Calibration method and device for electrochemical simulation model of fuel cell and computer equipment

Abstract

The invention discloses a calibration method and device for an electrochemical simulation model of a fuel cell and computer equipment, and the calibration method comprises the steps: determining calibration parameters under three losses according to the fact that the operation voltage of the cell under different current densities is mainly determined by activation voltage loss, ohm voltage loss and concentration difference voltage loss; performing a first round of simulation calculation based on the initial default parameters; respectively calibrating curvature and displacement of activation voltage loss by adjusting a charge transfer coefficient and reference exchange current density; calibrating the slope of ohmic voltage loss by adjusting the reference ion conductivity of the proton exchange membrane; the curvature of the concentration difference voltage loss is calibrated by adjusting the curvature of the gas diffusion layer; and the final polarization curve is calibrated by fine tuning the conductivity and the curvature of the reference ions in sequence. According to the method, calibration of the test polarization curve can be completed rapidly and effectively, the calibration precision is controlled within 2%, and the problem of calibration result difference caused by experience difference of calibration engineers can be solved.

Description

Technical Field

[0001] The present invention belongs to the technical field of fuel cells, and in particular to a calibration method, device and computer equipment for a fuel cell electrochemical simulation model. Background Art

[0002] Theoretical calculation, experimental test and numerical simulation are three commonly used methods in the product development process. However, due to the extremely complex physical and electrochemical phenomena occurring inside the fuel cell, simulation is extremely difficult, so the current fuel cell simulation technology is not yet mature and is still in a rapid development stage. For simulation, the calibration method determines the accuracy and efficiency of the simulation model. At present, for fuel cell electrochemical simulation, there is no effective calibration method to support the rapid calibration of fuel cell electrochemical simulation models.

[0003] Chinese invention patent CN 114824373 B relates to a method, device and equipment for optimizing fuel cell performance by combining simulation and experiment, and specifically discloses a specific process of calibrating the initial fuel cell simulation model according to a plurality of actual output voltages to obtain a calibrated fuel cell simulation model. It can be seen that although the patent document mentions the calibration of the fuel cell electrochemical simulation model, and the calibration result meets a certain accuracy, it does not introduce or elaborate on the calibration method involved. It is speculated that the method adopted is a conventional parameter adjustment method, that is, calibration is performed by continuously adjusting parameters in large quantities, which has the characteristics of long calibration time and low calibration efficiency; and different engineers often obtain different calibration parameters when performing calibration.

[0004] The input parameters of the fuel cell electrochemical simulation model can be summarized into four categories: structural design parameters, boundary / initial conditions, material properties parameters, and reaction kinetics parameters. The general idea of ​​calibration is to use the actual known parameters as fixed parameters and the unknown parameters as calibration parameters. The calibration purpose will be achieved by adjusting the unknown parameters based on the test results. For structural design parameters, they are generally known and usually related to the grid resolution; for boundary / initial conditions, they are generally derived from experiments and are also known; for material properties, although they are the material's own characteristics, some parameters are difficult to obtain through experimental measurement, so there are unknown parameters; for reaction kinetics parameters, it is usually difficult to obtain experimentally or there are many influencing factors, so they are generally unknown parameters.

[0005] Although calibration parameters can be easily obtained through simple analysis, for the fuel cell electrochemical simulation model, due to the large number of calibration parameters and the mutual coupling effects, it is difficult to obtain a set of reasonable calibration parameters to make the simulation model meet the accuracy requirements if only conventional parameter adjustments are used. Summary of the invention

[0006] In view of the above technical problems, the purpose of the present invention is to provide a calibration method, device and computer equipment for a fuel cell electrochemical simulation model, which can quickly and effectively complete the calibration of the experimental polarization curve, with the calibration accuracy controlled within 2%, and can solve the problem of differences in calibration results due to differences in experience of calibration engineers.

[0007] In order to achieve the above object, the technical solution adopted by the present invention is as follows:

[0008] A calibration method for a fuel cell electrochemical simulation model,

[0009] According to the working principle of fuel cells, the operating voltage at different current densities is mainly determined by three major losses, namely activation voltage loss, ohmic voltage loss and concentration voltage loss;

[0010] Perform the first round of simulation calculations based on the initial default parameters;

[0011] According to the calibration parameters of each of the three major losses, the activation voltage loss calibration, ohmic voltage loss calibration and concentration voltage loss calibration are carried out respectively. Between the voltage loss calibrations in any order, the deviation of the former calibration process caused by the latter calibration process is iterated by fine-tuning the corresponding calibration parameters in sequence to complete the calibration of the final polarization curve.

[0012] In some technical solutions, the calibration parameters corresponding to the activation voltage loss are selected from reference exchange current density and charge transfer coefficient; and / or, the calibration parameters corresponding to the ohmic voltage loss are selected from reference ionic conductivity;

[0013] And / or, the calibration parameter corresponding to the concentration voltage loss is the curvature of the gas diffusion layer.

[0014] In some technical solutions, the specific steps of the activation voltage loss calibration are: changing the curvature of the activation voltage loss part of the polarization curve by adjusting the charge transfer coefficient; at the same time, shifting the position of the activation voltage loss part of the polarization curve by adjusting the reference exchange current density so that the simulated activation voltage loss is consistent with the experimental test results; and / or,

[0015] The specific steps of the ohmic voltage loss calibration are: changing the slope of the ohmic voltage loss part of the polarization curve by adjusting the reference ion conductivity of the proton exchange membrane so that the simulated ohmic voltage loss is consistent with the experimental test result; and / or,

[0016] The specific steps of the concentration voltage loss calibration are: changing the curvature of the concentration voltage loss part of the polarization curve by adjusting the curvature of the gas diffusion layer, so that the simulated concentration voltage loss is consistent with the experimental test result.

[0017] In some technical solutions, the error of the activation voltage loss calibration is within 2%; the error of the ohmic voltage loss calibration is within 2%; the error of the concentration voltage loss calibration is within 2%; and the calibration accuracy of the polarization curve is within 2%.

[0018] In some technical solutions, when the concentration voltage loss calibration process causes a deviation in the ohmic voltage loss calibration process, the calibration of the final polarization curve is completed by sequentially fine-tuning the reference ion conductivity and curvature and iterating multiple times.

[0019] In some technical solutions, the step of performing a first round of simulation calculation based on initial default parameters further includes:

[0020] The polarization curve obtained by simulation is compared with the polarization curve of experimental test, and the difference between the two is analyzed.

[0021] A calibration device for a fuel cell electrochemical simulation model, comprising:

[0022] The battery operation process determination unit is used to determine the calibration parameters under the three major losses based on the fact that the operating voltage of the battery under different current densities is mainly determined by the activation voltage loss, the ohmic voltage loss and the concentration voltage loss;

[0023] The operation parameter simulation calculation unit is used to perform the first round of simulation calculation according to the initial default parameters, compare the polarization curve obtained by simulation with the polarization curve tested by experiment, and analyze the difference between the two;

[0024] The pressure loss calibration unit is used to perform activation voltage loss calibration, ohmic voltage loss calibration and concentration voltage loss calibration according to the calibration parameters of the three major losses;

[0025] The joint deviation calibration unit is used for voltage loss calibration in any order. The deviation of the calibration process in the former order caused by the calibration process in the latter order is iterated by fine-tuning the corresponding calibration parameters in sequence to complete the calibration of the final polarization curve.

[0026] In some technical solutions, the pressure loss calibration unit specifically includes:

[0027] An activation voltage loss calibration unit, used to calibrate the curvature and displacement of the activation voltage loss by adjusting the charge transfer coefficient and the reference exchange current density;

[0028] An ohmic voltage loss calibration unit, used to calibrate the slope of the ohmic voltage loss by adjusting the reference ion conductivity of the proton exchange membrane;

[0029] The concentration voltage loss calibration unit is used to calibrate the curvature of the concentration voltage loss by adjusting the curvature of the gas diffusion layer.

[0030] A computer device comprises a memory and a processor, wherein the memory stores a computer program, and wherein the processor implements the steps of the above-mentioned calibration method when executing the computer program.

[0031] A computer-readable storage medium stores a computer program, which implements the steps of the above-mentioned calibration method when executed by a processor.

[0032] The present invention adopts the above technical solution to have at least the following beneficial effects:

[0033] The present invention provides a fuel cell electrochemical simulation model calibration method, device and computer equipment, which can quickly and effectively complete the calibration of the test polarization curve, the calibration accuracy is controlled within 2%, and the problem of calibration result differences due to differences in experience of calibration engineers can be solved. BRIEF DESCRIPTION OF THE DRAWINGS

[0034] In order to more clearly illustrate the technical solutions in the embodiments of the present invention, the following briefly introduces the drawings and their marks required for use in the embodiments. Obviously, the drawings described below are only some embodiments of the present invention. For ordinary technicians in this field, other drawings can be obtained based on these drawings without creative work.

[0035] Figure 1 A flow chart of a method for calibrating a fuel cell electrochemical simulation model according to an embodiment of the present invention;

[0036] Figure 2 A comparison diagram of the simulated polarization curve and the experimental polarization curve according to the embodiment of the present invention;

[0037] Figure 3 This is a comparison chart between the simulated polarization curve obtained by the conventional parameter adjustment method and the experimental polarization curve. DETAILED DESCRIPTION

[0038] In order to make the purpose, technical solutions and advantages of the embodiments of the present application clearer, the technical solutions in the embodiments of the present application will be clearly and completely described below in combination with the drawings in the embodiments of the present application. Obviously, the described embodiments are only part of the embodiments of the present application, not all of the embodiments.

[0039] According to one aspect of the present invention, see Figure 1 , a calibration method for a fuel cell electrochemical simulation model is shown, which specifically includes the following steps:

[0040] Step 1: According to the fact that the operating voltage of the battery at different current densities is mainly determined by activation voltage loss, ohmic voltage loss and concentration voltage loss, determine the calibration parameters under the three major losses;

[0041] Specifically, the calibration parameters corresponding to the activation voltage loss are the reference exchange current density and charge transfer coefficient; the calibration parameters corresponding to the ohmic voltage loss are the reference ion conductivity; and the calibration coefficient corresponding to the concentration voltage loss is the curvature of the gas diffusion layer. The above calibration parameters have a relatively obvious decoupling relationship with each other.

[0042] Step 2: Perform the first round of simulation calculations based on the initial default parameters, compare the polarization curves obtained by simulation with the polarization curves tested, and analyze the differences between the two;

[0043] Step 3: Calibrate the activation voltage loss. The curvature of the activation voltage loss part of the polarization curve can be changed by adjusting the charge transfer coefficient. The position of the activation voltage loss part of the polarization curve can be translated by adjusting the reference exchange current density. A set of charge transfer coefficients and reference exchange current density can be determined to make the simulated activation voltage loss consistent with the experimental test.

[0044] Step 4: Calibrate the ohmic voltage loss. Based on the above results, the slope of the ohmic voltage loss part of the polarization curve can be changed by adjusting the reference ion conductivity of the proton exchange membrane, thereby completing the calibration of the ohmic voltage loss.

[0045] Step 5: Calibrate the concentration voltage loss. Based on the above results, the curvature of the concentration voltage loss part of the polarization curve can be changed by adjusting the curvature of the gas diffusion layer, thereby completing the calibration of the concentration voltage loss.

[0046] Step 6: When the adjustment of the curvature causes a deviation in the ohmic voltage loss, the reference ion conductivity and curvature are fine-tuned in sequence, iterated 1 or 2 times, and the final polarization curve is calibrated.

[0047] It should be pointed out that the present invention performs activation voltage loss calibration, ohmic voltage loss calibration and concentration voltage loss calibration respectively according to the respective calibration parameters under the three major losses. Between the voltage loss calibrations in any order, the deviation of the calibration process in the former order caused by the calibration process in the latter order is iterated by fine-tuning the corresponding calibration parameters in sequence to complete the calibration of the final polarization curve. The specific calibration sequence of each voltage loss is not required, and the error of the activation voltage loss calibration implemented according to the calibration method of the present invention is within 2%; the error of the ohmic voltage loss calibration is within 2%; the error of the concentration voltage loss calibration is within 2%. The order in "between voltage loss calibrations in any order" here refers to the calibration order of activation voltage loss calibration, ohmic voltage loss calibration and concentration voltage loss calibration, for example, calibrating in sequence according to activation voltage loss calibration, ohmic voltage loss calibration and concentration voltage loss calibration, or calibrating according to ohmic voltage loss calibration, concentration voltage loss calibration and activation voltage loss calibration, or other orders. For example, in an application, the activation voltage loss calibration, ohmic voltage loss calibration and concentration difference voltage loss calibration are used in sequence. In this case, the voltage loss calibration in the latter sequence may be the ohmic voltage loss calibration, and the voltage loss calibration in the former sequence may be the activation voltage loss calibration; or the voltage loss calibration in the latter sequence may be the concentration difference voltage loss calibration, and the voltage loss calibration in the former sequence may be the ohmic voltage loss calibration, and so on.

[0048] The present invention can realize the calibration of polarization curves through the above standardized calibration method and process. Figure 2 , it can be seen that the calibration accuracy is within 2%, for comparison, see Figure 3 , which is a comparison diagram of the simulated polarization curve obtained by the conventional parameter adjustment method and the experimental polarization curve, and the calibration error is about 10%; it can be seen that by adopting the calibration method of the present invention, the calibration efficiency is rapidly improved and the working cycle is reduced; it is more standardized and process-oriented, and the requirements for the professional quality of simulation calibration engineers are reduced, which can solve the problem of differences in calibration results due to differences in experience of calibration engineers.

[0049] According to another aspect of the present invention, there is provided a calibration device for a fuel cell electrochemical simulation model, comprising:

[0050] The battery operation process determination unit is used to determine the calibration parameters under the three major losses based on the fact that the operating voltage of the battery under different current densities is mainly determined by the activation voltage loss, the ohmic voltage loss and the concentration voltage loss;

[0051] The operation parameter simulation calculation unit is used to perform the first round of simulation calculation according to the initial default parameters. The polarization curve obtained by simulation is compared with the polarization curve of the experimental test, and the difference between the two is analyzed;

[0052] An activation voltage loss calibration unit, used to calibrate the curvature and displacement of the activation voltage loss by adjusting the charge transfer coefficient and the reference exchange current density;

[0053] An ohmic voltage loss calibration unit, used to calibrate the slope of the ohmic voltage loss by adjusting the reference ion conductivity of the proton exchange membrane;

[0054] A concentration voltage loss calibration unit, used to calibrate the curvature of the concentration voltage loss by adjusting the curvature of the gas diffusion layer;

[0055] The joint deviation calibration unit is used to complete the calibration of the final polarization curve by fine-tuning the reference ion conductivity and the curvature in sequence when the ohmic voltage loss is deviated due to the adjustment of the curvature.

[0056] According to another aspect of the present invention, there is provided a computer device, comprising a memory and a processor, wherein the memory stores a computer program, and the processor implements the steps of the above-mentioned calibration method when executing the computer program.

[0057] According to another aspect of the present invention, there is provided a computer-readable storage medium having a computer program stored thereon, and when the computer program is executed by a processor, the steps of the above-mentioned calibration method are implemented.

[0058] The above-mentioned embodiments only express several implementation methods of the present invention, and the description thereof is relatively specific and detailed, but it cannot be understood as limiting the scope of the present invention. It should be pointed out that, for a person of ordinary skill in the art, several variations and improvements can be made without departing from the concept of the present invention, and these all belong to the protection scope of the present invention. Therefore, the protection scope of the present invention shall be subject to the attached claims.

Claims

1. A method for calibrating a fuel cell electrochemical simulation model, characterized in that: According to the working principle of fuel cells, the operating voltage at different current densities is mainly determined by three major losses, namely activation voltage loss, ohmic voltage loss and concentration voltage loss; Perform the first round of simulation calculations based on the initial default parameters; According to the calibration parameters of each of the three major losses, the activation voltage loss calibration, ohmic voltage loss calibration and concentration voltage loss calibration are performed respectively. Between the voltage loss calibration steps in any order, the deviation of the voltage loss calibration steps in the former order caused by the voltage loss calibration steps in the latter order is iterated by fine-tuning the corresponding calibration parameters in sequence to complete the calibration of the final polarization curve.

2. The calibration method according to claim 1, characterized in that: The calibration parameters corresponding to the activation voltage loss are selected from reference exchange current density and charge transfer coefficient; and / or, the calibration parameters corresponding to the ohmic voltage loss are selected from reference ion conductivity; And / or, the calibration parameter corresponding to the concentration voltage loss is the curvature of the gas diffusion layer.

3. The calibration method according to claim 2, characterized in that: The specific steps of the activation voltage loss calibration are: changing the curvature of the activation voltage loss part of the polarization curve by adjusting the charge transfer coefficient; at the same time, adjusting the reference exchange current density to shift the position of the activation voltage loss part of the polarization curve so that the simulated activation voltage loss is consistent with the experimental test result; and / or, The specific steps of the ohmic voltage loss calibration are: changing the slope of the ohmic voltage loss part of the polarization curve by adjusting the reference ion conductivity of the proton exchange membrane so that the simulated ohmic voltage loss is consistent with the experimental test result; and / or, The specific steps of the concentration voltage loss calibration are: changing the curvature of the concentration voltage loss part of the polarization curve by adjusting the curvature of the gas diffusion layer, so that the simulated concentration voltage loss is consistent with the experimental test result.

4. The calibration method according to claim 3, characterized in that: The error of the activation voltage loss calibration is within 2%; the error of the ohmic voltage loss calibration is within 2%; the error of the concentration voltage loss calibration is within 2%; and the calibration accuracy of the polarization curve is within 2%.

5. The calibration method according to claim 3, characterized in that: When the concentration voltage loss calibration process causes a deviation in the ohmic voltage loss calibration process, the reference ion conductivity and curvature are fine-tuned in sequence and iterated multiple times to complete the calibration of the final polarization curve.

6. The calibration method according to claim 1, characterized in that: The step of performing the first round of simulation calculation based on the initial default parameters also includes: The polarization curve obtained by simulation is compared with the polarization curve of experimental test, and the difference between the two is analyzed.

7. A calibration device for a fuel cell electrochemical simulation model, characterized in that: include: The battery operation process determination unit is used to determine the calibration parameters under the three major losses based on the fact that the operating voltage of the battery under different current densities is mainly determined by the activation voltage loss, the ohmic voltage loss and the concentration voltage loss; The operation parameter simulation calculation unit is used to perform the first round of simulation calculation according to the initial default parameters, compare the polarization curve obtained by simulation with the polarization curve tested by experiment, and analyze the difference between the two; The pressure loss calibration unit is used to perform activation voltage loss calibration, ohmic voltage loss calibration and concentration voltage loss calibration according to the calibration parameters of the three major losses; The joint deviation calibration unit is used for voltage loss calibration in any order. The deviation of the calibration process in the former order caused by the calibration process in the latter order is iterated by fine-tuning the corresponding calibration parameters in sequence to complete the calibration of the final polarization curve.

8. The calibration device according to claim 7, characterized in that: The pressure loss calibration unit specifically includes: An activation voltage loss calibration unit, used to calibrate the curvature and displacement of the activation voltage loss by adjusting the charge transfer coefficient and the reference exchange current density; An ohmic voltage loss calibration unit, used to calibrate the slope of the ohmic voltage loss by adjusting the reference ion conductivity of the proton exchange membrane; The concentration voltage loss calibration unit is used to calibrate the curvature of the concentration voltage loss by adjusting the curvature of the gas diffusion layer.

9. A computer device comprising a memory and a processor, wherein the memory stores a computer program, wherein: When the processor executes the computer program, the steps of the calibration method according to any one of claims 1 to 6 are implemented.

10. A computer-readable storage medium having a computer program stored thereon, characterized in that: When the computer program is executed by a processor, the steps of the calibration method according to any one of claims 1 to 6 are implemented.

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