification of Detailed Combustion Chemical Reaction Mechanism
A technology for chemical reaction mechanism and skeleton simplification, applied in software simulation/interpretation/simulation, program control devices, etc., it can solve the problem that chemical rationality and reliability cannot be effectively considered, and achieve the effect of simplification of detailed mechanism and preservation of rationality
Active Publication Date: 2017-09-01
CHINA UNIV OF MINING & TECH
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[0006] The technical problem to be solved by the present invention is: to overcome the deficiency that the existing detailed combustion chemical reaction mechanism skeleton simplification method cannot effectively consider the chemical rationality and reliability, and propose a detailed combustion chemical reaction based on the combination of element flow analysis and error propagation Mechanism Skeleton Simplification Method
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[0025] figure 1 The overall processing flow of a detailed combustion chemical reaction mechanism skeleton simplification method based on the combination of element flow analysis and error propagation proposed by the present invention is given. The present invention will be further described in detail below in conjunction with other drawings and specific embodiments.
[0026] The embodiment of the present invention is to simplify the detailed combustion chemical reaction mechanism of methyl butyrate including 275 species and 1549 steps of elementary reactions. Through the analysis of this embodiment, the present invention is described in detail. The main steps of the embodiment are as follows:
[0027] (1) Pre-simulation stage: The ignition delay time of methyl butyrate fuel was simulated in the range of pressure from 1 to 30 atmospheres, temperature from 650 to 1700K and stoichiometric ratio from 0.5 to 2.0 using detailed combustion chemical reaction mechanism, Significant da...
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The invention discloses a method for simplifying the skeleton of a detailed combustion chemical reaction mechanism, comprising the following steps: in the pre-simulation stage, using the detailed combustion reaction mechanism to simulate the combustion properties of fuel, and performing data sampling on the simulation results; selecting important species in the mechanism, setting Set the threshold, use the method of element flow analysis combined with error propagation to calculate the contribution of other species to the important species, and compare with the set threshold, delete the species whose contribution to the important species in the detailed mechanism is less than the set threshold, and obtain the corresponding skeleton mechanism ;Change different thresholds and repeat the second step to obtain the skeleton mechanism corresponding to different thresholds; use the skeleton mechanism obtained by different thresholds to simulate the combustion properties of the fuel, compare the simulation results with the results of the pre-simulation stage, and the results are within an acceptable error range , select the desired skeleton mechanism.
Description
technical field [0001] The invention relates to computer simulation technology of combustion process, in particular to a method for simplifying the framework of detailed combustion chemical reaction mechanism. Background technique [0002] Combustion provides more than 80% of the world's current energy supply and plays an irreplaceable role in core areas such as transportation, industry, and national defense. With the rapid growth of energy demand, traditional fossil energy is not only facing the pressure of exhaustion, but also brings serious environmental and ecological problems. How to realize efficient and clean combustion of fuel has become a major problem faced by countries all over the world, including my country. Fuel combustion is a complex system in which multiple physical and chemical processes such as flow, heat transfer, mass transfer and chemical reactions are coupled with each other. Among them, chemical kinetics is the core link of combustion and plays an i...
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IPC IPC(8): G06F9/455
Inventor 王全德刘滋武
Owner CHINA UNIV OF MINING & TECH