Simplification method, device, storage medium and system for mixed fuel reaction mechanism

Abstract

The invention provides a method, a device, a storage medium and a system for simplifying a reaction mechanism of mixed fuel. The method comprises the following steps: determining a core mechanism and a global sub-mechanism of each component fuel in the mixed fuel; determining the comprehensive sensitivity coefficient of each element reaction in the combustion reaction process of the mixed fuel according to the core mechanism and the global sub-mechanism of each component fuel; determining a key reaction in the plurality of element reactions according to each comprehensive sensitivity coefficient, and determining a combustion condition corresponding to the key reaction; and determining a first simplified reaction mechanism of the mixed fuel based on a shuffled frog leaping algorithm according to each key reaction and the combustion working condition corresponding to each key reaction. The problems that in the prior art, the reaction mechanism scale of the mixed fuel is large, the calculation complexity is high, and efficient simplification is difficult to achieve while the combustion characteristic precision is guaranteed are solved.

Description

Technical Field

[0001] This application relates to the field of numerical simulation technology of combustion reaction kinetics, and more specifically, to a simplified method, a simplified apparatus, a computer-readable storage medium, and a simplified system for the reaction mechanism of mixed fuels. Background Technology

[0002] The fuel combustion process can be described by a large number of elementary reactions, which together determine the chemical kinetics of the fuel during ignition, flame propagation, and complete combustion. For multi-component fuels such as methanol, diesel, and biodiesel, the detailed combustion mechanism often involves thousands of chemical components and tens of thousands of reaction pathways. Although such detailed mechanisms can accurately reflect the combustion behavior of fuels, their application in three-dimensional computational fluid dynamics (CFD) simulations results in extremely large computational loads, leading to excessively long simulation times, difficulty in convergence, and high computational resource requirements.

[0003] Therefore, there is an urgent need for a simplified reaction mechanism construction method for mixed fuels that can balance computational efficiency and simulation accuracy and characterize the interaction of different fuel components, so as to achieve a realistic reproduction of the mixed fuel combustion process in multidimensional numerical simulation. Summary of the Invention

[0004] The main objective of this application is to provide a simplified method, apparatus, computer-readable storage medium, and system for the simplification of the reaction mechanism of mixed fuels, so as to at least solve the problems in the prior art where the reaction mechanism of mixed fuels is large in scale, has high computational complexity, and is difficult to achieve efficient simplification while ensuring the accuracy of combustion characteristics.

[0005] To achieve the above objectives, according to one aspect of this application, a simplified method for determining the reaction mechanism of a blended fuel is provided, comprising: determining the core mechanism and global sub-mechanism of each component fuel in the blended fuel, wherein the core mechanism characterizes the combustion reaction process of the component fuel with a carbon atom number less than or equal to a preset number, and the global sub-mechanism characterizes the combustion reaction process of the component fuel with a carbon atom number greater than the preset number; determining the comprehensive sensitivity coefficient of each elementary reaction in the combustion reaction process of the blended fuel based on the core mechanism and the global sub-mechanism of each component fuel, wherein the comprehensive sensitivity coefficient characterizes the degree of influence of each elementary reaction on the combustion reaction process of the blended fuel; determining the key reaction among the multiple elementary reactions based on the comprehensive sensitivity coefficient, and determining the combustion condition corresponding to the key reaction; and determining a first simplified reaction mechanism of the blended fuel based on a hybrid leapfrog algorithm based on each key reaction and the combustion condition corresponding to each key reaction.

[0006] Optionally, determining the comprehensive sensitivity coefficient of each elementary reaction in the combustion reaction process of the blended fuel based on the core mechanism and the global sub-mechanism of each component fuel includes: determining a first sensitivity of each elementary reaction included in the core mechanism and the global sub-mechanism of each component fuel to IDT, wherein the first sensitivity characterizes the degree of influence of each elementary reaction on the IDT; determining a second sensitivity of each elementary reaction included in the core mechanism and the global sub-mechanism of each component fuel to JSR results, wherein the second sensitivity characterizes the degree of influence of each elementary reaction on the JSR results; and determining the comprehensive sensitivity coefficient of each elementary reaction of the blended fuel based on the first sensitivity and the second sensitivity.

[0007] Optionally, determining the first sensitivity of each of the elementary reactions included in the core mechanism and global sub-mechanism of each of the component fuels to IDT includes: obtaining each preset rate constant of each of the elementary reactions, and determining a plurality of first products of each of the preset rate constants of each of the elementary reactions with a first preset constant; determining a plurality of second products of each of the preset rate constants of each of the elementary reactions with a second preset constant; determining a plurality of first quotients of each of the first products and each of the second products corresponding to each of the elementary reactions, and determining a first logarithmic value of each of the first quotients; determining a second quotient of the first preset constant and the second preset constant, and determining a second logarithmic value of the second quotient; and determining the first sensitivity as a third quotient of the first logarithmic value and the second logarithmic value.

[0008] Optionally, determining the comprehensive sensitivity coefficient of each of the elementary reactions of the blended fuel based on the first sensitivity and the second sensitivity includes: determining a first absolute value of each of the first sensitivities, and determining a third product of a first preset weighting coefficient and each of the first absolute values; determining a second absolute value of each of the second sensitivities, and determining a fourth product of a second preset weighting coefficient and each of the second absolute values; and determining that the sum of multiple values ​​of each of the third products and the fourth products corresponding to each of the third products is the comprehensive sensitivity coefficient of each of the elementary reactions.

[0009] Optionally, the key reaction among the multiple elementary reactions is determined based on the comprehensive sensitivity coefficients, and the combustion conditions corresponding to the key reactions are determined, including: determining the elementary reactions with comprehensive sensitivity coefficients greater than a preset coefficient as the key reactions; and determining the combustion conditions of the key reactions as the combustion conditions, wherein the combustion conditions include combustion ambient temperature and combustion ambient pressure.

[0010] Optionally, based on each of the key reactions and the combustion conditions corresponding to each key reaction, a first simplified reaction mechanism of the blended fuel is determined using a hybrid leapfrog algorithm, including: determining rate parameters of each of the key reactions of each of the component fuels based on the hybrid leapfrog algorithm, wherein the rate parameters include a pre-exponential factor, a temperature index, and an activation energy; determining a second simplified reaction mechanism of each of the component fuels based on the rate parameters; and determining a first simplified reaction mechanism of the blended fuel based on the second simplified reaction mechanism of each of the component fuels.

[0011] Optionally, determining the first simplified reaction mechanism of the mixed fuel based on the second simplified reaction mechanisms of each of the component fuels includes: merging the second simplified reaction mechanisms of each of the component fuels to obtain a merged mechanism for the mixed fuel; under a preset combustion condition, determining the permissible cross-reaction mechanism and the blocking cross-reaction mechanism of each elementary reaction in the combustion reaction process of the mixed fuel based on the merged mechanism, wherein the permissible cross-reaction mechanism characterizes the combustion reaction process in which intermediate components generated during combustion are allowed to participate in the reaction between the component fuels, and the blocking cross-reaction mechanism characterizes the combustion reaction process in which intermediate components generated during combustion are not allowed to participate in the reaction between the component fuels; determining the cross coefficient corresponding to each elementary reaction based on the permissible cross-reaction mechanism and the blocking cross-reaction mechanism, wherein the cross coefficient characterizes the degree of influence of the cross-reaction between the component fuels on the combustion characteristics of the mixed fuel; and determining the set of elementary reactions whose cross coefficients are greater than a preset cross coefficient as the first simplified reaction mechanism.

[0012] According to another aspect of this application, a simplified apparatus for determining the reaction mechanism of a mixed fuel is provided, comprising: a first determining unit, configured to determine the core mechanism and global sub-mechanism of each component fuel in the mixed fuel, wherein the core mechanism characterizes the combustion reaction process of the component fuel with a carbon atom number less than or equal to a preset number, and the global sub-mechanism characterizes the combustion reaction process of the component fuel with a carbon atom number greater than the preset number; a second determining unit, configured to determine the comprehensive sensitivity coefficient of each elementary reaction in the combustion reaction process of the mixed fuel based on the core mechanism and the global sub-mechanism of each component fuel, wherein the comprehensive sensitivity coefficient characterizes the degree of influence of each elementary reaction on the combustion reaction process of the mixed fuel; a third determining unit, configured to determine the key reaction among the multiple elementary reactions based on the comprehensive sensitivity coefficients, and determine the combustion conditions corresponding to the key reactions; and a fourth determining unit, configured to determine a first simplified reaction mechanism of the mixed fuel based on a hybrid leapfrog algorithm according to the key reactions and the combustion conditions corresponding to the key reactions.

[0013] According to another aspect of this application, a computer-readable storage medium is provided, the computer-readable storage medium including a stored program, wherein, when the program is executed, it controls the device on which the computer-readable storage medium is located to perform any of the methods described.

[0014] According to another aspect of this application, a simplified system for a mixed fuel reaction mechanism is provided, comprising: one or more processors, a memory, and one or more programs, wherein the one or more programs are stored in the memory and configured to be executed by the one or more processors, the one or more programs including methods for performing any one of the methods described.

[0015] By applying the technical solution of this application, the reaction mechanisms of each component fuel in the blend are layered. Reactions with fewer carbon atoms and shorter reaction chains are classified as core mechanisms, responsible for describing the detailed reaction process of small molecules, involving the high-temperature stages of combustion, such as the generation of free radicals and chain reactions. Mechanisms with more carbon atoms and more complex reaction pathways are classified as global sub-mechanisms, mainly describing the gradual oxidation and decomposition of fuel macromolecules into small molecules and a small number of free radicals, laying the foundation for subsequent oxidation. This allows for the removal of reaction channels with weak correlation to the overall combustion law during the modeling stage, reducing the scale of the mechanism. Through comprehensive sensitivity analysis, key reactions are identified. After obtaining the core and global mechanisms of each component fuel, a comprehensive sensitivity coefficient analysis method is used to determine the key reactions that truly determine the combustion characteristics of the blended fuel, while eliminating reactions with minimal impact on combustion behavior. This simplifies the mechanism, making it lightweight while maintaining the authenticity of combustion characteristics. It ensures the physical accuracy of the simulation while significantly improving computational efficiency and model stability, solving the problem that existing technologies for blended fuel reaction mechanisms are large in scale and computationally complex, making it difficult to achieve efficient simplification while maintaining the accuracy of combustion characteristics. Attached Figure Description

[0016] The accompanying drawings, which form part of this application, are used to provide a further understanding of this application. The illustrative embodiments and descriptions of this application are used to explain this application and do not constitute an undue limitation of this application. In the drawings:

[0017] Figure 1 A simplified flowchart illustrating a method for a mixed fuel reaction mechanism according to an embodiment of this application is shown.

[0018] Figure 2 A simplified flowchart of another method for a mixed fuel reaction mechanism provided according to an embodiment of this application is shown;

[0019] Figure 3 A structural block diagram of a simplified apparatus for a mixed fuel reaction mechanism provided according to an embodiment of this application is shown. Detailed Implementation

[0020] It should be noted that, unless otherwise specified, the embodiments and features described in this application can be combined with each other. This application will now be described in detail with reference to the accompanying drawings and embodiments.

[0021] To enable those skilled in the art to better understand the present application, the technical solutions in the embodiments of the present application will be clearly and completely described below with reference to the accompanying drawings. Obviously, the described embodiments are only some embodiments of the present application, and not all embodiments. Based on the embodiments in the present application, all other embodiments obtained by those of ordinary skill in the art without creative effort should fall within the scope of protection of the present application.

[0022] It should be noted that the terms "first," "second," etc., in the specification, claims, and accompanying drawings of this application are used to distinguish similar objects and are not necessarily used to describe a specific order or sequence. It should be understood that such data can be interchanged where appropriate for the embodiments of this application described herein. Furthermore, the terms "comprising" and "having," and any variations thereof, are intended to cover non-exclusive inclusion; for example, a process, method, system, product, or apparatus that comprises a series of steps or units is not necessarily limited to those steps or units explicitly listed, but may include other steps or units not explicitly listed or inherent to such processes, methods, products, or apparatus.

[0023] As described in the background section, the reaction mechanism of mixed fuels in the prior art is large in scale and has high computational complexity, making it difficult to achieve efficient simplification while ensuring the accuracy of combustion characteristics. In order to solve the above technical problems, the embodiments of this application provide a method for simplifying the reaction mechanism of mixed fuels, a device for simplifying the reaction mechanism of mixed fuels, a computer-readable storage medium, and a system for simplifying the reaction mechanism of mixed fuels.

[0024] The technical solutions of the present invention will be clearly and completely described below with reference to the accompanying drawings in the embodiments of the present invention.

[0025] Figure 1 This is a flowchart of a simplified method for implementing the reaction mechanism of mixed fuels according to embodiments of this application. Figure 1 As shown, the method includes the following steps:

[0026] Step S101: Determine the core mechanism and global sub-mechanism of each component fuel in the mixed fuel. The core mechanism characterizes the combustion reaction process of the component fuel with a carbon atom number less than or equal to a preset number. The global sub-mechanism characterizes the combustion reaction process of the component fuel with a carbon atom number greater than the preset number.

[0027] Specifically, blended fuels consist of multiple single fuels, each involving hundreds or thousands of chemical reactions during combustion. To reduce computational complexity, the reaction mechanisms of each fuel are first broken down.

[0028] Step S102: Determine the comprehensive sensitivity coefficient of each elementary reaction in the combustion reaction process of the mixed fuel based on the core mechanism and global sub-mechanism of each of the above-mentioned component fuels. The comprehensive sensitivity coefficient characterizes the degree of influence of each of the above-mentioned elementary reactions on the combustion reaction process of the mixed fuel.

[0029] Step S103: Determine the key reactions among the above-mentioned elementary reactions based on the comprehensive sensitivity coefficients, and determine the combustion conditions corresponding to the above-mentioned key reactions.

[0030] Specifically, the aforementioned key reactions are elementary reactions that have a significant impact on the overall combustion process during the combustion of mixed fuels.

[0031] Step S104: Based on the above-mentioned key reactions and the above-mentioned combustion conditions corresponding to each of the above-mentioned key reactions, determine the first simplified reaction mechanism of the above-mentioned mixed fuel using the hybrid frog-leap algorithm.

[0032] Through the above embodiments, the reaction mechanisms of each component fuel in the blend are layered. Reactions with fewer carbon atoms and shorter reaction chains are classified as core mechanisms, responsible for describing the detailed reaction process of small molecules, involving the high-temperature stages of combustion, such as the generation of free radicals and chain reactions. Mechanisms with more carbon atoms and more complex reaction pathways are classified as global sub-mechanisms, mainly describing the gradual oxidation and decomposition of fuel macromolecules into smaller molecules and a small number of free radicals. This allows for the removal of reaction channels with weak correlation to the overall combustion law during the modeling stage, reducing the scale of the mechanisms. Through comprehensive sensitivity analysis, key reactions are identified. After obtaining the core and global mechanisms of each component fuel, a comprehensive sensitivity coefficient analysis method is used to determine the key reactions that truly determine the combustion characteristics of the blended fuel, while eliminating reactions with minimal impact on combustion behavior. This simplifies the mechanisms to be both lightweight and maintains the authenticity of combustion characteristics, ensuring both the physical accuracy of the simulation and significantly improving computational efficiency and model stability. This solves the problem in existing technologies where the reaction mechanisms of blended fuels are large in scale and computationally complex, making it difficult to achieve efficient simplification while maintaining the accuracy of combustion characteristics.

[0033] In one alternative approach, determining the comprehensive sensitivity coefficient of each elementary reaction in the combustion reaction process of the mixed fuel based on the core mechanism and global sub-mechanism of each of the aforementioned component fuels includes: determining a first sensitivity of each elementary reaction included in the core mechanism and global sub-mechanism of each of the aforementioned component fuels to IDT (Ignition Delay Time), wherein the first sensitivity characterizes the degree of influence of each elementary reaction on the IDT; determining a second sensitivity of each elementary reaction included in the core mechanism and global sub-mechanism of each of the aforementioned component fuels to the component concentration obtained by JSR (Jet-Stirred Reactor), wherein the second sensitivity characterizes the degree of influence of each elementary reaction on the JSR result; and determining the comprehensive sensitivity coefficient of each elementary reaction of the mixed fuel based on the first sensitivity and the second sensitivity.

[0034] In the above embodiments, the reaction mechanism of the mixed fuel is decomposed into a core mechanism and a global sub-mechanism, and the sensitivity of each elementary reaction to the ignition delay time (IDT) and jet stirred reactor (JSR) results is calculated, thereby quantifying the impact of each elementary reaction on the combustion process. The core mechanism focuses on describing the detailed combustion process of small molecules, playing a key role in ignition and flame propagation; the global sub-mechanism focuses on the oxidative cracking of fuel macromolecules, forming smaller free radicals and unsaturated hydrocarbons, providing a basis for subsequent oxidation reactions. By determining the comprehensive sensitivity coefficient based on the first and second sensitivities, the combined effect of each elementary reaction on the combustion characteristics of the mixed fuel can be comprehensively evaluated, achieving a two-dimensional quantitative analysis of combustion behavior. This allows for the identification of the reactions with the greatest impact on combustion performance and provides a unified quantitative basis for subsequent reaction screening and rate parameter optimization, thus laying the foundation for mechanism simplification while maintaining the accuracy of combustion characteristics.

[0035] In another alternative approach, determining the first sensitivity of each of the aforementioned elementary reactions, including those in the core mechanism and global sub-mechanism of each of the aforementioned component fuels, to IDT includes: obtaining each of the aforementioned elementary reactions' preset rate constants, and determining multiple first products of each of the aforementioned elementary reactions' preset rate constants with a first preset constant; determining multiple second products of each of the aforementioned elementary reactions' preset rate constants with a second preset constant; determining multiple first quotients of each of the aforementioned first products and each of the aforementioned second products corresponding to each of the aforementioned elementary reactions, and determining a first logarithmic value of each of the aforementioned first quotients; determining a second quotient of the aforementioned first preset constants with the aforementioned second preset constants, and determining a second logarithmic value of the aforementioned second quotients; and determining the first sensitivity as a third quotient of the aforementioned first logarithmic value and the aforementioned second logarithmic value.

[0036] In the above embodiments, by amplifying and reducing the reaction rate constants by a certain factor, the trend of ignition delay time variation under different rate conditions is obtained. The first sensitivity is calculated by the logarithmic ratio of the two values, thus reflecting the strength of the reaction's influence on the combustion initiation stage. This allows for a direct observation of which reactions dominate fuel ignition behavior and which have a smaller impact, thereby achieving accurate identification of key reactions in the mechanism. This process effectively reduces interference from irrelevant or low-sensitivity reactions, making subsequent mechanism simplification more targeted and scientific, and improving the accuracy and computational efficiency of combustion simulation.

[0037] Specifically, according to Determine the first sensitivity, where T ij Let τ be the first sensitivity of the i-th elementary reaction to the IDT under the j-th operating condition. 2.0 The ignition delay time is obtained by multiplying the rate constant of the i-th elementary reaction by a first preset constant of 2.0; τ 0.5 The ignition delay time is obtained by multiplying the rate constant of the i-th elementary reaction by a second preset constant of 0.5.

[0038] The second sensitivity is based on Certainly, of which M ij The second sensitivity of the i-th elementary reaction to the JSR under the j-th reaction condition; n 2.0 The concentration of the major product (e.g., carbon monoxide, carbon dioxide, water, etc.) when the rate constant of the i-th elementary reaction is doubled; n 0.5 The concentration of the corresponding product when the rate constant of the i-th elementary reaction is halved.

[0039] It should be noted that when calculating the first and second sensitivities, the rate constants of each elementary reaction are perturbed proportionally to obtain combustion response data under different rate conditions. The amplification and reduction factors of the aforementioned rate constants are preferably set to 2.0 and 0.5, respectively, doubling and halving the rate constant of the elementary reaction. This setting is used to generate sufficiently significant output differences without compromising the overall stability of the reaction mechanism, so as to accurately assess the impact of rate constant changes on ignition delay time (IDT) and product concentration in the jet-stirred reactor (JSR). In practice, the above factors are not limited to 2.0 and 0.5. When the reaction sensitivity of the fuel system is low or high, the rate perturbation range can be appropriately adjusted to 1.5–3.0 times or 0.3–0.7 times as needed to ensure good numerical stability and discriminability of the calculation results.

[0040] In some exemplary embodiments, determining the comprehensive sensitivity coefficient of each of the basic reactions of the blended fuel based on the first sensitivity and the second sensitivity includes: determining a first absolute value of each of the first sensitivities and determining a third product of a first preset weighting coefficient and each of the first absolute values; determining a second absolute value of each of the second sensitivities and determining a fourth product of a second preset weighting coefficient and each of the second absolute values; and determining the sum of a plurality of the third products and the fourth products corresponding to the third products as the comprehensive sensitivity coefficient of each of the basic reactions.

[0041] In the above embodiments, firstly, taking the absolute value of the two types of sensitivity can eliminate the risk of mutual cancellation caused by the difference between promoting and inhibiting the sign, ensuring that all reactions that have a significant impact on the combustion process, regardless of whether they are positive or negative, will be highlighted in the comprehensive score; secondly, introducing two sets of preset weights can flexibly adjust the relative contribution of the two types of information according to the focus of the mixed fuel (e.g., focusing more on the fit of the ignition point or the fit of the product), so that the comprehensive index is aligned with the engineering goal; thirdly, summing the weighted sensitivity for each reaction to form a comprehensive sensitivity coefficient can aggregate discrete information into a single score under multiple operating conditions and multiple indexes, significantly reducing the decision-making dimension, facilitating the unified sorting and threshold screening of all elementary reactions, thereby accurately identifying the reactions that should be prioritized for retention and optimization, and improving the accuracy and computational efficiency of the three-dimensional simulation.

[0042] Specifically, according to Determine the comprehensive sensitivity coefficient, where T ij M represents the IDT sensitivity of the i-th response under operating condition j; ij Let ω1 and ω2 be the JSR sensitivity of the i-th reaction under operating condition j; the weights ω1 and ω2 are determined based on the actual fuel.

[0043] In other exemplary embodiments, determining the key reaction among the multiple elementary reactions based on the aforementioned comprehensive sensitivity coefficients, and determining the combustion conditions corresponding to the key reactions, includes: determining the elementary reactions with comprehensive sensitivity coefficients greater than a preset coefficient as the key reactions; determining the combustion conditions of the key reactions as the combustion conditions, wherein the combustion conditions include combustion ambient temperature and combustion ambient pressure.

[0044] In the above embodiments, by threshold screening of the comprehensive sensitivity coefficients of each elementary reaction, reactions that play a dominant role in combustion characteristics can be automatically identified from the vast reaction mechanism, and their dominant operating conditions under different combustion conditions can be determined. The comprehensive sensitivity coefficient reflects the overall influence of each elementary reaction on ignition delay and product distribution in a jet-stirred reactor. Comparing it with a preset threshold can effectively eliminate secondary reactions with weak influence on combustion behavior, retaining only those major reactions that significantly contribute to ignition, exothermic processes, and product formation as key reactions. Simultaneously, by combining the changing trends of the comprehensive sensitivity coefficients under different temperatures and pressures, the most sensitive combustion conditions corresponding to each key reaction can be determined. This process automates and quantifies mechanism simplification, ensuring that the selected key reactions not only represent the dominant chemical pathways of mixed fuel combustion characteristics but also guarantee that subsequent model optimization focuses on the most influential reaction set. This significantly reduces the scale of the mechanism and simulation complexity while maintaining computational accuracy, improving the computational efficiency and stability of three-dimensional combustion simulation.

[0045] In some exemplary embodiments of this application, the first simplified reaction mechanism of the mixed fuel is determined based on the hybrid leapfrog algorithm according to each of the above-mentioned key reactions and the combustion conditions corresponding to each of the above-mentioned key reactions, including: determining the rate parameters of each of the above-mentioned key reactions of each of the above-mentioned component fuels based on the hybrid leapfrog algorithm, wherein the rate parameters include pre-exponential factor, temperature index and activation energy; determining each of the second simplified reaction mechanisms of each of the above-mentioned component fuels based on the rate parameters; and determining the first simplified reaction mechanism of the mixed fuel based on each of the second simplified reaction mechanisms of each of the above-mentioned component fuels.

[0046] In the above embodiments, firstly, for the screened key reactions, the rate parameters are optimized under their corresponding sensitive operating conditions using a hybrid frog-leap algorithm. This can significantly reduce the overall error of targets such as IDT and JSR without expanding the parameter space, avoid ineffective modulation of non-key reactions and overfitting, and improve convergence speed and robustness. Subsequently, a second simplified reaction mechanism is obtained by solidifying the component fuels separately. This allows the optimal kinetic characteristics of each fuel under its dominant operating condition to be independently precipitated, reducing interference from parameter compensation between different fuels. Finally, based on this, a first simplified reaction mechanism of the mixed fuel is synthesized. On the one hand, it retains the decisive reaction path and optimized rate parameters, making the prediction accuracy of ignition delay, exothermic rate and main product concentration close to the experiment. On the other hand, by significantly reducing the number of reactions and parameters to be estimated, it significantly reduces the computational complexity and solution time of the three-dimensional simulation, improves numerical stability and cross-condition generalization ability, and thus achieves a balance between mechanism scale and simulation accuracy.

[0047] Specifically, in the previous stage, sensitivity analysis identified key reactions affecting combustion characteristics and their corresponding sensitive operating conditions. This step utilizes an improved hybrid frog-leap algorithm to globally optimize the rate parameters of these key reactions. The algorithm uses the reaction rate constant of each fuel component as the search variable, initializing multiple "frog individuals," each representing a combination of rate parameters. Through iterative mechanisms such as population partitioning, local learning, and global exchange, and combined with the difference between predicted and experimental values ​​calculated by chemical reaction kinetics software, the algorithm dynamically adjusts each rate parameter to make the calculated results closest to the experimental data. During the iteration process, the worst-performing individual continuously learns from the locally optimal and globally optimal individuals. By introducing contraction and acceleration factors, convergence is accelerated while avoiding getting trapped in local optima, thus finding a combination of rate constants that balances accuracy and efficiency within the search space. After optimization, a second simplified reaction mechanism is obtained for each single-component fuel, i.e., a simplified model that has completed parameter optimization while maintaining the accuracy of combustion behavior. Subsequently, the second simplified mechanisms of each single fuel are merged to form the first simplified reaction mechanism of the mixed fuel. This mechanism significantly reduces the computational scale, but can still accurately reproduce the dynamic characteristics of mixed fuels in terms of ignition delay, heat release rate and the formation of major products, achieving a balance between mechanism simplification and computational accuracy.

[0048] In some further exemplary embodiments of this application, determining the first simplified reaction mechanism of the mixed fuel based on the second simplified reaction mechanisms of each of the aforementioned component fuels includes: merging the second simplified reaction mechanisms of each of the aforementioned component fuels to obtain a merged mechanism for the mixed fuel; under a preset combustion condition, determining the permissible cross-reaction mechanism and the blocking cross-reaction mechanism of each of the aforementioned elementary reactions in the combustion reaction process of the mixed fuel based on the merged mechanism, wherein the permissible cross-reaction mechanism characterizes the combustion reaction process in which intermediate components generated during combustion are allowed to participate in the reaction between the aforementioned component fuels, and the blocking cross-reaction mechanism characterizes the combustion reaction process in which intermediate components generated during combustion are not allowed to participate in the reaction between the aforementioned component fuels; determining the cross coefficient corresponding to each of the aforementioned elementary reactions based on the permissible cross-reaction mechanism and the blocking cross-reaction mechanism, wherein the cross coefficient characterizes the degree of influence of the cross-reaction between the aforementioned component fuels on the combustion characteristics of the mixed fuel; and determining the set of elementary reactions whose cross coefficients are greater than a preset cross coefficient as the first simplified reaction mechanism.

[0049] In the above embodiments, directly merging the second simplified mechanisms of each individual component fuel after completion may lead to a large number of redundant reactions and unreasonable cross-reactions in the mechanism. For example, an intermediate free radical generated by one fuel may react with another fuel, resulting in a surge in the scale and distortion of the mechanism. Therefore, the second simplified mechanisms are first merged to form a merged mechanism for the mixed fuel, providing a unified set of reactions for subsequent screening. Subsequently, under preset combustion conditions, the elementary reactions in the merged mechanism are classified as follows: Allowed cross-reaction mechanism: characterizes the pathways in which intermediate products (such as OH (hydroxyl radical), CH3 (methyl radical), etc.) are allowed to participate in the reaction across components during the combustion of each component fuel, in order to retain the energy transfer and free radical chain reaction effects present in actual combustion; Blocked cross-reaction mechanism: represents the cross-reaction pathways in which these intermediate species are artificially blocked, retaining only the internal reactions of independent combustion of each fuel, which are used as a comparison benchmark. Based on this, the cross-reaction coefficient of each elementary reaction is determined by comparing the sensitivity calculation results of allowed cross-reaction mechanism and blocked cross-reaction mechanism under the same conditions. The cross-coefficient quantitatively characterizes the cross-fuel coupling strength of the reaction and its impact on overall combustion characteristics. When the cross-coefficient is greater than a preset threshold, it indicates that the reaction significantly contributes to the combustion characteristics of the blended fuel (such as ignition delay, heat release rate, or major product distribution) and should be retained in the final mechanism; reactions below the threshold can be safely eliminated. Finally, the set of all elementary reactions with cross-coefficients exceeding the threshold is retained, constituting the first simplified reaction mechanism of the blended fuel. Through this differential screening and quantitative determination method, the number of redundant reactions is minimized while maintaining the chemical characteristics of key cross-reactions, achieving both deep simplification of the mechanism and physical consistency.

[0050] To enable those skilled in the art to better understand the technical solution of this application, the implementation process of the simplified method for the mixed fuel reaction mechanism of this application will be described in detail below with reference to specific embodiments.

[0051] This embodiment relates to a simplified method for a specific mixed fuel reaction mechanism, such as... Figure 2 As shown, it includes the following steps:

[0052] Step S1: Apply the decoupling method to initially construct a simplified mechanism for a single fuel;

[0053] The preliminary simplified mechanism constructed using the decoupling method consists of two parts. The first part is the C0 to C3 core mechanism, which represents a reaction system where the component fuels have no more than three carbon atoms. This core mechanism comprises the detailed H2 / C0 / C1 chemical mechanism and the C2 to C3 simplified sub-mechanism, which represents a reaction system where the component fuels have two to three carbon atoms. The second part is the C4 to C5 core mechanism. N Global sub-mechanisms, where C4 to CN The global sub-mechanism represents a reaction system where the component fuel has 2 to 3 carbon atoms. The basic pathway for constructing the global sub-mechanism of hydrocarbon fuel (RH) includes: Under low-temperature conditions, the fuel molecule RH undergoes a dehydrogenation reaction to generate hydrocarbon radicals (R). These hydrocarbon radicals react with oxygen to generate alkyl peroxy radicals (RO2), which then undergo intramolecular hydrogen migration to form hydroxyperoxyalkyl radicals (QOOH). These hydroxyperoxyalkyl radicals further react with oxygen molecules to generate diperoxy radicals (O2QOOH), which ultimately decompose to generate hydrogen peroxide ketones and undergo a low-temperature chain branching reaction. Under high-temperature conditions, the cracking reaction is dominant. R and RH are cracked into a series of small molecules and aggregated into a single reaction according to the β-scissor rule (an empirical rule in organic chemistry and combustion reaction kinetics describing the carbon-carbon bond breaking reaction of alkyl radicals under high-temperature conditions). Using the C0 to C3 core sub-mechanisms as the basis for a simplified mechanism of a certain carbon-based fuel, and combining the decoupling method to construct a preliminary simplified mechanism of reaction pathways, including fuel molecule dehydrogenation reaction, low-temperature oxidation reaction, high-temperature oxidation reaction, and high-temperature cracking reaction.

[0054] Step S2: Select sensitive responses and sensitive operating conditions based on comprehensive sensitivity analysis;

[0055] Basic combustion test data of the fuel in a shock tube and jet stirred reactor (JSR) were collected or tested, and the test conditions were simulated using software. Based on the comprehensive sensitivity evaluation method, the IDT and JSR component concentrations were comprehensively analyzed, and the IDT sensitivity coefficient was defined. for: JSR sensitivity coefficient for: In the formula, IDT is the reaction rate constant when it is doubled. IDT is the value of the reaction rate constant when it is reduced by half. JSR when the reaction rate constant is doubled. The JSR is the reaction rate constant reduced by half; i is the elementary reaction number, and j is the reaction condition number. According to... The comprehensive sensitivity coefficient of a certain elementary reaction under a certain reaction condition is obtained by weighting the sensitivity coefficients of IDT and JSR. The sensitivity coefficients of each reaction under each operating condition are summed and averaged. If the result is greater than a threshold, the operating condition is considered a sensitive operating condition. In the formula, the weights are... , The value is determined based on the actual fuel used. A weight of 0.5 is typically used. The top 5 reactions with the highest overall sensitivity coefficients are selected as the reactions to be optimized. Similarly, the sensitivity coefficients for each operating condition of IDT and JSR are calculated, and the sensitive operating conditions of IDT and JSR are selected accordingly.

[0056] Step S3: Optimize the combustion reaction rate constant of the reaction to be optimized in step S2 using a hybrid frog-leap algorithm written in Python.

[0057] First, the frog population is initialized by randomly generating N frogs, with the position of each frog determined by multi-dimensional parameters. The resulting variable matrix has parameters in each dimension that are pre-exponential factors of the response to be optimized. The number of subpopulations is set as p, and the number of frogs in each group is set as q, i.e., N=p. q, the maximum iteration parameter is set to G, and the initial parameter formula is: ,in, Let x be the value of the i-th frog in the j-th dimension. The Rand() function is used to generate a random number x in the range [0,1]. ⱼ : Represents the position value of an individual frog in the j-th parameter dimension. When adjusting the combustion reaction rate constant, according to... Calculation, where To initially simplify the combustion rate constant in the mechanism, This represents the updated combustion rate constant. The rate varies from 0.1 to 10 times. Frogs are assigned to the initial meme set. Chemical reaction kinetics software is used to calculate the fitness of each frog. The calculation method is as follows: In the formula, The objective function value, and These are the predicted and experimental values ​​from chemical reaction kinetics software simulations, respectively. K represents the number of operating conditions in the shock generator and jet stirrer, with two weights. and It can be adjusted according to the specific problem, but it is usually taken as 0.5.

[0058] After calculating the fitness of N frogs, they are sorted in descending order and assigned to P meme groups. Each meme group contains q frogs. The frog with the best fitness value becomes the first frog in the first meme group, the frog with the second best fitness value moves to the second meme group, and so on. The N frogs are cyclically assigned to p meme groups. The individual with the best local and global fitness... This will become the worst fitness corresponding individual. The learning objectives.

[0059] The worst-case scenario needs to be updated and iterated. The update strategy is: worst-case scenario Towards the local optimum within the group The system learns, then recalculates the fitness; if it is better than the initial value, the first update is completed. A shrinkage factor is introduced into the update strategy. and acceleration factor This is done to improve the speed at which poor individuals move towards local and global optima, while ensuring algorithm convergence. The individual self-learning update strategy used in the local search process is as follows: , In the formula, , ,generally = =2.05, For the number of iterations, yes The step size for each movement, A random number between [0,1). This represents the upper limit of the step size movement. If based on... The computational fitness is better than If the position is not as good as the initial position, the worst individual is moved to the globally optimal position from its original position. Then, the meme group is re-sorted by fitness, and the position of the worst individual in the next iteration is updated. The learning and updating strategy is as follows: If the fitness obtained from the second calculation is better than The initial fitness is used to update the individual's position. If learning fails, a randomly generated solution is used to replace it to complete the position update. In the formula, =1, =-1. After information is exchanged within the meme group, the fitness of all individuals is rearranged and grouped, and the local update strategy is repeated to realize information exchange between meme groups. This process stops after the maximum number of iterations, and finally optimization is achieved, resulting in a simplified single-fuel reaction mechanism that simultaneously meets the requirements of computational accuracy and speed.

[0060] Step S4: The simplified mechanisms of different single fuels are combined to obtain the mechanism of mixed fuels, and the cross-effect is quantitatively characterized by element labeling.

[0061] When merging simplified mechanisms of different single fuels, all elements involved in the reaction are represented by uppercase letters, resulting in the merged mechanism M0; the elements involved in the mechanism of a single fuel F are represented by lowercase letters, while the elements involved in the mechanisms of other single fuels are still represented by uppercase letters, resulting in the merged mechanism M. c Combustion mechanisms are sensitive to element case sensitivity. Mechanism M0 allows the exchange of intermediate components generated from the reaction of a single fuel F with other single fuels, while Mc blocks this exchange, i.e., the cross-effect. A comprehensive sensitivity evaluation method is used to compare mechanism M0 and mechanism M... c The difference in sensitivity coefficients, through Calculate the cross-reactivity coefficient CC and determine strong cross-reactivity, where S is the sensitivity coefficient.

[0062] This application also provides a specific application scenario for high-temperature combustion simulation of aviation fuels. In aviation fuel combustion simulation, Jet-A (a composite fuel composed of multiple hydrocarbon compounds) or its alternative model fuel (a mixture of n-heptane, isooctane, and toluene) is typically selected as the research object. These fuels belong to multi-component complex fuel systems, and their chemical reaction mechanisms involve thousands of intermediate species and thousands of elementary reactions. Traditional mechanism simplification methods, when directly merging the mechanisms of multiple fuels, encounter the following problems: free radicals from different fuels are incorrectly coupled across mechanisms, generating false cross-reaction pathways; false coupling leads to an expansion of the mechanism scale, significantly increasing computation time; the simulated ignition delay time and heat release rate deviate severely from experimental results, failing to accurately reflect the combustion characteristics of the mixed fuel. Therefore, a construction method is needed that can identify and screen real cross-reactions while maintaining mechanism simplification. Implementation steps: First, establish second simplified mechanisms for the component fuels. For the components in the Jet-A model fuel: n-heptane, isooctane, and toluene, a hybrid frog-leap algorithm is used to optimize the rate parameters to obtain their respective second simplified mechanisms. Each single-component mechanism contains approximately 200 to 300 species and 800 to 1000 elementary reactions. Next, mechanisms are merged and cross-reactions are classified: the second simplified mechanisms of the three fuels are merged to obtain the blended fuel mechanism. Under standard aviation combustion conditions, based on the source and reaction relationships of intermediate free radicals, the blended mechanisms are divided into two categories: mechanisms that allow cross-reactions. ， This includes identifying potential real chemical reactions between free radicals of different fuel components, as well as blocking cross-reaction mechanisms: all cross-fuel reaction channels of the aforementioned free radicals are blocked, retaining only the internal reactions of each fuel component to establish a comparative model for independent combustion of components. Then, cross-reaction coefficients are calculated and screened: under the same operating conditions, sensitivity analyses are performed on allowed and blocked cross-reaction mechanisms to obtain the comprehensive sensitivity coefficient of each elementary reaction, and the cross-reaction coefficient CC is calculated. When CC is greater than a set threshold, it indicates that the reaction plays a significant role in energy or free radical transfer between components and is retained as a strong cross-reaction; otherwise, it is discarded. Finally, a first simplified reaction mechanism is generated, defining the set of elementary reactions with cross-reaction coefficients greater than the threshold as the first simplified reaction mechanism for the mixed fuel. This embodiment, by screening cross-reactions of aviation fuel mixing mechanisms under high-temperature conditions, retains real free radical coupling paths and eliminates spurious reactions, reducing computational complexity by about half while ensuring the accuracy of combustion characteristic prediction, significantly improving the simulation efficiency and reliability of the high-temperature combustion process of fuel.

[0063] It should be noted that the steps shown in the flowchart in the accompanying drawings can be executed in a computer system such as a set of computer-executable instructions, and although a logical order is shown in the flowchart, in some cases the steps shown or described may be executed in a different order than that shown here.

[0064] This application also provides a simplified apparatus for the reaction mechanism of mixed fuels. It should be noted that this simplified apparatus for the reaction mechanism of mixed fuels can be used to execute the simplified method for the reaction mechanism of mixed fuels provided in this application. This apparatus is used to implement the above embodiments and preferred embodiments; details already described will not be repeated. As used below, the term "module" can refer to a combination of software and / or hardware that performs a predetermined function. Although the apparatus described in the following embodiments is preferably implemented in software, hardware implementation, or a combination of software and hardware, is also possible and contemplated.

[0065] The following describes a simplified apparatus for the mixed fuel reaction mechanism provided in the embodiments of this application.

[0066] Figure 3 This is a schematic diagram of a simplified apparatus for a mixed fuel reaction mechanism according to an embodiment of this application. Figure 3 As shown, the device includes:

[0067] The first determining unit 10 is used to determine the core mechanism and global sub-mechanism of each component fuel in the mixed fuel. The core mechanism characterizes the combustion reaction process of the component fuel with a carbon atom number less than or equal to a preset number, and the global sub-mechanism characterizes the combustion reaction process of the component fuel with a carbon atom number greater than the preset number.

[0068] Specifically, blended fuels consist of multiple single fuels, each involving hundreds or thousands of chemical reactions during combustion. To reduce computational complexity, the reaction mechanisms of each fuel are first broken down.

[0069] The second determining unit 20 is used to determine the comprehensive sensitivity coefficient of each elementary reaction in the combustion reaction process of the mixed fuel based on the core mechanism and global sub-mechanism of each of the above-mentioned component fuels. The comprehensive sensitivity coefficient characterizes the degree of influence of each of the above-mentioned elementary reactions on the combustion reaction process of the mixed fuel.

[0070] The third determining unit 30 is used to determine the key reaction among the multiple basic reactions based on the above-mentioned comprehensive sensitivity coefficients, and to determine the combustion conditions corresponding to the above-mentioned key reactions.

[0071] Specifically, the aforementioned key reactions are elementary reactions that have a significant impact on the overall combustion process during the combustion of mixed fuels.

[0072] The fourth determining unit 40 is used to determine the first simplified reaction mechanism of the above-mentioned mixed fuel based on the above-mentioned key reactions and the above-mentioned combustion conditions corresponding to each of the above-mentioned key reactions and the above-mentioned key reactions, using the mixed frog-leap algorithm.

[0073] In one alternative embodiment, the second determining unit comprises: a first determining module, configured to determine the first sensitivity of each of the elementary reactions included in the core mechanism and the global sub-mechanism of each of the aforementioned component fuels to the IDT, wherein the first sensitivity characterizes the degree of influence of each of the aforementioned elementary reactions on the IDT; a second determining module, configured to determine the second sensitivity of each of the elementary reactions included in the core mechanism and the global sub-mechanism of each of the aforementioned component fuels to the JSR, wherein the second sensitivity characterizes the degree of influence of each of the aforementioned elementary reactions on the aforementioned JSR; and a third determining module, configured to determine the comprehensive sensitivity coefficient of each of the aforementioned elementary reactions of the aforementioned blended fuel based on the first sensitivity and the second sensitivity.

[0074] In another optional embodiment, the first determining module includes: an acquisition submodule, configured to acquire each preset rate constant of each of the aforementioned elementary reactions, and determine a plurality of first products of each of the aforementioned preset rate constants of the aforementioned elementary reactions and a first preset constant; a first determining submodule, configured to determine a plurality of second products of each of the aforementioned preset rate constants of the aforementioned elementary reactions and a second preset constant; a second determining submodule, configured to determine a plurality of first quotients of each of the aforementioned first products and each of the aforementioned second products corresponding to each of the aforementioned elementary reactions, and determine a first logarithmic value of each of the aforementioned first quotients; a third determining submodule, configured to determine a second quotient of the aforementioned first preset constants and the aforementioned second preset constants, and determine a second logarithmic value of the aforementioned second quotients; and a fourth determining submodule, configured to determine that the aforementioned first sensitivity is a third quotient of the aforementioned first logarithmic value and the aforementioned second logarithmic value.

[0075] In some exemplary embodiments, the third determining module includes: a fifth determining submodule, configured to determine a first absolute value of each of the first sensitivities and to determine a third product of a first preset weighting coefficient and each of the first absolute values; a sixth determining submodule, configured to determine a second absolute value of each of the second sensitivities and to determine a fourth product of a second preset weighting coefficient and each of the second absolute values; and a seventh determining submodule, configured to determine that the sum of each of the third products and the fourth products corresponding to each of the third products is the comprehensive sensitivity coefficient of each of the elementary reactions.

[0076] In some other exemplary embodiments, the third determining unit includes: a fourth determining module, used to determine that the elementary reaction with a comprehensive sensitivity coefficient greater than a preset coefficient is the key reaction; and a fifth determining module, used to determine that the combustion conditions of the key reaction are the combustion conditions, the combustion conditions including the combustion environment temperature and the combustion environment pressure.

[0077] In some exemplary embodiments of this application, the fourth determining unit includes: a sixth determining module, configured to determine the rate parameters of each of the key reactions of each of the component fuels based on the hybrid frog-leap algorithm, wherein the rate parameters include a pre-exponential factor, a temperature index, and an activation energy; a seventh determining module, configured to determine each of the second simplified reaction mechanisms of each of the component fuels based on the rate parameters; and an eighth determining module, configured to determine the first simplified reaction mechanism of the mixed fuel based on the second simplified reaction mechanisms of each of the component fuels.

[0078] In some further exemplary embodiments of this application, the eighth determining module includes: a merging submodule, used to merge the second simplified reaction mechanisms of each of the above-mentioned component fuels to obtain the merging mechanism of the above-mentioned mixed fuel;

[0079] The eighth determining submodule is used to determine, under a preset combustion condition, the permissible cross-reaction mechanism and the blocking cross-reaction mechanism of each of the elementary reactions in the combustion reaction process of the mixed fuel according to the above-mentioned merging mechanism. The permissible cross-reaction mechanism characterizes the combustion reaction process in which intermediate components generated by combustion between the component fuels are allowed to participate in the reaction, and the blocking cross-reaction mechanism characterizes the combustion reaction process in which intermediate components generated by combustion between the component fuels are not allowed to participate in the reaction. The ninth determining submodule is used to determine the cross coefficient corresponding to each of the elementary reactions according to the permissible cross-reaction mechanism and the blocking cross-reaction mechanism. The cross coefficient characterizes the degree of influence of the cross-reaction between the component fuels on the combustion characteristics of the mixed fuel. The tenth determining submodule is used to determine the set of elementary reactions with cross coefficients greater than the preset cross coefficient as the first simplified reaction mechanism.

[0080] The simplified apparatus for the above-mentioned mixed fuel reaction mechanism includes a processor and a memory. The first determining unit, the second determining unit, the third determining unit, and the fourth determining unit are all stored as program units in the memory. The processor executes the program units stored in the memory to achieve the corresponding functions. All of the above modules are located in the same processor; or, the above modules are located in different processors in any combination.

[0081] The processor contains a kernel, which retrieves the corresponding program units from memory. One or more kernels can be configured, and by adjusting kernel parameters, at least the problems in existing technologies regarding the large scale and high computational complexity of mixed fuel reaction mechanisms, which make it difficult to achieve efficient simplification while maintaining accurate combustion characteristics, can be addressed.

[0082] The memory may include non-permanent memory in computer-readable media, such as random access memory (RAM) and / or non-volatile memory, such as read-only memory (ROM) or flash RAM, and the memory includes at least one memory chip.

[0083] This invention provides a computer-readable storage medium including a stored program, wherein a simplified method for controlling the device containing the computer-readable storage medium to perform the mixed fuel reaction mechanism is provided when the program is executed.

[0084] Specifically, simplified methods for the reaction mechanism of blended fuels include:

[0085] Step S101: Determine the core mechanism and global sub-mechanism of each component fuel in the mixed fuel. The core mechanism characterizes the combustion reaction process of the component fuel with a carbon atom number less than or equal to a preset number. The global sub-mechanism characterizes the combustion reaction process of the component fuel with a carbon atom number greater than the preset number.

[0086] Specifically, the blended fuel consists of multiple single fuels, each involving hundreds or thousands of chemical reactions during combustion. To reduce computational complexity, this application first breaks down the reaction mechanism of each fuel.

[0087] Step S102: Determine the comprehensive sensitivity coefficient of each elementary reaction in the combustion reaction process of the mixed fuel based on the core mechanism and global sub-mechanism of each of the above-mentioned component fuels. The comprehensive sensitivity coefficient characterizes the degree of influence of each of the above-mentioned elementary reactions on the combustion reaction process of the mixed fuel.

[0088] Step S103: Determine the key reactions among the above-mentioned elementary reactions based on the comprehensive sensitivity coefficients, and determine the combustion conditions corresponding to the above-mentioned key reactions.

[0089] Specifically, the aforementioned key reactions are elementary reactions that have a significant impact on the overall combustion process during the combustion of mixed fuels.

[0090] Step S104: Based on the above-mentioned key reactions and the above-mentioned combustion conditions corresponding to each of the above-mentioned key reactions, determine the first simplified reaction mechanism of the above-mentioned mixed fuel using the hybrid frog-leap algorithm.

[0091] Optionally, determining the comprehensive sensitivity coefficient of each elementary reaction in the combustion reaction process of the blended fuel based on the core mechanism and global sub-mechanism of each of the aforementioned component fuels includes: determining the first sensitivity of each elementary reaction included in the core mechanism and global sub-mechanism of each of the aforementioned component fuels to IDT, wherein the first sensitivity characterizes the degree of influence of each elementary reaction on the IDT; determining the second sensitivity of each elementary reaction included in the core mechanism and global sub-mechanism of each of the aforementioned component fuels to JSR, wherein the second sensitivity characterizes the degree of influence of each elementary reaction on the JSR; and determining the comprehensive sensitivity coefficient of each elementary reaction of the blended fuel based on the first sensitivity and the second sensitivity.

[0092] Optionally, determining the first sensitivity of each of the aforementioned elementary reactions to IDT, which are included in the core mechanism of each of the aforementioned component fuels, includes: obtaining each of the aforementioned elementary reactions' preset rate constants, and determining a plurality of first products of each of the aforementioned elementary reactions' preset rate constants and a first preset constant; determining a plurality of second products of each of the aforementioned elementary reactions' preset rate constants and a second preset constant; determining a plurality of first quotients of each of the aforementioned first products and each of the aforementioned second products corresponding to each of the aforementioned elementary reactions, and determining a first logarithmic value of each of the aforementioned first quotients; determining a second quotient of the aforementioned first preset constants and the aforementioned second preset constants, and determining a second logarithmic value of the aforementioned second quotients; and determining the aforementioned first sensitivity as a third quotient of the aforementioned first logarithmic value and the aforementioned second logarithmic value.

[0093] Optionally, determining the comprehensive sensitivity coefficient of each of the elementary reactions of the mixed fuel based on the first sensitivity and the second sensitivity includes: determining a first absolute value of each of the first sensitivities and determining a third product of a first preset weighting coefficient and each of the first absolute values; determining a second absolute value of each of the second sensitivities and determining a fourth product of a second preset weighting coefficient and each of the second absolute values; and determining the sum of multiple values ​​of each of the third products and the fourth products corresponding to each of the third products as the comprehensive sensitivity coefficient of each of the elementary reactions.

[0094] Optionally, based on the aforementioned comprehensive sensitivity coefficients, key reactions among the aforementioned elementary reactions are determined, and the combustion conditions corresponding to the aforementioned key reactions are determined, including: determining the aforementioned elementary reactions whose comprehensive sensitivity coefficients are greater than preset coefficients as the aforementioned key reactions; determining the combustion conditions of the aforementioned key reactions as the aforementioned combustion conditions, wherein the aforementioned combustion conditions include combustion ambient temperature and combustion ambient pressure.

[0095] Optionally, based on the aforementioned key reactions and the corresponding combustion conditions, a first simplified reaction mechanism of the mixed fuel is determined using a hybrid leapfrog algorithm, including: determining the rate parameters of each of the aforementioned key reactions of each of the aforementioned component fuels based on the hybrid leapfrog algorithm, wherein the rate parameters include a pre-exponential factor, a temperature index, and an activation energy; determining a second simplified reaction mechanism of each of the aforementioned component fuels based on the rate parameters; and determining the first simplified reaction mechanism of the mixed fuel based on the second simplified reaction mechanism of each of the aforementioned component fuels.

[0096] Optionally, determining the first simplified reaction mechanism of the mixed fuel based on the second simplified reaction mechanisms of each of the aforementioned component fuels includes: merging the second simplified reaction mechanisms of each of the aforementioned component fuels to obtain a merged mechanism for the mixed fuel; under a preset combustion condition, determining the permissible cross-reaction mechanism and the blocking cross-reaction mechanism of each of the aforementioned elementary reactions in the combustion reaction process of the mixed fuel based on the merged mechanism, wherein the permissible cross-reaction mechanism characterizes the combustion reaction process in which intermediate components generated during combustion are allowed to participate in the reaction between the aforementioned component fuels, and the blocking cross-reaction mechanism characterizes the combustion reaction process in which intermediate components generated during combustion are not allowed to participate in the reaction between the aforementioned component fuels; determining the cross-reaction coefficient corresponding to each of the aforementioned elementary reactions based on the permissible cross-reaction mechanism and the blocking cross-reaction mechanism, wherein the cross-reaction coefficient characterizes the degree of influence of the cross-reaction between the aforementioned component fuels on the combustion characteristics of the mixed fuel; and determining the set of elementary reactions with cross-reaction coefficients greater than a preset cross-reaction coefficient as the first simplified reaction mechanism.

[0097] This invention provides a simplified system for the reaction mechanism of a mixed fuel, including one or more processors, a memory, and a program stored in the memory and executable on the processor. When the processor executes the program, it performs at least the following steps: Step S101, determining the core mechanism and global sub-mechanism of each component fuel in the mixed fuel, wherein the core mechanism characterizes the combustion reaction process of the component fuel in which the number of carbon atoms is less than or equal to a preset number, and the global sub-mechanism characterizes the combustion reaction process of the component fuel in which the number of carbon atoms is greater than the preset number.

[0098] Specifically, the blended fuel consists of multiple single fuels, each involving hundreds or thousands of chemical reactions during combustion. To reduce computational complexity, this application first breaks down the reaction mechanism of each fuel.

[0099] Step S102: Determine the comprehensive sensitivity coefficient of each elementary reaction in the combustion reaction process of the mixed fuel based on the core mechanism and global sub-mechanism of each of the above-mentioned component fuels. The comprehensive sensitivity coefficient characterizes the degree of influence of each of the above-mentioned elementary reactions on the combustion reaction process of the mixed fuel.

[0100] Step S103: Determine the key reactions among the above-mentioned elementary reactions based on the comprehensive sensitivity coefficients, and determine the combustion conditions corresponding to the above-mentioned key reactions.

[0101] Specifically, the aforementioned key reactions are elementary reactions that have a significant impact on the overall combustion process during the combustion of mixed fuels.

[0102] Step S104: Based on the above-mentioned key reactions and the above-mentioned combustion conditions corresponding to each of the above-mentioned key reactions, determine the first simplified reaction mechanism of the above-mentioned mixed fuel using the hybrid frog-leap algorithm.

[0103] Optionally, determining the comprehensive sensitivity coefficient of each elementary reaction in the combustion reaction process of the blended fuel based on the core mechanism and global sub-mechanism of each of the aforementioned component fuels includes: determining the first sensitivity of each elementary reaction included in the core mechanism and global sub-mechanism of each of the aforementioned component fuels to IDT, wherein the first sensitivity characterizes the degree of influence of each elementary reaction on the IDT; determining the second sensitivity of each elementary reaction included in the core mechanism and global sub-mechanism of each of the aforementioned component fuels to JSR, wherein the second sensitivity characterizes the degree of influence of each elementary reaction on the JSR; and determining the comprehensive sensitivity coefficient of each elementary reaction of the blended fuel based on the first sensitivity and the second sensitivity.

[0104] Optionally, determining the first sensitivity of each of the aforementioned elementary reactions to IDT, which are included in the core mechanism of each of the aforementioned component fuels, includes: obtaining each of the aforementioned elementary reactions' preset rate constants, and determining a plurality of first products of each of the aforementioned elementary reactions' preset rate constants and a first preset constant; determining a plurality of second products of each of the aforementioned elementary reactions' preset rate constants and a second preset constant; determining a plurality of first quotients of each of the aforementioned first products and each of the aforementioned second products corresponding to each of the aforementioned elementary reactions, and determining a first logarithmic value of each of the aforementioned first quotients; determining a second quotient of the aforementioned first preset constants and the aforementioned second preset constants, and determining a second logarithmic value of the aforementioned second quotients; and determining the aforementioned first sensitivity as a third quotient of the aforementioned first logarithmic value and the aforementioned second logarithmic value.

[0105] Optionally, determining the comprehensive sensitivity coefficient of each of the elementary reactions of the mixed fuel based on the first sensitivity and the second sensitivity includes: determining a first absolute value of each of the first sensitivities and determining a third product of a first preset weighting coefficient and each of the first absolute values; determining a second absolute value of each of the second sensitivities and determining a fourth product of a second preset weighting coefficient and each of the second absolute values; and determining the sum of multiple values ​​of each of the third products and the fourth products corresponding to each of the third products as the comprehensive sensitivity coefficient of each of the elementary reactions.

[0106] Optionally, based on the aforementioned comprehensive sensitivity coefficients, key reactions among the aforementioned elementary reactions are determined, and the combustion conditions corresponding to the aforementioned key reactions are determined, including: determining the aforementioned elementary reactions whose comprehensive sensitivity coefficients are greater than preset coefficients as the aforementioned key reactions; determining the combustion conditions of the aforementioned key reactions as the aforementioned combustion conditions, wherein the aforementioned combustion conditions include combustion ambient temperature and combustion ambient pressure.

[0107] Optionally, based on the aforementioned key reactions and the corresponding combustion conditions, a first simplified reaction mechanism of the mixed fuel is determined using a hybrid leapfrog algorithm, including: determining the rate parameters of each of the aforementioned key reactions of each of the aforementioned component fuels based on the hybrid leapfrog algorithm, wherein the rate parameters include a pre-exponential factor, a temperature index, and an activation energy; determining a second simplified reaction mechanism of each of the aforementioned component fuels based on the rate parameters; and determining the first simplified reaction mechanism of the mixed fuel based on the second simplified reaction mechanism of each of the aforementioned component fuels.

[0108] Optionally, determining the first simplified reaction mechanism of the mixed fuel based on the second simplified reaction mechanisms of each of the aforementioned component fuels includes: merging the second simplified reaction mechanisms of each of the aforementioned component fuels to obtain a merged mechanism for the mixed fuel; under a preset combustion condition, determining the permissible cross-reaction mechanism and the blocking cross-reaction mechanism of each of the aforementioned elementary reactions in the combustion reaction process of the mixed fuel based on the merged mechanism, wherein the permissible cross-reaction mechanism characterizes the combustion reaction process in which intermediate components generated during combustion are allowed to participate in the reaction between the aforementioned component fuels, and the blocking cross-reaction mechanism characterizes the combustion reaction process in which intermediate components generated during combustion are not allowed to participate in the reaction between the aforementioned component fuels; determining the cross-reaction coefficient corresponding to each of the aforementioned elementary reactions based on the permissible cross-reaction mechanism and the blocking cross-reaction mechanism, wherein the cross-reaction coefficient characterizes the degree of influence of the cross-reaction between the aforementioned component fuels on the combustion characteristics of the mixed fuel; and determining the set of elementary reactions with cross-reaction coefficients greater than a preset cross-reaction coefficient as the first simplified reaction mechanism.

[0109] The devices mentioned in this article can be servers, PCs, tablets, mobile phones, etc.

[0110] It is obvious to those skilled in the art that the modules or steps of the present invention described above can be implemented using general-purpose computing devices. They can be centralized on a single computing device or distributed across a network of multiple computing devices. They can be implemented using computer-executable program code, and thus can be stored in a storage device for execution by a computing device. In some cases, the steps shown or described can be performed in a different order than those described herein, or they can be fabricated as separate integrated circuit modules, or multiple modules or steps can be fabricated as a single integrated circuit module. Thus, the present invention is not limited to any particular combination of hardware and software.

[0111] Those skilled in the art will understand that embodiments of this application can be provided as methods, systems, or computer program products. Therefore, this application can take the form of a completely hardware embodiment, a completely software embodiment, or an embodiment combining software and hardware aspects. Furthermore, this application can take the form of a computer program product embodied on one or more computer-usable storage media (including but not limited to disk storage, CD-ROM, optical storage, etc.) containing computer-usable program code.

[0112] This application is described with reference to flowchart illustrations and / or block diagrams of methods, apparatus (systems), and computer program products according to embodiments of this application. It will be understood that each block of the flowchart illustrations and / or block diagrams, and combinations of blocks in the flowchart illustrations and / or block diagrams, can be implemented by computer program instructions. These computer program instructions can be provided to a processor of a general-purpose computer, special-purpose computer, embedded processor, or other programmable data processing apparatus to produce a machine, such that the instructions, which execute via the processor of the computer or other programmable data processing apparatus, generate instructions for implementing the flowchart... Figure 1 One or more processes and / or boxes Figure 1 A device that provides the functions specified in one or more boxes.

[0113] These computer program instructions may also be stored in a computer-readable storage medium that can direct a computer or other programmable data processing device to function in a particular manner, such that the instructions stored in the computer-readable storage medium produce an article of manufacture including instruction means, which are implemented in a process Figure 1 One or more processes and / or boxes Figure 1 The function specified in one or more boxes.

[0114] These computer program instructions may also be loaded onto a computer or other programmable data processing equipment to cause a series of operational steps to be performed on the computer or other programmable equipment to produce a computer-implemented process, thereby providing instructions that execute on the computer or other programmable equipment for implementing the process. Figure 1 One or more processes and / or boxes Figure 1 The steps of the function specified in one or more boxes.

[0115] In a typical configuration, a computing device includes one or more processors (CPU), input / output interfaces, network interfaces, and memory.

[0116] Memory may include non-persistent memory in computer-readable media, such as random access memory (RAM) and / or non-volatile memory, like read-only memory (ROM) or flash RAM. Memory is an example of computer-readable media.

[0117] Computer-readable media includes both permanent and non-permanent, removable and non-removable media that can store information using any method or technology. Information can be computer-readable instructions, data structures, modules of programs, or other data. Examples of computer storage media include, but are not limited to, phase-change memory (PRAM), static random access memory (SRAM), dynamic random access memory (DRAM), other types of random access memory (RAM), read-only memory (ROM), electrically erasable programmable read-only memory (EEPROM), flash memory or other memory technologies, CD-ROM, digital versatile optical disc (DVD) or other optical storage, magnetic tape, magnetic disk storage or other magnetic storage devices, or any other non-transferable medium that can be used to store information accessible by a computing device. As defined herein, computer-readable media does not include transient computer-readable media, such as modulated data signals and carrier waves.

[0118] The technical features of the above embodiments can be combined in any way. For the sake of brevity, not all possible combinations of the technical features in the above embodiments are described. However, as long as there is no contradiction in the combination of these technical features, they should be considered to be within the scope of this specification.

[0119] It should also be noted that the terms "comprising," "including," or any other variations thereof are intended to cover non-exclusive inclusion, such that a process, method, article, or apparatus that comprises a list of elements includes not only those elements but also other elements not expressly listed, or elements inherent to such process, method, article, or apparatus. Unless otherwise specified, an element defined by the phrase "comprising one..." does not exclude the presence of other identical elements in the process, method, article, or apparatus that includes that element.

[0120] As can be seen from the above description, the embodiments of this application achieve the following technical effects:

[0121] The simplified method for the reaction mechanism of blended fuels in this application stratifies the reaction mechanism of each component fuel in the blend. Reactions with fewer carbon atoms and shorter reaction chains are designated as core mechanisms, responsible for describing the detailed reaction process of small molecules, involving high-temperature stages of combustion, such as free radical generation and chain reactions. Reactions with more carbon atoms and more complex reaction pathways are designated as global sub-mechanisms, mainly describing the gradual oxidation and decomposition of fuel macromolecules into smaller molecules and a small number of free radicals. This allows for the removal of reaction channels with weak correlation to the overall combustion law during the modeling stage, reducing the scale of the mechanism. Through comprehensive sensitivity analysis, key reactions are identified. After obtaining the core and global mechanisms of each component fuel, a comprehensive sensitivity coefficient analysis method is used to determine the key reactions that truly determine the combustion characteristics of the blended fuel, while eliminating reactions with minimal impact on combustion behavior. This simplifies the mechanism to be both lightweight and maintains the authenticity of combustion characteristics, ensuring both the physical accuracy of the simulation and significantly improving computational efficiency and model stability. This solves the problem in existing technologies where the reaction mechanisms of blended fuels are large in scale and computationally complex, making it difficult to achieve efficient simplification while maintaining the accuracy of combustion characteristics.

[0122] The above description is merely a preferred embodiment of this application and is not intended to limit this application. Various modifications and variations can be made to this application by those skilled in the art. Any modifications, equivalent substitutions, improvements, etc., made within the spirit and principles of this application should be included within the protection scope of this application.

Claims

1. A simplified method for understanding the reaction mechanism of mixed fuels, characterized in that, include: The core mechanism and global sub-mechanism of each component fuel in the blended fuel are determined. The core mechanism characterizes the combustion reaction process of the component fuel with a carbon atom number less than or equal to a preset number, and the global sub-mechanism characterizes the combustion reaction process of the component fuel with a carbon atom number greater than the preset number. The comprehensive sensitivity coefficient of each elementary reaction in the combustion reaction process of the blended fuel is determined based on the core mechanism and global sub-mechanism of each component fuel. The comprehensive sensitivity coefficient characterizes the degree of influence of each elementary reaction on the combustion reaction process of the blended fuel. Based on the comprehensive sensitivity coefficients described above, the key reactions among the multiple elementary reactions are determined, and the combustion conditions corresponding to the key reactions are determined. Based on each of the key reactions and the corresponding combustion conditions, the first simplified reaction mechanism of the mixed fuel is determined using the hybrid frog-leap algorithm.

2. The method according to claim 1, characterized in that, The comprehensive sensitivity coefficients of each elementary reaction in the combustion reaction process of the blended fuel are determined based on the core mechanism and global sub-mechanism of each component fuel, including: The first sensitivity of each of the elementary reactions included in the core mechanism and the global sub-mechanism of each of the component fuels to the IDT is determined respectively, and the first sensitivity characterizes the degree of influence of each of the elementary reactions on the IDT; The second sensitivity of each of the elementary reactions included in the core mechanism and global sub-mechanism of each of the component fuels to the JSR results is determined respectively, and the second sensitivity characterizes the degree of influence of each of the elementary reactions on the JSR results; The combined sensitivity coefficient of each of the elementary reactions of the blended fuel is determined based on the first sensitivity and the second sensitivity.

3. The method according to claim 2, characterized in that, Determining the first sensitivity of each of the elementary reactions included in the core mechanism and global sub-mechanism of each of the aforementioned component fuels to IDT includes: Obtain each preset rate constant of each of the elementary reactions, and determine a plurality of first products of each preset rate constant of each of the elementary reactions and a first preset constant; Determine multiple second products of each of the predetermined rate constants and second predetermined constants for each of the elementary reactions; Determine multiple first quotients of each of the first products and each of the second products corresponding to each of the elementary reactions, and determine a first logarithmic value of each of the first quotients; Determine the second quotient of the first preset constant and the second preset constant, and determine the second logarithm of the second quotient; The first sensitivity is determined to be the third quotient of the first logarithmic value and the second logarithmic value.

4. The method according to claim 2, characterized in that, Determining the combined sensitivity coefficient of each of the elementary reactions of the blended fuel based on the first sensitivity and the second sensitivity includes: Determine the first absolute value of each of the first sensitivities, and determine the third product of the first preset weight coefficient and each of the first absolute values; Determine the second absolute value of each of the second sensitivities, and determine the fourth product of the second preset weight coefficient and each of the second absolute values; The sum of each of the third products and the corresponding fourth products is determined to be the comprehensive sensitivity coefficient of each of the elementary reactions.

5. The method according to claim 1, characterized in that, Based on the comprehensive sensitivity coefficients described above, the key reactions among the multiple elementary reactions are determined, and the combustion conditions corresponding to the key reactions are determined, including: The elementary reactions whose comprehensive sensitivity coefficient is greater than a preset coefficient are identified as the key reactions; The combustion conditions for the key reaction are defined as the combustion conditions, which include the ambient temperature and ambient pressure.

6. The method according to claim 1, characterized in that, Based on the key reactions and the corresponding combustion conditions, a first simplified reaction mechanism of the mixed fuel is determined using a hybrid leapfrog algorithm, including: The rate parameters of each key reaction of each component fuel are determined based on the hybrid frog-leap algorithm, and the rate parameters include pre-exponential factor, temperature exponent and activation energy; The second simplified reaction mechanism for each component fuel is determined based on the rate parameters. The first simplified reaction mechanism of the blended fuel is determined based on the second simplified reaction mechanism of each of the component fuels.

7. The method according to claim 6, characterized in that, Determining the first simplified reaction mechanism of the blended fuel based on the second simplified reaction mechanism of each of the component fuels includes: By combining the second simplified reaction mechanisms of each of the aforementioned component fuels, the combined mechanism of the mixed fuel is obtained; Under preset combustion conditions, the permissible cross-reaction mechanism and the blocking cross-reaction mechanism of each elementary reaction in the combustion reaction process of the mixed fuel are determined according to the merging mechanism. The permissible cross-reaction mechanism characterizes the combustion reaction process in which intermediate components generated by combustion between each component fuel are allowed to participate in the reaction, and the blocking cross-reaction mechanism characterizes the combustion reaction process in which intermediate components generated by combustion between each component fuel are not allowed to participate in the reaction. The cross-reaction coefficients corresponding to each of the elementary reactions are determined based on the permitted cross-reaction mechanism and the blocked cross-reaction mechanism. The cross-reaction coefficients characterize the degree of influence of the cross-reaction between each of the component fuels on the combustion characteristics of the blended fuel. The set of elementary reactions whose cross-coefficients are greater than a preset cross-coefficient is determined as the first simplified reaction mechanism.

8. A simplified apparatus for a mixed fuel reaction mechanism, characterized in that, include: The first determining unit is used to determine the core mechanism and global sub-mechanism of each component fuel in the mixed fuel. The core mechanism characterizes the combustion reaction process of the component fuel with a carbon atom number less than or equal to a preset number, and the global sub-mechanism characterizes the combustion reaction process of the component fuel with a carbon atom number greater than the preset number. The second determining unit is used to determine the comprehensive sensitivity coefficient of each elementary reaction in the combustion reaction process of the mixed fuel based on the core mechanism and the global sub-mechanism of each component fuel. The comprehensive sensitivity coefficient characterizes the degree of influence of each elementary reaction on the combustion reaction process of the mixed fuel. The third determining unit is used to determine the key reaction among the multiple elementary reactions based on the comprehensive sensitivity coefficients, and to determine the combustion conditions corresponding to the key reactions. The fourth determining unit is used to determine the first simplified reaction mechanism of the mixed fuel based on the hybrid frog-leap algorithm, according to each of the key reactions and the combustion conditions corresponding to each of the key reactions.

9. A computer-readable storage medium, characterized in that, The computer-readable storage medium includes a stored program, wherein, when the program is executed, it controls the device on which the computer-readable storage medium is located to perform the method according to any one of claims 1 to 7.

10. A simplified system for a mixed fuel reaction mechanism, characterized in that, include: One or more processors, a memory, and one or more programs, wherein the one or more programs are stored in the memory and configured to be executed by the one or more processors, the one or more programs comprising methods for performing any one of claims 1 to 7.

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