Method and device for simplifying gaseous fuel detonation chemical reaction kinetic model

Abstract

The invention provides a method and a device for simplifying a gaseous fuel detonation chemical reaction kinetic model. The method comprises the following steps: screening an optimal basic combustion mechanism model as an initial model based on experimental data; selecting gaseous fuel detonation non-sensitive components from the initial model by analyzing the correlation degree among the components, removing the non-sensitive components and element reaction, and constructing a skeleton model; respectively selecting a gaseous fuel detonation non-sensitive component and a gaseous fuel detonation non-sensitive element reaction according to the influence of each component and each element reaction in the skeleton model on the ignition delay time and the induction zone length; and removing the gaseous fuel detonation non-sensitive component and the gaseous fuel detonation non-sensitive element reaction in the skeleton model, and constructing a gaseous fuel detonation simplified chemical reaction kinetic model with a small number of component and element reactions. The simplified model obtained by the embodiment of the invention has a good prediction effect on various detonation combustion performances under most test conditions.

Description

Technical Field

[0001] The present invention belongs to the field of detonation combustion simulation, and particularly relates to a method for simplifying a chemical reaction kinetic model of gaseous fuel detonation and a verification device therefor. Background Technique

[0002] In the field of research on detonation combustion of gaseous fuels, with the rapid development of computational fluid dynamics technology, carrying out detonation numerical simulation is of crucial significance for revealing the internal mechanism of detonation. In detonation simulation, the accuracy of the model directly determines the reliability of the simulation results, so the selection of the chemical reaction kinetic model is particularly critical.

[0003] Although traditional detailed chemical kinetic models are accurate, their computational cost is extremely high and they lead to great stiffness, severely limiting their feasibility in practical engineering applications. To reduce the computational cost, past research usually adopted single-step or multi-step simplified models. However, these simplified models have significant defects in describing the complex process of detonation. Therefore, developing a simplified chemical kinetic model that can not only significantly reduce the computational cost but also accurately describe the detonation process of gaseous fuels is an urgent problem to be solved in this field. Summary of the Invention

[0004] An embodiment of the present invention provides a method and device for constructing a chemical reaction kinetic model for gaseous fuel detonation simulation. By selecting the optimal detailed chemical reaction kinetic model of gaseous fuel detonation and performing simplification of multi-stage insensitive components and elementary reactions, a simplified model applicable to gaseous fuel detonation simulation under wide operating conditions is obtained.

[0005] To achieve the above object, a first aspect of the embodiments of the present application provides a method for simplifying a chemical reaction kinetic model of gaseous fuel detonation, the method comprising:

[0006] According to the effective fuel components, collect and collate the basic combustion mechanism models of typical gaseous hydrocarbon fuels, and evaluate the accuracy of their calculation of basic combustion parameters in a high-temperature and high-pressure environment by using the ignition delay time values simulated by experimental data and the basic combustion mechanism models, and select the basic combustion mechanism model with the best accuracy as the optimal detailed chemical reaction kinetic model of gaseous fuel detonation;

[0007] According to the degree of association between the components in the optimal detailed chemical reaction kinetic model of gaseous fuel detonation, select the insensitive components of gaseous fuel detonation, and remove the selected insensitive components of gaseous fuel detonation and their related elementary reactions to obtain the skeletal chemical reaction kinetic model of gaseous fuel detonation;

[0008] According to the influence of the components in the skeletal chemical reaction kinetic model of gaseous fuel detonation on the ignition delay time and the induction zone length, select the insensitive components of gaseous fuel detonation;

[0009] Select the gaseous fuel detonation-insensitive elementary reactions according to the influence of each elementary reaction in the gaseous fuel detonation skeletal chemical reaction kinetic model on the ignition delay time and the induction zone length.

[0010] Remove the gaseous fuel detonation-insensitive components and gaseous fuel detonation-insensitive elementary reactions in the gaseous fuel skeletal chemical reaction kinetic model according to the gaseous fuel detonation skeletal chemical reaction kinetic model, the gaseous fuel detonation-insensitive components, and the gaseous fuel detonation-insensitive elementary reactions.

[0011] In a possible implementation manner of the first aspect, the method for removing the components with a relatively small degree of correlation and their related elementary reactions according to the degree of correlation between the components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation to obtain the skeletal chemical reaction kinetic model specifically includes:

[0012] According to the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, select the reactants, oxygen, and combustion products in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation as important components, and calculate the relationship coefficients between other components and the important components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation.

[0013] Select the elementary reactions with a relationship coefficient less than a preset threshold as the selected gaseous fuel detonation-insensitive components according to the relationship coefficients between other components and the important components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation.

[0014] In a possible implementation manner of the first aspect, select the gaseous fuel detonation-insensitive components according to the influence of each component in the gaseous fuel detonation skeletal chemical reaction kinetic model on the ignition delay time and the induction zone length, specifically including:

[0015] Obtain the maximum sensitivity coefficients of each component in the gaseous fuel detonation skeletal chemical reaction kinetic model according to the influence of each component in the gaseous fuel detonation skeletal chemical reaction kinetic model on the ignition delay time and the induction zone length.

[0016] Select the components with a maximum sensitivity coefficient less than a preset threshold as the gaseous fuel detonation-insensitive components according to the maximum sensitivity coefficients of each component in the gaseous fuel detonation skeletal chemical reaction kinetic model.

[0017] In a possible implementation manner of the first aspect, select the gaseous fuel detonation-insensitive elementary reactions according to the influence of each elementary reaction in the gaseous fuel detonation skeletal chemical reaction kinetic model on the ignition delay time and the induction zone length, specifically including:

[0018] According to the influence of each elementary reaction in the gaseous fuel detonation skeletal chemical reaction kinetic model on the ignition delay time and the induction zone length, the maximum sensitivity coefficient of each elementary reaction in the gaseous fuel detonation skeletal chemical reaction kinetic model is obtained;

[0019] According to the maximum sensitivity coefficient of each elementary reaction in the gaseous fuel detonation skeletal chemical reaction kinetic model, the elementary reactions with a maximum sensitivity coefficient less than a preset threshold are selected as the gaseous fuel detonation insensitive elementary reactions.

[0020] The second aspect of the embodiments of the present application provides a device for constructing a simplified chemical reaction kinetic model of gaseous fuel detonation, including:

[0021] An evaluation module, configured to determine the detailed chemical reaction mechanism of the optimal gaseous fuel detonation detailed chemical reaction kinetic model in the existing detailed chemical reaction mechanisms of typical gaseous hydrocarbon fuel combustion according to experimental data;

[0022] A skeletal model development module, configured to select gaseous fuel detonation insensitive components according to the degree of association between the components in the optimal gaseous fuel detonation detailed chemical reaction kinetic model, remove the selected gaseous fuel detonation insensitive components and their related elementary reactions, and obtain a gaseous fuel detonation skeletal chemical reaction kinetic model;

[0023] A gaseous fuel insensitive component module, configured to select gaseous fuel detonation insensitive components according to the influence of each component in the gaseous fuel detonation skeletal chemical reaction kinetic model on the ignition delay time and the induction zone length;

[0024] A gaseous fuel insensitive elementary reaction module, configured to select gaseous fuel detonation insensitive elementary reactions according to the influence of each elementary reaction in the gaseous fuel detonation skeletal chemical reaction kinetic model on the ignition delay time and the induction zone length;

[0025] A simplification module, configured to remove the gaseous fuel detonation insensitive components and gaseous fuel detonation insensitive elementary reactions in the gaseous fuel skeletal chemical reaction kinetic model according to the gaseous fuel detonation skeletal chemical reaction kinetic model, gaseous fuel detonation insensitive components, and gaseous fuel detonation insensitive elementary reactions.

[0026] In a possible implementation manner of the second aspect, the removing the components with a relatively small degree of association and their related elementary reactions according to the degree of association between the components in the optimal gaseous fuel detonation detailed chemical reaction kinetic model to obtain a skeletal chemical reaction kinetic model specifically includes:

[0027] According to the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, select reactants, oxygen, and combustion products as important components, and calculate the relationship coefficients between other components and the important components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation;

[0028] According to the relationship coefficients between other components and the important components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, select the elementary reactions with relationship coefficients less than the preset threshold as the insensitive components of the gaseous fuel detonation.

[0029] In a possible implementation manner of the second aspect, according to the influence of each component in the skeletal chemical reaction kinetic model of the gaseous fuel detonation on the ignition delay time and the induction zone length, select the insensitive components of the gaseous fuel detonation, specifically including:

[0030] According to the influence of each component in the skeletal chemical reaction kinetic model of the gaseous fuel detonation on the ignition delay time and the induction zone length, obtain the maximum sensitivity coefficients of each component in the skeletal chemical reaction kinetic model of the gaseous fuel detonation;

[0031] According to the maximum sensitivity coefficients of each component in the skeletal chemical reaction kinetic model of the gaseous fuel detonation, select the components with maximum sensitivity coefficients less than the preset threshold as the insensitive components of the gaseous fuel detonation.

[0032] In a possible implementation manner of the second aspect, according to the influence of each elementary reaction in the skeletal chemical reaction kinetic model of the gaseous fuel detonation on the ignition delay time and the induction zone length, select the insensitive elementary reactions of the gaseous fuel detonation, specifically including:

[0033] According to the influence of each elementary reaction in the skeletal chemical reaction kinetic model of the gaseous fuel detonation on the ignition delay time and the induction zone length, obtain the maximum sensitivity coefficients of each elementary reaction in the skeletal chemical reaction kinetic model of the gaseous fuel detonation;

[0034] According to the maximum sensitivity coefficients of each elementary reaction in the skeletal chemical reaction kinetic model of the gaseous fuel detonation, select the elementary reactions with maximum sensitivity coefficients less than the preset threshold as the insensitive elementary reactions of the gaseous fuel detonation.

[0035] Compared with the prior art, the method and device for simplifying the gaseous fuel detonation chemical reaction kinetic model provided by the embodiments of the present invention determine the optimal detailed chemical reaction kinetic model of gaseous fuel detonation in the existing detailed chemical reaction mechanism of typical gaseous hydrocarbon fuel combustion according to experimental data, and quickly eliminate the gaseous fuel detonation insensitive components based on the correlation degree between the components in the model, so as to construct a gaseous fuel detonation skeletal chemical reaction kinetic model. At the same time, under the conditions of preset high temperature, high pressure and different equivalence ratios, the components and elementary reactions with low sensitivity to ignition delay time and induction zone length in the gaseous fuel detonation skeletal chemical reaction kinetic model are further eliminated. After sensitivity screening, the simplified chemical reaction mechanism has the same simulation ability as the initially evaluated optimal detailed chemical reaction mechanism. The obtained simplified mechanism greatly reduces the number of components and elementary reactions on the premise of ensuring accuracy, so as to be more efficiently used for gaseous fuel detonation simulation. BRIEF DESCRIPTION OF THE DRAWINGS

[0036] Figure 1 FIG. is a schematic flow chart of a method for simplifying a gaseous fuel detonation chemical reaction kinetic model provided by an embodiment of the present invention;

[0037] Figure 2 FIG. is a prediction diagram of the ignition delay time of a simplified chemical reaction kinetic model using ethylene detonation in an embodiment of the present invention;

[0038] Figure 3 FIG. is a prediction diagram of the one-dimensional steady-state detonation structure of a simplified chemical reaction kinetic model using ethylene detonation in an embodiment of the present invention;

[0039] Figure 4 FIG. is a prediction diagram of the one-dimensional unsteady planar detonation velocity of a simplified chemical reaction kinetic model using ethylene detonation in an embodiment of the present invention;

[0040] Figure 5 FIG. is a prediction diagram of the two-dimensional unsteady detonation cell of a simplified chemical reaction kinetic model using ethylene detonation in an embodiment of the present invention; DETAILED DESCRIPTION OF THE EMBODIMENTS

[0041] The present invention will be clearly and completely described below with reference to the accompanying drawings and embodiments of the present invention. It should be understood that the specific examples described herein are only used to explain the present invention, and are not used to limit the present invention.

[0042] Please refer to Figure 1 , the embodiments of the present invention provide a method and device for constructing a gaseous fuel detonation simulation chemical reaction kinetic model, and the method includes:

[0043] S10. Based on the effective fuel components, collect and organize the basic combustion mechanism models of typical gaseous hydrocarbon fuels, and use the ignition delay time values simulated by experimental data and the basic combustion mechanism models to evaluate their accuracy in calculating the basic combustion parameters under high-temperature and high-pressure environments. Select the basic combustion mechanism model with the best accuracy as the detailed chemical reaction kinetic model applicable to gaseous fuel detonation.

[0044] S11. According to the degree of association between components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, select the gaseous fuel detonation-insensitive components, and remove the selected gaseous fuel detonation-insensitive components and their related elementary reactions to obtain the gaseous fuel detonation skeletal chemical reaction kinetic model.

[0045] S12. According to the influence of each component in the gaseous fuel detonation skeletal chemical reaction kinetic model on the ignition delay time and induction zone length, select the gaseous fuel detonation-insensitive components.

[0046] S13. According to the influence of each elementary reaction in the gaseous fuel detonation skeletal chemical reaction kinetic model on the ignition delay time and induction zone length, select the gaseous fuel detonation-insensitive elementary reactions.

[0047] S14. According to the gaseous fuel detonation skeletal chemical reaction kinetic model, gaseous fuel detonation-insensitive components, and gaseous fuel detonation-insensitive elementary reactions, remove the gaseous fuel detonation-insensitive components and gaseous fuel detonation-insensitive elementary reactions in the gaseous fuel skeletal chemical reaction kinetic model.

[0048] In the embodiment of the present invention, by comparing the simulated values and experimental data values of the basic combustion mechanism model of typical gaseous hydrocarbon fuels under high-temperature and high-pressure conditions, and through the accuracy evaluation, the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation is found. In addition, through the analysis of the degree of association between components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, and the sensitivity analysis for the ignition delay time and induction zone length. Finally, on the premise of ensuring that the model has a good prediction effect on various detonation combustion performances under most test conditions, a gaseous fuel detonation simplified chemical reaction kinetic model with fewer components and elementary reactions is constructed.

[0049] Exemplarily, S11 specifically includes:

[0050] According to the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, select the reactants, oxygen, and combustion products in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation as important components, and calculate the relationship coefficients between other components and important components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation;

[0051] According to the relationship coefficients between other components and important components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, select the elementary reactions with relationship coefficients less than the preset threshold as the insensitive components of the gaseous fuel detonation.

[0052] Exemplarily, S12 specifically includes:

[0053] According to the influence of each component on the ignition delay time and the induction zone length in the skeletal chemical reaction kinetic model of the gaseous fuel detonation, obtain the maximum sensitivity coefficient of each component in the skeletal chemical reaction kinetic model of the gaseous fuel detonation;

[0054] According to the maximum sensitivity coefficients of each component in the skeletal chemical reaction kinetic model of the gaseous fuel detonation, select the components with maximum sensitivity coefficients less than the preset threshold as the insensitive components of the gaseous fuel detonation.

[0055] Exemplarily, S13 specifically includes:

[0056] According to the influence of each elementary reaction on the ignition delay time and the induction zone length in the skeletal chemical reaction kinetic model of the gaseous fuel detonation, obtain the maximum sensitivity coefficient of each elementary reaction in the skeletal chemical reaction kinetic model of the gaseous fuel detonation;

[0057] According to the maximum sensitivity coefficients of each elementary reaction in the skeletal chemical reaction kinetic model of the gaseous fuel detonation, select the elementary reactions with maximum sensitivity coefficients less than the preset threshold as the insensitive elementary reactions of the gaseous fuel detonation.

[0058] In practical applications, it is more common to import different chemical reaction kinetic models and corresponding thermodynamic parameters and transport parameter files into ANSYS Chemkin Pro software, change the initial temperature, pressure, and equivalence ratio, and simulate the ignition delay time value based on the constant-volume zero-dimensional homogeneous stirrer model. The following takes the gaseous fuel ethylene as an example for illustration

[0059] (1) Based on the effective fuel component ethylene, collect and organize GRI-Mech 3.0, San Diego, Wang-Laskin, and USC-Mech 2.0 as the basic combustion mechanism models. As Figure 2 shown, according to the comparison results of the simulated ignition delay time and experimental results of the four basic combustion mechanism models in a certain temperature range and high pressure, finally select the USC 2.0 mechanism containing 111 elemental components and 784 elementary reactions as the detailed chemical reaction kinetic model applicable to ethylene detonation.

[0060] (2) Select reactants ethylene and oxygen, as well as combustion products water and carbon dioxide as preselected components, and set the equivalence ratio range to 0.5 to 1.5. In the pressure range of 20 to 60 atm, the initial temperature of the homogeneous ignition process is set to 1500 to 2500 K. By calculating the degree of association between the components of the USC 2.0 mechanism, the threshold is fixed at 0.25, and 91 ethylene detonation-insensitive components are identified. In addition, two components, N2 and Ar, which are commonly used for diluting gas mixtures, are retained. Finally, an ethylene detonation skeletal chemical reaction kinetic model containing 33 components and 210 elementary reactions is constructed.

[0061] (3) For the ignition delay time and induction zone length, the maximum sensitivity coefficients of each component in the ethylene detonation skeletal chemical reaction kinetic model at different equivalence ratios and pressures are calculated. By setting the threshold to 0.1, 7 ethylene detonation-insensitive components and their 74 elementary reactions are identified.

[0062] (4) For the ignition delay time and induction zone length, the maximum sensitivity coefficients of each elementary reaction in the ethylene detonation skeletal chemical reaction kinetic model at different equivalence ratios and pressures are calculated. By setting the threshold to 0.1, 81 ethylene detonation-insensitive elementary reactions are identified.

[0063] (5) Based on the ethylene detonation skeletal chemical reaction kinetic model containing 33 components and 210 elementary reactions, 7 ethylene detonation-insensitive components and their 74 elementary reactions, and 81 ethylene detonation-insensitive elementary reactions, the ethylene detonation-insensitive components and ethylene detonation-insensitive elementary reactions in the ethylene skeletal chemical reaction kinetic model are removed. Finally, an ethylene detonation simplified chemical reaction kinetic model containing 26 components and 55 elementary reactions is obtained.

[0064] After the above steps, the obtained ethylene detonation simplified chemical reaction kinetic model contains 26 components and 55 elementary reactions. Compared with the optimal detailed ethylene detonation chemical reaction kinetic model (containing 111 components and 784 elementary reactions), while maintaining a prediction ability comparable to that of the detailed mechanism, the number of components in the simplified model is only one-fourth of that of the detailed mechanism, significantly improving the computational efficiency of detonation simulation. The elementary reactions of the ethylene detonation simplified chemical reaction kinetic model are as follows:

[0065] Table 1 List of elementary reactions in the chemical reaction kinetic model

[0066]

[0067]

[0068] Where A k(mol·cm-1·s-1·K-1) is the pre-exponential factor of the reaction rate, and β k is the temperature exponent, and E k (cal / mol) is the activation energy of the reaction.

[0069] Next, the detonation simulation ability is verified for detonation conditions in different dimensions using the simplified chemical reaction kinetic model of ethylene detonation provided in the embodiments of the present invention. At the same time, a comparative analysis is performed on three typical simplified models developed by Singh, Li, and Varatharajan B, Williamsfe respectively, and the prediction results are as follows:

[0070] (1) Zero-dimensional isochoric explosion

[0071] Based on the calculated values of the detailed chemical reaction kinetic model of the optimal ethylene detonation, for an ethylene / air mixture with a stoichiometric ratio and an initial pressure of 40 atm, the variation of the predicted ignition delay time with the initial temperature is plotted respectively in Figure 2 . Among them, the dotted curve 20 is the calculated value of the detailed chemical reaction kinetic model of the optimal ethylene detonation, and the curve 21 is the calculated value obtained from the simplified chemical reaction kinetic model of ethylene detonation provided in the embodiment.

[0072] (2) One-dimensional steady detonation

[0073] Figure 3 shows the typical structures obtained by different models when simulating one-dimensional detonation. Among them, the curve 30 is the calculated values of temperature and pressure of the detailed chemical reaction kinetic model of the optimal ethylene detonation, and the curve 31 is the calculated values of temperature and pressure obtained from the simplified chemical reaction kinetic model of ethylene detonation provided in the embodiment.

[0074] (3) One-dimensional unsteady planar detonation

[0075] Figure 4 is the variation of the detonation CJ velocity of a stoichiometric ratio ethylene / oxygen mixture with the initial pressure at an initial temperature of 300 K. Among them, the curve 40 is the theoretical detonation velocity, and the curve 41 is the calculated value of the detonation velocity obtained from the simplified chemical reaction kinetic model of ethylene detonation provided in the embodiment.

[0076] (4) Two-dimensional unsteady detonation cell

[0077] Figure 5 is the comparison of the cell size and detonation velocity simulated using different simplified models with the experimental results. Among them, the straight line 50 is the cell size measured experimentally, the straight line 51 is the calculated value of the cell size obtained from the simplified chemical reaction kinetic model of ethylene detonation provided in the embodiment; the straight line 52 is the calculated value of the detonation velocity obtained from the simplified chemical reaction kinetic model of ethylene detonation provided in the embodiment, and the straight line 53 is the theoretical detonation velocity.

[0078] By evaluating the prediction performance of these models for various characteristic parameters of detonation, such as: (1) zero-dimensional uniform ignition delay time and (2) one-dimensional steady-state structure predicted by the simplified model; (3) comparison of the detonation velocity calculated by the simplified model with the theoretical detonation velocity value; (4) comparison of the cell size obtained from the numerical simulation using the simplified model with the experimental data. The results show that the detonation velocity simulated by the simplified model provided in the embodiment is closest to the theoretical detonation velocity, and the relative error is less than 0.4%. This indicates that the simplified chemical reaction kinetic model of ethylene detonation provided in the embodiment has good prediction effects on various detonation combustion performances under most test conditions.

[0079] The second aspect of the embodiment of the present application provides a device for constructing a simplified chemical reaction kinetic model of gaseous fuel detonation, including: an evaluation module, a skeletal model development module, a gaseous fuel insensitive component module, a gaseous fuel insensitive elementary reaction module, and a simplification module.

[0080] The evaluation module is used to determine the detailed chemical reaction mechanism of the optimal detailed chemical reaction kinetic model of gaseous fuel detonation in the existing detailed chemical reaction mechanisms of typical gaseous hydrocarbon fuel combustion according to the experimental data.

[0081] The skeletal model development module is used to select the gaseous fuel detonation insensitive components according to the degree of association between the components in the optimal detailed chemical reaction kinetic model of gaseous fuel detonation, remove the selected gaseous fuel detonation insensitive components and their related elementary reactions, and obtain the gaseous fuel detonation skeletal chemical reaction kinetic model.

[0082] The gaseous fuel insensitive component module is used to select the gaseous fuel detonation insensitive components according to the influence of each component in the gaseous fuel detonation skeletal chemical reaction kinetic model on the ignition delay time and the induction zone length.

[0083] The gaseous fuel insensitive elementary reaction module is used to select the gaseous fuel detonation insensitive elementary reactions according to the influence of each elementary reaction in the gaseous fuel detonation skeletal chemical reaction kinetic model on the ignition delay time and the induction zone length.

[0084] The simplification module is used to remove the gaseous fuel detonation insensitive components and the gaseous fuel detonation insensitive elementary reactions in the gaseous fuel skeletal chemical reaction kinetic model according to the gaseous fuel detonation skeletal chemical reaction kinetic model, the gaseous fuel detonation insensitive components, and the gaseous fuel detonation insensitive elementary reactions.

[0085] Exemplarily, according to the degree of association between components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, the components with relatively small degree of association and their related elementary reactions are removed to obtain a skeletal chemical reaction kinetic model, which specifically includes:

[0086] According to the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, reactants, oxygen, and combustion products are selected as important components, and the relationship coefficients between other components and the important components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation are calculated;

[0087] According to the relationship coefficients between other components and the important components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, the elementary reactions with relationship coefficients less than a preset threshold are selected as insensitive components of gaseous fuel detonation.

[0088] Exemplarily, according to the influence of each component in the skeletal chemical reaction kinetic model of gaseous fuel detonation on the ignition delay time and induction zone length, insensitive components of gaseous fuel detonation are selected, which specifically includes:

[0089] According to the influence of each component in the skeletal chemical reaction kinetic model of gaseous fuel detonation on the ignition delay time and induction zone length, the maximum sensitivity coefficients of each component in the skeletal chemical reaction kinetic model of gaseous fuel detonation are obtained;

[0090] According to the maximum sensitivity coefficients of each component in the skeletal chemical reaction kinetic model of gaseous fuel detonation, the components with maximum sensitivity coefficients less than a preset threshold are selected as insensitive components of gaseous fuel detonation;

[0091] Exemplarily, according to the influence of each elementary reaction in the skeletal chemical reaction kinetic model of gaseous fuel detonation on the ignition delay time and induction zone length, insensitive elementary reactions of gaseous fuel detonation are selected, which specifically includes:

[0092] According to the influence of each elementary reaction in the skeletal chemical reaction kinetic model of gaseous fuel detonation on the ignition delay time and induction zone length, the maximum sensitivity coefficients of each elementary reaction in the skeletal chemical reaction kinetic model of gaseous fuel detonation are obtained;

[0093] According to the maximum sensitivity coefficients of each elementary reaction in the skeletal chemical reaction kinetic model of gaseous fuel detonation, the elementary reactions with maximum sensitivity coefficients less than a preset threshold are selected as insensitive elementary reactions of gaseous fuel detonation.

[0094] Compared with the prior art, the method and device for simplifying the gaseous fuel detonation chemical reaction kinetic model provided by the embodiments of the present invention determine the optimal detailed chemical reaction kinetic model of gaseous fuel detonation in the existing detailed chemical reaction mechanism of typical gaseous hydrocarbon fuel combustion according to experimental data, and quickly eliminate the gaseous fuel detonation insensitive components based on the correlation degree between the components in the model to construct a gaseous fuel detonation skeletal chemical reaction kinetic model; at the same time, under the conditions of preset high temperature, high pressure and different equivalence ratios, further eliminate the components and elementary reactions with low sensitivity to the ignition delay time and induction zone length in the gaseous fuel detonation skeletal chemical reaction kinetic model. After sensitivity screening, the simulation capabilities of the simplified chemical reaction mechanism and the initially evaluated optimal detailed chemical reaction mechanism are equivalent. On the premise of ensuring accuracy, the obtained simplified mechanism has a significant reduction in the number of components and elementary reactions, so as to be more efficiently used for gaseous fuel detonation simulation.

[0095] The above is the preferred embodiment of the present invention. It should be understood that the specific examples described herein are only used to explain the present invention and are not used to limit the present invention.

Claims

1. A simplified method for a gaseous fuel detonation chemical reaction kinetic model, characterized in that: include: According to the effective fuel composition, the basic combustion mechanism models of typical gaseous hydrocarbon fuels are collected and sorted, and the accuracy of the calculation of basic combustion parameters under high temperature and high pressure environment is evaluated by using experimental data and the ignition delay time value simulated by the basic combustion mechanism model. The basic combustion mechanism model with the best accuracy is selected as the detailed chemical reaction kinetic model of optimal gaseous fuel detonation. According to the correlation degree between the components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, the gaseous fuel detonation insensitive components are selected, and the gaseous fuel detonation skeleton chemical reaction kinetic model is obtained by removing the selected gaseous fuel detonation insensitive components and their related elementary reactions; Selecting gaseous fuel detonation insensitive components according to the influence of each component on the ignition delay time and the length of the induction zone in the gaseous fuel detonation skeleton chemical reaction kinetic model; According to the influence of each elementary reaction in the gaseous fuel detonation skeleton chemical reaction kinetic model on the ignition delay time and the length of the induction zone, the gaseous fuel detonation insensitive elementary reaction is selected; According to the gaseous fuel detonation skeleton chemical reaction kinetic model, the gaseous fuel detonation insensitive components, and the gaseous fuel detonation insensitive elementary reactions, the gaseous fuel detonation insensitive components and the gaseous fuel detonation insensitive elementary reactions in the gaseous fuel skeleton chemical reaction kinetic model are removed.

2. The simplified method for the gaseous fuel detonation chemical reaction kinetic model according to claim 1, characterized in that: According to the correlation degree between the components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, the components with less correlation degree and their related elementary reactions are removed to obtain the skeleton chemical reaction kinetic model, specifically including: According to the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, reactants, oxygen and combustion products in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation are selected as important components, and relationship coefficients between other components and important components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation are calculated; According to the relationship coefficients between other components and important components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, elementary reactions with relationship coefficients less than a preset threshold are selected as selected gaseous fuel detonation insensitive components.

3. The simplified method for the gaseous fuel detonation chemical reaction kinetic model according to claim 1, characterized in that: According to the influence of each component in the gaseous fuel detonation skeleton chemical reaction kinetic model on the ignition delay time and the length of the induction zone, the gaseous fuel detonation insensitive components are selected, specifically including: According to the influence of each component in the gaseous fuel detonation skeleton chemical reaction kinetic model on the ignition delay time and the induction zone length, the maximum sensitivity coefficient of each component in the gaseous fuel detonation skeleton chemical reaction kinetic model is obtained; According to the maximum sensitivity coefficient of each component in the gaseous fuel detonation skeleton chemical reaction kinetic model, the component with the maximum sensitivity coefficient less than a preset threshold is selected as the gaseous fuel detonation insensitive component.

4. The simplified method for the gaseous fuel detonation chemical reaction kinetic model according to claim 1, characterized in that: According to the influence of each elementary reaction in the gaseous fuel detonation skeleton chemical reaction kinetic model on the ignition delay time and the length of the induction zone, the gaseous fuel detonation insensitive elementary reaction is selected, which specifically includes: According to the influence of each elementary reaction in the gaseous fuel detonation skeleton chemical reaction kinetic model on the ignition delay time and the induction zone length, the maximum sensitivity coefficient of each elementary reaction in the gaseous fuel detonation skeleton chemical reaction kinetic model is obtained; According to the maximum sensitivity coefficient of each elementary reaction in the gaseous fuel detonation skeleton chemical reaction kinetic model, the elementary reaction with the maximum sensitivity coefficient less than a preset threshold is selected as the gaseous fuel detonation insensitive elementary reaction.

5. A device for constructing a simplified model of gaseous fuel detonation chemical reaction kinetics, characterized in that: include: An evaluation module for determining a detailed chemical reaction mechanism of a detailed chemical reaction kinetic model of optimal gaseous fuel detonation in the detailed chemical reaction mechanism of existing typical gaseous hydrocarbon fuel combustion according to experimental data; A skeleton model development module is used to select gaseous fuel detonation insensitive components according to the degree of correlation between the components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, remove the selected gaseous fuel detonation insensitive components and their related elementary reactions, and obtain a gaseous fuel detonation skeleton chemical reaction kinetic model; A gaseous fuel non-sensitive component module, used to select gaseous fuel detonation non-sensitive components according to the influence of each component on the ignition delay time and the induction zone length in the gaseous fuel detonation skeleton chemical reaction kinetic model; A gaseous fuel insensitive primitive module, for selecting gaseous fuel detonation insensitive primitive reactions according to the influence of each primitive reaction on the ignition delay time and the length of the induction zone in the gaseous fuel detonation skeleton chemical reaction kinetic model; A simplification module is used to remove the gaseous fuel detonation insensitive components and gaseous fuel detonation insensitive elementary reactions in the gaseous fuel skeleton chemical reaction kinetic model according to the gaseous fuel detonation skeleton chemical reaction kinetic model, the gaseous fuel detonation insensitive components, and the gaseous fuel detonation insensitive elementary reactions.

6. The device for constructing a simplified model of gaseous fuel detonation chemical reaction kinetics according to claim 5, characterized in that: According to the correlation degree between the components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, the components with less correlation degree and their related elementary reactions are removed to obtain the skeleton chemical reaction kinetic model, which specifically includes: According to the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, reactants, oxygen and combustion products are selected as important components, and the relationship coefficients between other components and important components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation are calculated; According to the relationship coefficients between other components and important components in the detailed chemical reaction kinetic model of the optimal gaseous fuel detonation, the elementary reactions with relationship coefficients less than a preset threshold are selected as gaseous fuel detonation insensitive components.

7. The device for constructing a simplified model of gaseous fuel detonation chemical reaction kinetics according to claim 5, characterized in that: According to the influence of each component in the gaseous fuel detonation skeleton chemical reaction kinetic model on the ignition delay time and the length of the induction zone, the gaseous fuel detonation insensitive components are selected, specifically including: According to the influence of each component in the gaseous fuel detonation skeleton chemical reaction kinetic model on the ignition delay time and the induction zone length, the maximum sensitivity coefficient of each component in the gaseous fuel detonation skeleton chemical reaction kinetic model is obtained; According to the maximum sensitivity coefficient of each component in the gaseous fuel detonation skeleton chemical reaction kinetic model, the component with the maximum sensitivity coefficient less than a preset threshold is selected as the gaseous fuel detonation insensitive component.

8. The device for constructing a simplified model of gaseous fuel detonation chemical reaction kinetics according to claim 5, characterized in that: According to the influence of each elementary reaction in the gaseous fuel detonation skeleton chemical reaction kinetic model on the ignition delay time and the length of the induction zone, the gaseous fuel detonation insensitive elementary reaction is selected, which specifically includes: According to the influence of each elementary reaction in the gaseous fuel detonation skeleton chemical reaction kinetic model on the ignition delay time and the induction zone length, the maximum sensitivity coefficient of each elementary reaction in the gaseous fuel detonation skeleton chemical reaction kinetic model is obtained; According to the maximum sensitivity coefficient of each elementary reaction in the gaseous fuel detonation skeleton chemical reaction kinetic model, the elementary reaction with the maximum sensitivity coefficient less than a preset threshold is selected as the gaseous fuel detonation insensitive elementary reaction.

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