Detection structure and determination method for gas component and gas production rate thereof

Abstract

The embodiment of the invention provides a gas component and gas production rate detection structure and determination method, and belongs to the field of gas detection. The detection structure comprises a sample gas production part, a carrier gas system between the sample gas production part and the carrier gas system, a shunting port behind the sample gas production part, a gas component detection part separated from the shunting port, a tail gas part and at least two flow monitoring parts, the first flow monitoring component is located between the shunting port and the gas component detection component and used for detecting or controlling the first flow speed of the first branch gas, and the second flow monitoring component is located between the sample gas production component and the carrier gas system or between the sample gas production component and the tail gas component and used for detecting or controlling the flow speed of the introduced gas. According to the invention, the problem that the current gas production detection system cannot detect and / or accurately solve gas components in real time under complex working conditions can be solved, and quantitative contrastive analysis among gases of different samples can be realized.

Description

Technical Field

[0001] The present invention relates to the technical field of gas detection, and in particular to a detection structure and a determination method for gas components and gas production rates thereof. Background Art

[0002] With the rapid development of new energy, chemical industry, environmental protection and other fields, the demand for monitoring and analysis of gas generation processes is increasing. Gas collection, quantification and composition analysis equipment plays an important role in many key areas, especially in battery research and development, industrial safety, environmental monitoring and scientific research. Gas production testing has become a core link in evaluating material performance, ensuring safe operation and optimizing processes. Among them, gas production is an important part of the research and development process of materials and systems (including but not limited to batteries, chemical materials, reaction cells, etc.). The gas production process is usually continuous, and the gas production rate and gas products also change in real time. Therefore, a detection device can apply different gas production conditions to the sample and detect the composition of the gas products and the gas production rate of each gas component in real time, which is of great significance to material research and development and product testing.

[0003] Currently, there are two main methods for gas detection: offline and online. The offline method involves collecting part of the sample gas using a gas collection bag or gas sampling needle at a certain stage of the sample's gas production (such as during or after gas production) or multiple stages of the process. The online method involves connecting the sample to the gas detection equipment, and the sample passes through the gas detection equipment after production, without the need for intermediate collection using a gas collection bag or gas sampling needle.

[0004] However, offline gas detection equipment requires multiple sampling, which requires manual or mechanical collection and storage, and secondary extraction according to the requirements of the gas detection equipment. This is cumbersome and requires storage space for multiple gas samples. While online mass spectrometry can produce quantitative or semi-quantitative results, these are still quantitative data that enter the mass spectrometry section and can only be used to compare the gas production relationships of different gases for that sample, and cannot be used for horizontal comparisons between samples. In addition, if the sample is subjected to variable temperature testing, such as low temperature or heating, the temperature of the gas generated by the sample will also change. The expansion / contraction of the gas caused by temperature changes will directly affect the quantitative results output by the mass spectrometer, leading to detection errors. Summary of the Invention

[0005] The purpose of the embodiments of the present invention is to provide a detection structure and determination method for gas composition and its gas production rate. The detection structure solves the problem that the current gas production detection system is unable to detect and / or accurately solve the gas composition in real time under complex working conditions, and realizes quantitative comparative analysis between gases of different samples.

[0006] In order to achieve the above-mentioned purpose, on the one hand, an embodiment of the present invention provides a detection structure for gas composition and its gas production rate, wherein the detection structure includes: a sample gas producing component, a carrier gas system between the sample gas producing component and the carrier gas system, a diversion port after the sample gas producing component, and a gas component detection component and an exhaust gas component separated from the diversion port, wherein the sample gas producing component produces a first gas, the carrier gas system outputs a second gas and purges the sample gas producing component so that the sample gas producing component outputs a third gas containing the first gas and the second gas, and the diversion port diverts the third gas into a first branch gas and a second branch gas And they lead to the gas composition detection component and the exhaust gas component respectively, the gas composition detection component receives the first branch gas and performs gas composition detection on it to obtain various gas detection values of the sample, and the exhaust gas component discharges the second branch gas; wherein, the detection structure also includes at least two flow monitoring components, the first flow monitoring component is located between the diversion port and the gas composition detection component, and is used to detect or control the first flow rate of the first branch gas, and the second flow monitoring component is located between the sample gas production component and the carrier gas system or between the sample gas production component and the exhaust gas component, and is used to detect or control the flow rate of the incoming gas.

[0007] On the other hand, the present invention provides a method for determining gas components and their gas production rates, which is applied to a gas detection structure, wherein the gas detection structure includes: a sample gas producing component, a carrier gas system between the sample gas producing component and the carrier gas system, a diversion port after the sample gas producing component, and a gas component detection component and an exhaust gas component separated from the diversion port. The determination method includes: obtaining various gas detection values of the sample of the first branch gas diverted from the diversion port through the gas component detection component; detecting the first temperature of the first branch gas and detecting and controlling the first flow rate of the first branch gas through a first flow monitoring component located between the diversion port and the gas component detection component; detecting the second temperature of the incoming gas and detecting or controlling the second flow rate of the incoming gas through a second flow monitoring component located between the sample gas producing component and the carrier gas system or between the sample gas producing component and the exhaust gas component; and determining the various gas types and various gas production flow rates of the first gas produced by the sample gas producing component based on the various gas detection values of the sample, the first temperature, the first flow rate, the second temperature and the second flow rate.

[0008] Another aspect of the present invention provides a machine-readable storage medium having instructions stored thereon, the instructions being used to enable a machine to execute: the method for determining the gas composition and the gas production rate thereof as described above.

[0009] Another aspect of the present invention provides a processor for running a program, wherein the program, when run, is used to execute: the method for determining gas composition and gas production rate thereof as described above.

[0010] Another aspect of the present invention provides a computer program product, comprising a computer program, which, when executed by a processor, implements: the method for determining the gas composition and the gas production rate thereof as described above.

[0011] Through the above-mentioned technical solution, the present invention's gas composition and gas production rate detection structure solves the problem of current gas production detection systems being unable to detect and accurately determine gas composition in real time under complex operating conditions, enabling quantitative comparative analysis between gases from different samples. Furthermore, the present invention's method for determining gas composition and gas production rate also addresses the issue of deviations in gas detection results caused by volume changes due to temperature fluctuations, unifying the temperature benchmark for horizontal comparisons between samples and data, laying the foundation for standardized evaluation.

[0012] Other features and advantages of the embodiments of the present invention will be described in detail in the subsequent detailed description. BRIEF DESCRIPTION OF THE DRAWINGS

[0013] The accompanying drawings are used to provide a further understanding of the embodiments of the present invention and constitute a part of the specification. Together with the following detailed description, they are used to explain the embodiments of the present invention, but do not constitute a limitation of the embodiments of the present invention. In the accompanying drawings:

[0014] Figure 1 It is a schematic diagram of the DEMS gas circuit principle in the prior art.

[0015] Figure 2 Schematic diagram of a detection structure for gas composition and gas production rate provided by an embodiment of the present invention.

[0016] Figure 3 It is a flow chart of a method for determining gas composition and its gas production rate provided by an embodiment of the present invention. DETAILED DESCRIPTION

[0017] The following describes the specific implementation of the embodiment of the present invention in detail with reference to the accompanying drawings. It should be understood that the specific implementation described herein is only used to illustrate and explain the embodiment of the present invention and is not used to limit the embodiment of the present invention.

[0018] It should be noted that the acquisition, transmission, storage, use, and processing of data in the technical solution of this application are in compliance with the relevant provisions of laws and regulations. In the embodiments of this application, certain software, components, models, and other existing solutions in the industry may be mentioned. These should be considered as exemplary. Their purpose is only to illustrate the feasibility of implementing the technical solution of this application, but it does not mean that the applicant has or will necessarily use such solutions.

[0019] Before introducing the various embodiments of the present invention, a brief description of the existing technical solutions is first given.

[0020] The off-line technical solution of the prior art one is: at a certain stage of sample gas production (such as during gas production, after gas production) or multiple process stages, use a gas collection bag, a gas sampling needle, etc. to collect part of the sample gas. Then, the sample gas is passed through a mass spectrometer (MS), a gas chromatograph (GC), a gas chromatograph combined with a mass spectrometer (GC-MS), or an infrared spectrometer (FTIR) and other gas-specific detection equipment to obtain the composition of the sample gas. Among them, the mass spectrometer (MS), the gas chromatograph (GC), the gas chromatograph combined with a mass spectrometer (GC-MS) can also achieve quantitative or semi-quantitative analysis of each gas component. The inventors found that the shortcomings of the above-mentioned prior art one include:

[0021] 1) Offline gas detection equipment needs to be cleaned and adjusted before each test, and then the sampling action is completed, resulting in a longer detection time.

[0022] 2) Multiple sampling requires manual or mechanical collection and storage, and secondary extraction according to the requirements of the gas detection equipment. The operation is cumbersome, and the storage of multiple gas samples takes up space.

[0023] 3) Offline gas sampling is the accumulation of the sample during the gas production process. If there are too few sampling points, the real-time gas production recording requirements cannot be met.

[0024] 4) After a large amount of accumulated gas is accumulated, it may further undergo side reactions under the storage environment (such as high temperature, high pressure, etc.). For example, carbon monoxide (CO) will be oxidized to carbon dioxide (CO2) in the presence of more oxygen (O2), causing the original results of the sample to change and adding new by-product gases.

[0025] 5) Currently, most gas detection equipment does not have a fully quantitative function. Even if it can be quantified, the result only represents the amount of the equipment input part and cannot reflect the specific gas production of the sample. The output result is of limited help to research and development.

[0026] The online technical solution of the second existing technology is: connect the sample with the gas detection equipment, and the sample will pass through the gas detection equipment after producing gas, without the need to use body collection bags, gas sampling needles, etc. for intermediate process collection. The gas detection equipment matched with it usually has a higher sampling frequency and faster detection speed, such as a mass spectrometer (MS). The more common one is DEMS (Differential Electrochemical Mass Spectrometry), which is used for real-time monitoring of gas production of samples such as buckles and soft packs during the charging and discharging process, and uses mass spectrometry to quickly test the gas. Among them, the DEMS architecture and gas purge logic are as follows: Figure 1 As shown, carrier gas (such as argon Ar) is purged at a "carrier gas flow rate" (V1, fixed value). The carrier gas is split into two paths before the battery sample. Flow V1' enters the battery fixture, mixes with the battery product gas X and volatile gases, and then flows out of the battery fixture. Flow V1" is diverted from a bypass path and merges with the mixed gas at the battery sample outlet. It enters a cold trap to remove volatile liquids and produce a mixture of carrier gas V1 and battery product gas X. A mass spectrometer extracts V2 (fixed value) from the mixed gas and feeds it into the mass spectrometer, obtaining the output results (quantitative / semi-quantitative) for each gas. The remaining gas is discharged as waste (V1 + X - V2). The inventors have discovered that the shortcomings of the above-mentioned prior art II include:

[0027] 1) Although online mass spectrometry can produce quantitative or semi-quantitative results, these are still quantitative data that enter the mass spectrometry section. Since the battery gas production X is variable, the value of X cannot be solved based on known V1 and V2.

[0028] 2) The mass spectrometry result is only a small part of the mixed gas formed by the carrier gas + sample gas, which can be understood as a concentration ratio. It can only be used to compare the relationship between the gas production of different gases for this sample and cannot be used for horizontal comparison between samples.

[0029] 3) If the sample is subjected to variable temperature testing, such as low temperature or heating, the gas generated by the sample will also change in temperature. Based on Charles' law or Gay-Lussac's law, when the pressure is constant, the volume of an ideal gas is proportional to the thermodynamic temperature, that is, high temperature / low temperature will cause the gas to expand / contract. If the pressure and the amount of substance remain unchanged, the volume V should be proportional to the temperature T. At this time, the expansion multiple should only depend on the change in temperature and has nothing to do with the type of gas. The V2 entering the mass spectrometer is a fixed value, which is strongly related to the temperature of the gas production at that time. If the temperature data is unknown, the expansion / contraction of the gas will directly affect the quantitative results output by the mass spectrometer. For example, if the gas production rate remains unchanged and only the temperature changes, the amount of each gas calculated based on the mass spectrometer results and the flow rate V2 will also change, resulting in errors. Temperature data needs to be added to correct the gas volume.

[0030] It can be seen that the existing technology has the following technical problems: the existing gas production detection system cannot detect gas in real time under complex working conditions (such as heating conditions); the existing gas production detection system cannot accurately solve the real-time gas production results of the sample; the results of the existing gas production detection system cannot be quantitatively compared and analyzed between different samples; the existing gas production detection system does not take into account the deviation of gas detection results caused by volume changes caused by temperature changes.

[0031] Device embodiment

[0032] In order to solve the above technical problems, the present invention first provides a detection structure for gas composition and gas production rate, such as Figure 2 As shown, the detection structure of the present invention may include: a sample gas generating component, a carrier gas system between the sample gas generating component and the carrier gas system, a diversion port after the sample gas generating component, and a gas component detection component and an exhaust gas component separated from the diversion port.

[0033] The sample gas-generating component is the component that generates gas during sample operation and is used to produce the first gas. Samples include, but are not limited to, batteries and chemical materials. The sample gas-generating component is airtight to prevent gas from escaping from outside the pipeline. It provides a designated operating environment for the sample, including, but not limited to, charging, discharging, and heating. It also provides relative protection for the sample, such as corrosion resistance and insulation.

[0034] The carrier gas system delivers the second gas and purges the sample gas-producing component, causing it to deliver a third gas composed of the first and second gases. Specifically, the carrier gas system provides stable purge throughout the entire gas path, ensuring efficient flow of gas and volatile substances from the sample gas-producing component without clogging. Preferred carrier gases include helium and argon, which are non-reactive with the sample and have minimal impact on gas production due to molecular fragmentation.

[0035] Among them, the diversion port diverts the third gas into a first branch gas and a second branch gas, and respectively leads the first branch gas to the gas composition detection component and the second branch gas to the tail gas component. The gas composition detection component receives the first branch gas and performs gas composition detection on it to obtain various gas detection values of the sample. Specifically, the gas composition detection component extracts a certain amount of mixed gas (which can be the third gas or the mixed gas after removing the liquid from the third gas) at a specified flow rate (less than or equal to the carrier gas purge flow rate), performs gas composition analysis, and outputs the content, flow rate or concentration of each gas. The tail gas component discharges the second branch gas, that is, the tail gas component is a collection, discharge, and post-processing component for the remaining mixed gas after removing the gas entering the gas composition detection component.

[0036] The detection structure may further include at least two flow monitoring components distributed at different points. The setting points and number of the flow monitoring components depend on the requirements of the specific gas calculation and quantification method. The flow monitoring component may include only a gas flow meter or a gas control valve, or may be composed of a thermometer and a gas flow meter, for example Figure 2 The flow monitoring component shown is a temperature-sensing flow meter, which contains a thermometer and flow monitoring components to determine the temperature and flow rate of the gas flowing through the location. If a fixed flow rate is required at this point, the gas flow meter in the flow monitoring component can be replaced with a gas control valve to control the gas flow rate based on the valve opening.

[0037] like Figure 2 As shown, the first flow monitoring component can be a temperature-sensitive flowmeter 4, located between the branch port and the gas composition detection component, for detecting a first temperature of the first branch gas and detecting or controlling a first flow rate of the first branch gas. Specifically, the temperature-sensitive flowmeter 4, located between the branch port and the gas composition detection component, is used to detect the temperature of a portion of the mixed gas in the third gas entering the gas composition detection component, and simultaneously detect or control the rate at which the mixed gas enters the gas composition detection component.

[0038] like Figure 2 As shown, the second flow monitoring component can be at least one of the temperature-sensitive flowmeters 1, 2, 3, and 5, which is located between the sample gas-producing component and the carrier gas system or between the sample gas-producing component and the exhaust gas component, and is used to detect the temperature of the incoming gas and detect or control the flow rate of the incoming gas. In one embodiment, the first flow monitoring component may include: a thermometer and a gas control valve, such as a temperature-sensitive flowmeter 4. In the case where the second flow monitoring component is located between the sample gas-producing component and the carrier gas system, the second flow monitoring component may include: a thermometer and a gas control valve, such as a temperature-sensitive flowmeter 1; or in the case where the second flow monitoring component is located between the sample gas-producing component and the exhaust gas component, that is, between the carrier gas system and the diversion port or between the diversion port and the exhaust gas removal component, the second flow monitoring component may include: a thermometer and a gas flowmeter, such as a temperature-sensitive flowmeter 2, 3, or 5. The following is a description through three embodiments:

[0039] In the first embodiment, the second flow monitoring component is a temperature-sensitive flowmeter 1, located between the sample gas production component and the carrier gas system, for detecting the second temperature of the second gas and controlling the second flow rate of the second gas. In this case, the detection structure of the present invention may also include a data processing module for determining the gas types and gas production rates of the first gas based on the various gas detection values of the sample, the first temperature, the first flow rate, the second temperature, and the second flow rate.

[0040] In the second embodiment, the second flow monitoring component is a temperature-sensitive flowmeter 5, which is located between the diversion port and the tail gas component and is used to detect the third temperature and third flow rate of the second branch gas. That is, the temperature-sensitive flowmeter 5 is located between the sample liquid removal component and the tail gas component and is used to detect the temperature and flow rate of other gases that need to be discharged (second branch gas) other than those entering the gas component detection component. In this case, the data processing module can also be used to determine the various gas types and various gas production flow rates of the first gas based on the various gas detection values of the sample, the first temperature, the first flow rate, the third temperature and the third flow rate.

[0041] In a third embodiment, a second flow monitoring component is located between the sample gas generating component and the diversion port and is configured to detect a fourth temperature and a fourth flow rate of the third gas. In this case, the data processing module can also be configured to determine the gas types and flow rates of the first gas based on the sample gas detection values, the fourth flow rate, and the fourth temperature.

[0042] In one embodiment, the detection structure may further include a filtering component, which may also be referred to as a liquid removal component, such as Figure 2 As shown, the liquid removal component is located between the sample gas generator and the diversion port and is used to filter liquid from the third gas. The liquid removal component removes the liquid portion of the mixed gas flowing out of the sample gas generator. Liquids can affect mass spectrometry results or cause clogging, such as electrolytes and solvents. Specific removal methods include, but are not limited to, condensation and adsorption.

[0043] The second flow monitoring component is a temperature-sensitive flowmeter 2, which is located between the sample gas production component and the filter component; or the second flow monitoring component is a temperature-sensitive flowmeter 3, which is located between the filter component and the diversion port. That is, the temperature-sensitive flowmeter 2 is located between the sample gas production component and the liquid removal component, and is used to detect the temperature and flow rate of the mixed gas (third gas) composed of the sample gas production and the carrier gas. The temperature-sensitive flowmeter 3 is located after the liquid removal component and before the gas composition detection component and the exhaust component, and is used to detect the temperature and flow rate of the mixed gas (third gas) after the liquid is removed.

[0044] In summary, the present invention discloses a gas composition and gas production rate test structure, in which "flow monitoring components" are arranged at different component points. It can be combined with the corresponding data processing method of the data processing module (including the gas composition and gas production rate calculation method based on carrier gas and the gas composition and gas production rate calculation method based on multiple flow meters, as described in detail below) to solve the problem that the current gas production detection system cannot detect gas in real time under complex working conditions (such as heating), the problem that the current gas production detection system cannot accurately solve the real-time gas production results of the sample, and the problem that the results of the current gas production detection system cannot be quantitatively compared and analyzed between different samples.

[0045] In one embodiment, the gas composition detection component is a mass spectrometer device (such as a mass spectrometer, etc.) for real-time detection of gas production, and has the following characteristics: the detection target (such as gas, etc.) corresponds to multiple or multiple detection result distributions (such as mass-to-nuclear ratio-intensity, etc.); the detection target has a fixed correspondence with the detection target and does not change with the test conditions; the qualitative and quantitative methods of the current detection target only select some characteristic detection results. The working principle of the mass spectrometer is that after the mixed gas enters the mass spectrometer, it will be ionized into gas fragments, and different fragments have different mass-to-nuclear ratios. The mass spectrometer outputs electrical signals of different mass-to-nuclear ratios, or further converts them into data such as concentration (ppm). Therefore, when a type of gas enters the mass spectrometer, it will respond at one or more mass-to-nuclear ratios. Therefore, the gas composition detection component can also be used to: perform gas composition detection on the first branch gas in a manner that outputs a characteristic mass-to-nuclear ratio or an optimal solution result of the mass-to-nuclear ratio to obtain various gas detection values of the sample.

[0046] Among them, the method of outputting characteristic mass-to-nuclear ratios belongs to conventional mass spectrometry detection methods. Because different gases may respond to the same mass-to-nuclear ratio, the current mass spectrometry gas result analysis method avoids overlapping mass-to-nuclear ratios and selects characteristic mass-to-nuclear ratio data (i.e., the mass-to-nuclear ratio data with the highest probability of occurrence) as the result for that gas. However, the inventors have found that when the gas mixture is complex, there will be a large number of non-characteristic mass-to-nuclear ratio fragments of certain gases, which will overlap in the mass spectrometry signal, affecting the results obtained by other methods using the corresponding mass-to-nuclear ratio as the characteristic. For example, if methane CH4 uses a characteristic mass-to-nuclear ratio of 15, ethane C2H6 will also produce a mass-to-nuclear ratio of 15, which will cause errors in the methane calculation.

[0047] In order to increase the analysis accuracy of the gas composition detection component, in one embodiment, the present invention further discloses a gas composition estimation method based on a mass spectrometry fragmentation molecule library and mathematical optimization. The gas composition detection component in the gas composition and gas production rate test structure can use this method to output the optimal solution result of the mass-to-nuclear ratio. The method may specifically include the following steps:

[0048] 1) Obtain the detection result distribution of the first branch gas at various mass-to-nuclear ratios.

[0049] The gas component detection component is, for example, a mass spectrometer, and the detection results obtained at each mass-to-nuclear ratio are gas component detection component results Bi (i=1, 2, 3...). For example, when there are 16 distribution patterns of mass-to-nuclear ratios, the mass spectrometer detection results are: B1=16.16, B2=37.1, B3=87.12, B4=257.4, B5=250.56, B6=3.6, B7=16.28, B8=51.48, B9=174.44, B10=251.2, B11=540, B12=9.9, B13=0.28, B14=90, B15=0.12, and B16=0.44.

[0050] 2) Based on the established gas molecule fragmentation database, determine the sub-item quantitative value of each gas under any defined composition ratio.

[0051] Specifically, a "gas molecular fragmentation database" based on mass spectrometry gas detection can be established. This database includes the "mass-to-nuclear ratio" of molecular fragments that can be formed by each gas in a certain mass-to-nuclear ratio range (preferably 1-100) in a unified quantitative unit (such as volume, mole, etc.), and its "mass spectrometry quantification value" (such as probability, intensity, concentration, etc.). As shown in Table 1 below:

[0052] Table 1 Examples of some gas molecule fragments

[0053] gas <![CDATA[O2]]> CO <![CDATA[CH4]]> <![CDATA[C2H4]]> Estimated value A1 A2 A3 A4 Mass-to-nuclear ratio 32 28 16 28 Mass spectrometry quantification value 100 100 100 100 Mass-to-nuclear ratio 16 12 15 27 Mass spectrometry quantification value 11.4 4.5 85.8 62.8 Mass-to-nuclear ratio 34 29 14 26 Mass spectrometry quantification value 0.4 1.1 15.6 62.3 Mass-to-nuclear ratio 33 16 13 25 Mass spectrometry quantification value 0.1 0.9 7.7 11.7 Mass-to-nuclear ratio 14 12 14 Mass spectrometry quantification value 0.3 2.4 6.3 Mass-to-nuclear ratio 30 17 24 Mass spectrometry quantification value 0.2 1.2 3.7 Mass-to-nuclear ratio 13 Mass spectrometry quantification value 3.5 Mass-to-nuclear ratio 29 Mass spectrometry quantification value 2.2 Mass-to-nuclear ratio 12 Mass spectrometry quantification value 1

[0054] Then, for each gas in the "Gas Molecular Fragmentation Database," we arbitrarily set an "estimated value" Ai (i = 1, 2, 3...), such as O2 = A1, CO = A2, CH4 = A3, C2H4 = A4, etc. The above i values are only for the convenience of case description and can actually be based on the database order.

[0055] Because each gas corresponds to one or more mass-to-nuclear ratios, the "Mass Spectrum Quantification Value" for each mass-to-nuclear ratio needs to be multiplied by the set "Estimated Value" Ai to obtain the "Gas Sub-Item Quantification Value" for that gas at the corresponding mass-to-nuclear ratio. For example, if the "Mass Spectrum Quantification Value" for O2 at a mass-to-nuclear ratio of 32 is 100, and the "Mass Spectrum Quantification Value" for O2 at a mass-to-nuclear ratio of 16 is 11.4, then the "Gas Sub-Item Quantification Value" for O2 at a mass-to-nuclear ratio of 32 is A1*100, and the "Gas Sub-Item Quantification Value" for O2 at a mass-to-nuclear ratio of 16 is A1*11.4. Similarly, by multiplying the "Mass Spectrum Quantification Value" by the estimated value for all gases in the database, the sub-item quantification value for each gas is obtained.

[0056] 3) Taking the minimization of the deviation between the sum of the superposition of the gas sub-item quantitative values and the distribution of the detection results as the optimization goal, the target component ratio of each gas is determined.

[0057] In this step, the "gas itemized quantified values" of all involved mass-to-nuclear ratios must be superimposed and summed to obtain the "sum of superimposed quantified values." For example, as shown in Table 2, A1 can be randomly defined as 1, A2 as 3, A3 as 3, and A4 as 4. For mass-to-nuclear ratio 12 involving CO, CH4, and C2H4, the "sum of superimposed quantified values" for mass-to-nuclear ratio 12 is: A2*4.5+A3*2.4+A4*1. The theoretical value of B1 calculated based on the assumed values of A1-A4 is 20.2. The same applies to other involved mass-to-nuclear ratios, completing the superimposed calculation of the itemized quantified values for all distributions.

[0058] Table 2 Deviation calculation of the sum of the superposition of gas sub-item quantitative values and the distribution of detection results

[0059]

[0060] Next, the "sum of the summed quantified values" of all relevant mass-to-nuclear ratios is compared with the "gas composition detection component results" Bi (i = 1, 2, 3, ...), and the deviation between the two is calculated. It is understood that there must be an optimal solution that minimizes the deviation between the sum of the summed quantified values of the gas components and the distribution of the detection results. Furthermore, a corresponding algorithm can be used to calculate the optimal solution for the "estimated value" Ai for each gas setting.

[0061] In one embodiment, a best fit algorithm, least squares method, ridge regression method, Lasso regression method, or LM method (Levenberg-Marquardt method) can be used to determine the target component ratio (i.e., the optimal solution) for each gas, so as to minimize the deviation between the sum of the gas sub-item quantization values and the distribution of the detection results. As shown in Table 2, A1 = 0.9, A2 = 1.4, A3 = 3, and A4 = 4 are the optimal solutions for all gases at all sampling points. The deviation of the optimal solution is also calculated.

[0062] 4) The target component ratio is used as the detection value of various gases in the sample.

[0063] That is, through the above steps, the optimal solutions A1=0.9, A2=1.4, A3=3, and A4=4 are obtained as the "optimal solution quantization results" of each gas when using this method, and the resulting composition ratio of O2, CO, CH4, and C2H4 is 0.9:1.4:3:4.

[0064] In summary, the present invention provides a gas composition estimation method based on a mass spectrum fragment molecule library and mathematical optimization, establishes a "gas molecule fragment database", uses the "mass spectrum quantization value" and the set "estimated value" to solve the "mass spectrum quantization value superposition sum", corresponds to the "gas component detection component result" and uses the optimal fitting algorithm to solve the "optimal solution quantization result". It can be seen that the present invention calculates the "optimal solution quantization result" according to the distribution law of product molecular fragments, realizes the data decoupling of the problem of superposition of fragments of multiple substances, and for relatively complex scenarios of mixed gases (such as thermal runaway gas production of batteries), the quantification accuracy of carbon monoxide, carbon dioxide, oxygen and various alkanes and alkenes can be improved by 10% to 20% compared with the characteristic mass-to-nuclear ratio method used in the prior art. Therefore, the present invention can solve the problem of using mass spectrometry to detect mixed gases, the mass-to-nuclear ratios of different gas molecular fragments are coupled and superimposed, and it is impossible to accurately disassemble and obtain accurate results for each gas.

[0065] Method Example

[0066] On the other hand, the present invention also discloses a method for determining gas composition and gas production rate, which is applied to Figure 2 The gas detection structure shown in the figure may include: a sample gas generating component, a carrier gas system between the sample gas generating component and the carrier gas system, a diversion port after the sample gas generating component, and a gas component detection component separated from the diversion port. Figure 3 As shown, the determination method of the present invention may include steps S210-S240:

[0067] In step S210 , various gas detection values of the sample of the first branch gas branched from the branch port are obtained through the gas component detection component.

[0068] Among them, the concentration coefficient of each gas can be determined according to the various gas detection values of the sample. In one embodiment, the gas composition detection of the first branch gas can be performed in a manner of outputting the characteristic mass-to-nuclear ratio or the optimal solution result of the mass-to-nuclear ratio to obtain the various gas detection values of the sample. In one embodiment, the specific method of outputting the optimal solution result of the mass-to-nuclear ratio can refer to the above-mentioned "A gas composition estimation method based on mass spectrum fragment molecule library and mathematical optimization", that is, including the following steps: 1) obtaining the detection result distribution of the first branch gas at various mass-to-nuclear ratios; 2) based on the established gas molecule fragment database, determining the sub-item quantified value of each gas at an arbitrarily defined composition ratio; 3) with the minimization of the deviation between the superposition sum of the gas sub-item quantified values and the detection result distribution as the optimization goal, determining the target composition ratio of each gas; 4) using the target composition ratio as the various gas detection value of the sample. For other details of the estimation method, please refer to the above description and will not be repeated here.

[0069] In step S220 , a first flow monitoring component located between the branch port and the gas composition detection component is used to detect a first temperature of the first branched gas and control a first flow rate of the first branched gas.

[0070] like Figure 2 As shown, the first flow monitoring component can be a temperature sensing flowmeter 4, located between the diversion port and the gas composition detection component, for detecting the first temperature of the first branch gas and detecting or controlling the first flow rate of the first branch gas.

[0071] Step S230 , detecting a second temperature of the incoming gas and detecting or controlling a second flow rate of the incoming gas through a second flow monitoring component located between the sample gas generating component and the carrier gas system or between the sample gas generating component and the exhaust gas component.

[0072] The second flow monitoring component can be a temperature sensing flowmeter 1, 2, 3 or 5, located between the sample gas production component and the carrier gas system or between the sample gas production component and the exhaust gas component, and is used to detect the temperature of the incoming gas and detect or control the flow rate of the incoming gas.

[0073] In one embodiment, the first flow monitoring component may include a thermometer and a gas control valve. If the second flow monitoring component is located between the sample gas generating component and the carrier gas system, the second flow monitoring component may include a thermometer and a gas control valve, such as temperature-sensitive flowmeter 1. Alternatively, if the second flow monitoring component is located between the sample gas generating component and the exhaust gas component, the second flow monitoring component may include a thermometer and a gas flow meter, such as temperature-sensitive flowmeter 2, 3, or 5. This will be described below using three separate embodiments.

[0074] Step S240 , determining various gas types and various gas production flow rates of the first gas produced by the sample gas producing component according to various gas detection values of the sample, the first temperature, the first flow rate, the second temperature and the second flow rate.

[0075] In the first embodiment, the present invention provides a method for calculating the gas composition and gas production rate based on a carrier gas. This method must include temperature-sensitive flowmeters 1 and 4. Specifically, the second flow monitoring component (temperature-sensitive flowmeter 1) detects the incoming gas, which is the second gas output by the carrier gas system. The second flow monitoring component is located between the sample gas production component and the carrier gas system (temperature-sensitive flowmeter 1) and is used to detect the second temperature of the second gas and control the second flow rate of the second gas.

[0076] In order to convert the qualitative and quantitative results of the gas component detection component into the qualitative and quantitative results of the sample gas production component, according to the ratio of the flow rate of the carrier gas entering the gas component detection component (temperature sensing flowmeter 4) and the carrier gas input flow rate (temperature sensing flowmeter 1), the flow rate results of each gas entering the gas component detection component are converted into the flow rate results of the sample gas production after removing the liquid according to the constant before and after the carrier gas. This method needs to ensure that the carrier gas will not be consumed or increased with the sample or by-product oxygen production throughout the pipeline. In this case, step S240 can include steps S241-S243:

[0077] Step S241, determining the concentration coefficient of each gas based on the detection values of various gases in the sample.

[0078] First, based on the gas composition estimation method based on mass spectrometry fragmentation molecule library and mathematical optimization provided above, the "quantitative results" C of each gas entering the gas composition detection component at different times can be obtained in the gas composition detection component. i For example, Ar is C0, O2 is C1, CO is C2, CH4 is C3, C2H4 is C4, etc. Then, sum up the "quantization results" of all gases to get the "quantization result sum" C sum . Such as C sum =C0+C1+C2+C3+C4. Then, the "quantification result" of each gas can be divided by the "total of quantitative results" to obtain the "concentration coefficient" D of each gas. i (Percentage, dimensionless). For example, Ar "concentration coefficient" D0=A0 / A sum , O2 "concentration coefficient" D1=A1 / A sum The same applies to other methods. In other words, the various gas detection values of the sample are converted into the concentration relationship of each gas in the gas component detection component, and it is assumed that the mixed gas in the pipeline meets this concentration. Since the calculation is based on the ratio of each gas, it is dimensionless.

[0079] Step S242, determining the normalized mass spectrometry flow rate of each gas at the reference temperature and the amplification factor for the second gas based on the concentration coefficient, the first flow rate, the first temperature, the second flow rate, and the second temperature. Step S242 may specifically include the following steps:

[0080] 1) Determine a normalized mass spectrometry flow rate of each gas at a reference temperature based on the first flow rate, the first temperature, and the concentration coefficient.

[0081] First, the concentration coefficient D of each gas i Multiply by the first flow rate result (V1) of "temperature flow meter 4" to obtain the "gas mass spectrometer flow rate" V2 of each gas entering the mass spectrometer iFor example, the Ar mass spectrometer flow rate V20 = D0 * V1, and the O2 mass spectrometer flow rate V21 = D1 * V1. Similarly, the concentration coefficient and the known flow rate are converted into the real-time flow rate of each gas entering the gas component detection component at the temperature T1 tested by the temperature-sensitive flowmeter 4.

[0082] Then, based on the temperature result "mass spectrometer temperature" T1 of "temperature flow meter 4", set the "reference temperature" T2, establish temperature-volume normalization, and set the "volume coefficient" α. If 25℃ is used as the reference temperature T2, its Kelvin temperature is 298.15K, and the volume coefficient α at this temperature is 1. For other temperature results T1, the volume coefficient should be calculated according to the following formula: α (T1) =(273.15+T1) / 298.15. Key characteristics of this formula include: for every 5°C increase in temperature, the volume expands by approximately 1.7% (for example, from 25°C to 30°C, the coefficient increases from 1.000 to 1.017); for every 5°C decrease in temperature, the volume contracts by approximately 1.6% (for example, from 25°C to 20°C, the coefficient decreases from 1.000 to 0.984). For example, the volume coefficient α at 100°C and 200°C is calculated to be 1.25 and 1.586. Both T1 and T2 are in degrees Celsius. The purpose of this normalization is to calculate the coefficient of volume change at different temperatures.

[0083] Finally, after completing the temperature-volume normalization setting, the "gas mass spectrometry flow rate" V2 of each gas at the first temperature T1 tested by the temperature-sensing flowmeter 4 and at the gas component detection component point is set. i Dividing by the volume coefficient α, we can get the "normalized mass spectrometry flow rate" V3 of each gas in the mixed gas at the reference temperature T2 of the gas component detection component. i (Also called normalized sample mass spectrometry flow rate).

[0084] 2) Determine a normalized carrier gas flow rate of the second gas at a reference temperature based on the second flow rate and the second temperature.

[0085] According to the second temperature result "carrier gas temperature" T3 and "reference temperature" T2 of "temperature sensitive flowmeter 1", the second flow rate result "carrier gas flow rate" V4 of "temperature sensitive flowmeter 1" is converted into "normalized carrier gas flow rate" V5 (also called normalized sample carrier gas flow rate) according to the volume coefficient α.

[0086] 3) Determine the amplification factor for the second gas based on the normalized carrier gas flow rate and the normalized mass spectrometry flow rate of the carrier gas in each gas.

[0087] Divide the "normalized carrier gas flow rate" V5 by the Ar "normalized mass spectrometer flow rate" V30 to calculate the "amplification factor" β of the carrier gas (second gas), that is, β = V5 / V30.

[0088] Step S243 : determining the decontaminated normalized sample gas production flow rate of each gas according to the amplification factor and the normalized mass spectrum flow rate of each gas at the reference temperature, to serve as the gas production flow rate of each first gas.

[0089] First, multiply the "normalized sample mass spectrometry flow rate" V3i by the "amplification factor" β to obtain the "normalized sample gas production flow rate after decontamination (carrier gas method)" V61i at the sample gas production component point at the "reference temperature" T2. For example, the "normalized sample gas production flow rate after decontamination (carrier gas method)" V611 of O2 is V21*β, and the same applies to the others. In other words, under the condition of a certain concentration, other gases are arranged to be amplified proportionally according to the amplification of the carrier gas. Among them, it can be understood that the "normalized sample gas production flow rate after decontamination (carrier gas method)" V610 of the carrier gas Ar is V20*β, which should be equal to the calculated "normalized carrier gas flow rate" V5, so the calculation result can be verified according to the Ar flow rate. The case is shown in Table 3 below.

[0090] Table 3 Gas production calculation process example

[0091]

[0092] In summary, according to the above algorithm, the "normalized sample gas flow rate after impurity removal (carrier gas method)" V61 of the sample gas production component at different times can be obtained. i Furthermore, to ensure data availability and remove individual abnormal points of fluctuation, data at multiple time points can be verified using a "filtering algorithm" (which may include but is not limited to linear filtering, nonlinear filtering, adaptive filtering, etc.). In one embodiment, the above-mentioned filtering algorithm can be executed by the data processing module in the detection structure of gas composition and gas production rate, that is, at multiple time points, data verification is performed using at least one of the following filtering algorithms: linear filtering, nonlinear filtering, adaptive filtering, etc.

[0093] In another embodiment, the present invention provides a method for calculating gas composition and its gas production rate based on multiple flow meters. Similar to the above-mentioned "a method for calculating gas composition and its gas production rate based on carrier gas", this method requires that the detection results of the gas composition detection component have the ability to qualitatively and quantitatively determine the detection target. Among them, this method includes a temperature-sensing flow meter 4. First, according to step S241 in the "a method for calculating gas composition and its gas production rate based on carrier gas", the "concentration coefficient" D of the mixed gas in the gas composition detection component is calculated. i ; Then, a second flow monitoring component (including a temperature sensing flow meter 2, 3 or 5) can be added to a point according to the following three forms to obtain the temperature T and flow rate V of the point.

[0094] In a second embodiment, the gas detection structure may further include an exhaust component branched from the diversion port, the incoming gas is the second branch gas diverted from the diversion port, and the second flow monitoring component is a temperature-sensitive flowmeter 5, which is located between the diversion port and the exhaust component, and is used to detect the second temperature and second flow rate of the second branch gas. That is, the temperature-sensitive flowmeter 5 is located between the sample liquid removal component and the exhaust component, and is used to detect the temperature and passing rate of other gases that need to be discharged except those entering the gas component detection component. In this case, the data processing module can also be used to determine the various gas types and various gas production flow rates of the first gas based on the various gas detection values of the sample, the first temperature, the first flow rate, the third temperature and the third flow rate.

[0095] In this case, step S240 may include step S241 and steps S244-S247:

[0096] Step S241, determining the concentration coefficient of each gas based on the detection values of various gases in the sample.

[0097] Referring to the above, first, in the gas component detection unit, the "quantified results" C of each gas entering the gas component detection component at different times are obtained. i , get the "concentration coefficient" D of each gas i .

[0098] Step S244 : determining a normalized mass spectrum total flow rate of the first branch gas at a reference temperature according to the first flow rate and the first temperature.

[0099] First, the corresponding "volume coefficient" α is obtained based on the "first temperature" T1 and "reference temperature" T2 of the temperature-sensitive flowmeter 4; then, based on the "volume coefficient" α, the "first flow rate" V1 of the temperature-sensitive flowmeter 4 is converted into the "normalized mass spectrometry total flow rate" V10.

[0100] Step S245 : determining a normalized total waste gas flow rate of the second branch gas at a reference temperature according to the second flow rate and the second temperature.

[0101] Secondly, the corresponding "volume coefficient" α is obtained based on the "second temperature" T5 and "reference temperature" T2 of the temperature-sensitive flowmeter 5; then, based on the "volume coefficient" α, the "second flow rate" V9 of the temperature-sensitive flowmeter 5 is converted into the "normalized total waste gas flow rate" V11.

[0102] Step S246 , determining the normalized total flow rate of the third gas outputted from the sample gas producing component at the reference temperature according to the normalized total flow rate of the mass spectrometer and the normalized total flow rate of the waste gas.

[0103] Next, the "normalized mass spectrometer total flow rate" V10 and the "normalized waste gas total flow rate" V11 are summed to obtain the "normalized sample gas total flow rate after impurity removal" V8, also known as the normalized total flow rate. In other words, the temperature-corrected total flow rate at the front end can be calculated based on the two split flows of mass spectrometry and exhaust gas, serving as the normalized total flow rate of the third gas at the reference temperature.

[0104] Step S247 : determining the decontaminated normalized sample gas production flow rate of each gas according to the concentration coefficient and the normalized total flow rate, to serve as the gas production flow rate of each first gas.

[0105] Finally, the “concentration coefficient” D of each gas i Multiply by the "normalized sample gas production total flow rate after impurities removal" V8 to get the "normalized sample gas production flow rate after impurities removal (flow method)" V62 for each gas. i .

[0106] In the third embodiment, the input gas is the third gas output by the sample gas producing component, and the second flow monitoring component is located between the sample gas producing component and the diversion port, and is used to detect the second temperature and second flow rate of the third gas. For example, the second flow monitoring component is a temperature-sensitive flowmeter 2, which is located between the sample gas producing component and the filter component, and is used to detect the temperature and flow rate of the mixed gas composed of the sample gas and the carrier gas; or the second flow monitoring component is a temperature-sensitive flowmeter 3, which is located between the filter component and the diversion port, and is used to detect the temperature and flow rate of the mixed gas after the liquid is removed. Then step S240 can also include step S241 and steps S248-S249:

[0107] Step S241, determining the concentration coefficient of each gas based on the detection values of various gases in the sample.

[0108] Referring to the above, first, in the gas component detection unit, the "quantified results" C of each gas entering the gas component detection component at different times are obtained. i , get the "concentration coefficient" D of each gas i .

[0109] Step S248: Determine a normalized total flow rate of the third gas at a reference temperature based on the second temperature and the second flow rate.

[0110] For the combination of temperature-sensitive flowmeter 4 and temperature-sensitive flowmeter 3, the "volume coefficient" α is first calculated based on the "second temperature" T4 and the "reference temperature" T2 of temperature-sensitive flowmeter 3. Then, based on the "volume coefficient" α, the "second flow rate" V7 of temperature-sensitive flowmeter 3 is converted to the "normalized total sample gas flow rate after impurity removal" V8. In other words, the flow rate of the mixed gas portion of the third gas after removing the liquid is first temperature-corrected.

[0111] For the combination of temperature-sensitive flowmeter 4 and temperature-sensitive flowmeter 2, the "volume coefficient" α is first calculated based on the "second temperature" T6 and the "reference temperature" T2 of temperature-sensitive flowmeter 2. Then, based on the "volume coefficient" α, the "second flow rate" V12 of temperature-sensitive flowmeter 2 is converted to the "normalized total sample gas flow rate before impurity removal" V13. In other words, the flow rate of the mixed gas portion of the third gas before liquid removal is first temperature-corrected.

[0112] Compared to the aforementioned combination of temperature-sensitive flowmeter 4 and temperature-sensitive flowmeter 3, the combination of temperature-sensitive flowmeter 4 and temperature-sensitive flowmeter 2 lacks the liquid removal component. Therefore, the difference between V8 and V13 lies in the normalized total sample gas flow rate before and after impurity removal. The inventors discovered that temperature-sensitive flowmeter 2 may pass evaporative solvents, which increases the excess flow rate and is difficult to reduce. Furthermore, some solvents may corrode temperature-sensitive flowmeter 2. Therefore, the detection effect of the combination of temperature-sensitive flowmeter 4 and temperature-sensitive flowmeter 2 is not as good as that of the combination with temperature-sensitive flowmeter 3.

[0113] Step S249 : determining the decontaminated normalized sample gas production flow rate of each gas according to the concentration coefficient and the normalized total flow rate, to serve as the gas production flow rate of each gas.

[0114] For the combination of temperature sensitive flowmeter 4 and temperature sensitive flowmeter 3, the “concentration coefficient” D of each gas is i Multiply by the "normalized sample gas production total flow rate after impurities removal" V8 to obtain the "normalized sample gas production flow rate after impurities removal (flow method)" V62 for each gas i That is, based on the corrected flow rate, each gas is divided according to the concentration coefficient calculated by mass spectrometry.

[0115] For the combination of temperature sensitive flowmeter 4 and temperature sensitive flowmeter 2, the concentration coefficient D of each gas is i Multiply by the "normalized sample gas production flow rate before impurity removal" V13 to obtain the "normalized sample gas production flow rate before impurity removal (flow method)" V63 for each gas i That is, based on the corrected flow rate, each gas is divided according to the concentration coefficient calculated by mass spectrometry.

[0116] According to the above, the inventors found that the following three methods have different accuracies, which are arranged from high to low as follows: the combination of temperature sensitive flowmeter 4 and temperature sensitive flowmeter 3 is preferred; the combination of temperature sensitive flowmeter 4 and temperature sensitive flowmeter 5 is second; and the combination of temperature sensitive flowmeter 4 and temperature sensitive flowmeter 2 is third.

[0117] As can be seen, the temperature calibration method provided by the present invention can solve the "volume coefficient" at the "reference temperature" for the second temperature measured by "different flow monitoring components," thereby performing temperature correction for different gas production rate calculation methods. This includes the second flow monitoring components based on different points in the above embodiment, which obtain the "normalized sample mass spectrometry flow rate," "normalized sample total gas production flow rate after impurity removal," or "normalized sample total gas production flow rate before impurity removal" as the respective gas production rates of the first gas.

[0118] Specifically, in the first aspect, the present invention provides a method for calculating gas composition and gas production rate based on carrier gas, which has a "temperature-sensitive flowmeter 1" and a "temperature-sensitive flowmeter 4". According to the "mass spectrometry quantification result", the "sum of quantification results", "concentration coefficient", "amplification factor" and "normalized sample gas production rate after decontamination (carrier gas method)" are solved as the gas production rates of the first gas.

[0119] In the second aspect, the present invention provides a method for calculating gas composition and gas production rate based on a flow meter, which has a "temperature-sensitive flow meter 4" and one of the "temperature-sensitive flow meter 2", "temperature-sensitive flow meter 3" and "temperature-sensitive flow meter 5". It can solve the "normalized sample gas production rate after decontamination (flow method)" and "normalized sample gas production rate before decontamination (flow method)" as the respective gas production rates of the first gas.

[0120] In addition, the above three methods also require subsequent verification using a "filtering algorithm" to remove individual abnormal points of fluctuation. The above filtering algorithm can be executed by the data processing module in the gas composition and gas production rate detection structure: at multiple time points, at least one of the following filtering algorithms is used to perform data verification: linear filtering, nonlinear filtering, adaptive filtering, etc.

[0121] In summary, the beneficial effects brought about by the present invention include:

[0122] 1) This solves the problem that current gas production detection systems are unable to detect / accurately determine gas composition in real time under complex working conditions. Compared to existing technologies, the technical solution of the present invention improves the semi-quantitative gas evaluation capability to quantitative, and can calculate the gas production rate and gas production volume over any time period. Therefore, the present invention can also solve the problem that the results of current gas production detection systems cannot be quantitatively compared and analyzed between different samples, enabling quantitative comparison between different samples and standardized evaluation of material improvements, further enhancing the capabilities of existing technologies.

[0123] 2) This method solves the problem of gas detection result deviation caused by volume changes due to temperature changes. The gas flow rate at all points eliminates the deviation caused by temperature. The flow rate value of the gas composition detection component is defined at room temperature. Compared with the results without temperature correction, the accuracy of the gas flow rate at low temperatures and especially high temperatures is improved. For example, 0°C and 300°C will cause deviations of approximately 9.9% and 92.9%, respectively. Through the above-mentioned temperature calibration method, the present invention unifies the temperature benchmark for horizontal comparison between samples and data, which is the basis for achieving standardized evaluation.

[0124] 3) This method solves the problem of coupled and superimposed mass-to-nuclear ratios of different gas molecular fragments when using mass spectrometry to detect mixed gases, preventing accurate decomposition and obtaining accurate results for each gas. This method calculates the "optimal solution" based on the distribution pattern of product molecular fragments, achieving data decoupling of the overlapping fragments of multiple substances. For relatively complex mixed gas scenarios (such as gas production during thermal runaway of batteries), the quantification accuracy of carbon monoxide, carbon dioxide, oxygen, and various alkanes and alkenes can be improved by 10% to 20% compared to using characteristic mass-to-nuclear ratio methods.

[0125] The present application also provides a machine-readable storage medium having instructions stored thereon, which are used to cause the machine to execute the above-mentioned method for determining the gas composition and its gas production rate. It should be understood by those skilled in the art that the embodiments of the present application can be provided as methods, systems or computer program products. Therefore, the present application can adopt the form of a complete hardware embodiment, a complete software embodiment, or an embodiment combining software and hardware. Moreover, the present application can adopt the form of a computer program product implemented 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.

[0126] The present application is described with reference to the flowcharts and / or block diagrams of the methods, devices (systems), and computer program products according to the embodiments of the present application. It should be understood that each process and / or box in the flowchart and / or block diagram, as well as the combination of the processes and / or boxes in the flowchart and / or block diagram, can be implemented by computer program instructions. These computer program instructions can be provided to a processor of a general-purpose computer, a special-purpose computer, an embedded processor, or other programmable data processing device to produce a machine, so that the instructions executed by the processor of the computer or other programmable data processing device generate instructions for implementing the steps in the process. Figure 1 a process or multiple processes and / or boxes Figure 1 A device that provides the functions specified in a block or multiple blocks.

[0127] These computer program instructions may also be stored in a computer readable memory that can direct a computer or other programmable data processing device to work in a specific manner, so that the instructions stored in the computer readable memory produce an article of manufacture comprising an instruction device, which implements the process Figure 1 a process or multiple processes and / or boxes Figure 1 The function specified in one or more boxes.

[0128] These computer program instructions can also be loaded onto a computer or other programmable data processing device so that a series of operational steps are executed on the computer or other programmable device to produce a computer-implemented process, thereby providing the instructions executed on the computer or other programmable device for implementing the process. Figure 1 a process or multiple processes and / or boxes Figure 1 A functional step specified in one or more boxes.

[0129] In a typical configuration, a computing device includes one or more processors (CPUs), input / output interfaces, network interfaces, and memory.

[0130] The memory may include non-permanent memory in a computer-readable medium, random access memory (RAM) and / or non-volatile memory in the form of read-only memory (ROM) or flash RAM. The memory is an example of a computer-readable medium.

[0131] Computer-readable media includes permanent and non-permanent, removable and non-removable media that can be implemented by any method or technology to store information. The information can be computer-readable instructions, data structures, program modules 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 technology, compact disc read-only memory (CD-ROM), digital versatile disc (DVD) or other optical storage, magnetic cassettes, magnetic disk storage or other magnetic storage devices or any other non-transmission media that can be used to store information that can be accessed by a computing device. As defined herein, computer-readable media does not include transitory computer-readable media (transitory media), such as modulated data signals and carrier waves.

[0132] It should also be noted that the terms "comprises," "includes," or any other variations thereof are intended to encompass non-exclusive inclusion, such that a process, method, commodity, or apparatus that includes a series of elements includes not only those elements but also other elements not explicitly listed, or includes elements inherent to such process, method, commodity, or apparatus. In the absence of further limitations, an element defined by the phrase "comprises a ..." does not exclude the presence of other identical elements in the process, method, commodity, or apparatus that includes the element.

[0133] The above are merely embodiments of the present application and are not intended to limit the present application. For those skilled in the art, the present application may have various changes and variations. Any modifications, equivalent replacements, improvements, etc. made within the spirit and principles of the present application should all be included within the scope of the claims of the present application.

Claims

1. A detection structure for gas composition and gas production rate, characterized in that: The detection structure includes: a sample gas generating component, a carrier gas system between the sample gas generating component and the carrier gas system, a diversion port after the sample gas generating component, and a gas component detection component and an exhaust component separated from the diversion port. The sample gas producing component produces a first gas, the carrier gas system outputs a second gas and purges the sample gas producing component so that the sample gas producing component outputs a third gas containing the first gas and the second gas, the diversion port diverts the third gas into a first branch gas and a second branch gas and leads them to the gas component detection component and the exhaust gas component respectively, the gas component detection component receives the first branch gas and performs gas component detection on it to obtain various gas detection values of the sample, and the exhaust gas component discharges the second branch gas; In which, the detection structure also includes at least two flow monitoring components, the first flow monitoring component is located between the diversion port and the gas composition detection component, and is used to detect or control the first flow rate of the first branch gas; the second flow monitoring component is located between the sample gas production component and the carrier gas system or between the sample gas production component and the exhaust gas component, and is used to detect or control the flow rate of the incoming gas.

2. The detection structure according to claim 1, characterized in that: The flow monitoring component further includes a thermometer to detect the temperature of the gas flowing through the flow monitoring component.

3. The detection structure according to claim 2, characterized in that: The second flow monitoring component is located between the sample gas generating component and the carrier gas system, and is used to detect a second temperature of the second gas and control a second flow rate of the second gas; and / or The detection structure further includes a data processing module for determining various gas types and various gas production flow rates of the first gas based on various gas detection values of the sample, the first temperature, the first flow rate, the second temperature, and the second flow rate.

4. The detection structure according to claim 2, characterized in that: The second flow monitoring component is located between the diversion port and the tail gas component, and is used to detect a third temperature and a third flow rate of the second branch gas; and / or The detection structure further includes a data processing module for determining various gas types and various gas production flow rates of the first gas based on various gas detection values of the sample, the first temperature, the first flow rate, the third temperature, and the third flow rate.

5. The detection structure according to claim 2, characterized in that: The second flow monitoring component is located between the sample gas producing component and the diversion port, and is used to detect the fourth temperature and the fourth flow rate of the third gas. The detection structure further includes a data processing module for determining various gas types and various gas production flow rates of the first gas based on various gas detection values of the sample, the fourth flow rate, and the fourth temperature.

6. The detection structure according to claim 5, characterized in that: The detection structure further includes a filter component located between the sample gas generating component and the diversion port, and configured to filter the liquid in the third gas. Wherein, the second flow monitoring component is located between the sample gas producing component and the filtering component, or between the filtering component and the diversion port.

7. The detection structure according to any one of claims 3 to 6, characterized in that: The data processing module is further configured to perform data verification at multiple time points using at least one of the following filtering algorithms: linear filtering, nonlinear filtering, and adaptive filtering.

8. The detection structure according to claim 2, further characterized in that: The first flow monitoring component includes: a gas control valve, In the case where the second flow monitoring component is located between the sample gas producing component and the carrier gas system, the second flow monitoring component includes: a gas control valve; or In the case where the second flow monitoring component is located between the sample gas producing component and the exhaust gas component, the second flow monitoring component includes: a gas flow meter.

9. The detection structure according to claim 2, characterized in that: The gas composition detection component is further configured to perform gas composition detection on the first branch gas in a manner of outputting a characteristic mass-to-nuclear ratio or an optimal solution of the mass-to-nuclear ratio, so as to obtain various gas detection values of the sample.

10. The detection structure according to claim 9, characterized in that: The gas component detection component outputs the optimal solution of the mass-to-nuclear ratio, including the following steps: Obtaining a distribution of detection results of the first branch gas at various mass-to-nuclear ratios; Based on the established gas molecule fragmentation database, the quantitative value of each gas under any defined composition ratio is determined; Determining target component ratios of the gases with the goal of minimizing the deviation between the sum of the superposition of the gas sub-item quantified values and the distribution of the detection results; and The target component ratio is used as the detection value of various gases in the sample.

11. A method for determining gas composition and its gas production rate, applied to a gas detection structure, the gas detection structure comprising: The sample gas producing component, the carrier gas system between the sample gas producing component and the carrier gas system, the diversion port after the sample gas producing component, and the gas component detection component and the tail gas component separated from the diversion port are characterized in that the determination method includes: Obtaining various gas detection values of the sample of the first branch gas diverted from the diversion port through the gas component detection component; detecting a first temperature of the first branched gas and controlling a first flow rate of the first branched gas through a first flow monitoring component located between the branch port and the gas composition detection component; Detecting a second temperature of the incoming gas and detecting or controlling a second flow rate of the incoming gas by a second flow monitoring component located between the sample gas producing component and the carrier gas system or between the sample gas producing component and the exhaust gas component; and The gas types and gas production rates of the first gas produced by the sample gas producing component are determined according to the various gas detection values of the sample, the first temperature, the first flow rate, the second temperature, and the second flow rate.

12. The determination method according to claim 11, characterized in that: The input gas is a second gas output by the carrier gas system, and the second flow monitoring component is located between the sample gas generating component and the carrier gas system, and is used to detect a second temperature of the second gas and control a second flow rate of the second gas. The determining, based on the various gas detection values of the sample, the first temperature, the first flow rate, the second temperature, and the second flow rate, of various gas types and various gas production flow rates of the first gas produced by the sample gas producing component includes: Determining the concentration coefficient of each gas based on the various gas detection values of the sample; Determining a normalized mass spectrometer flow rate of each gas at a reference temperature and an amplification factor for the second gas based on the concentration coefficient, the first flow rate, the first temperature, the second flow rate, and the second temperature; and According to the amplification factor and the normalized mass spectrometry flow rate of each gas at the reference temperature, the decontaminated normalized sample gas production flow rate of each gas is determined as the gas production flow rate of each first gas.

13. The determination method according to claim 12, characterized in that: Determining the normalized mass spectrometry flow rate of each gas at a reference temperature and the amplification factor for the second gas according to the concentration coefficient, the first flow rate, the first temperature, the second flow rate, and the second temperature includes: determining a normalized mass spectrometry flow rate of each gas at the reference temperature according to the first flow rate, the first temperature, and the concentration coefficient; determining a normalized carrier gas flow rate of the second gas at the reference temperature based on the second flow rate and the second temperature; and An amplification factor for the second gas is determined according to the normalized carrier gas flow rate and the normalized mass spectrometry flow rate of the carrier gas in each gas.

14. The determination method according to claim 11, characterized in that: The gas detection structure further includes an exhaust component separated from the diversion port, the incoming gas is a second branch gas separated from the diversion port, and the second flow monitoring component is located between the diversion port and the exhaust component, and is used to detect a second temperature and a second flow rate of the second branch gas. The determining, based on the various gas detection values of the sample, the first temperature, the first flow rate, the second temperature, and the second flow rate, of various gas types and various gas production flow rates of the first gas produced by the sample gas producing component includes: Determining the concentration coefficient of each gas based on the various gas detection values of the sample; determining a normalized mass spectrum total flow rate of the first branch gas at a reference temperature according to the first flow rate and the first temperature; determining a normalized waste gas total flow rate of the second branch gas at the reference temperature according to the second flow rate and the second temperature; Determining the normalized total flow rate of the third gas output by the sample gas producing component at the reference temperature according to the normalized total mass spectrum flow rate and the normalized total waste gas flow rate; and According to the concentration coefficient and the normalized total flow rate, the impurity-free normalized sample gas production flow rate of each gas is determined as the gas production flow rate of each first gas.

15. The determination method according to claim 11, characterized in that: The input gas is the third gas output by the sample gas producing component, and the second flow monitoring component is located between the sample gas producing component and the diversion port, and is used to detect the second temperature and the second flow rate of the third gas. The determining, based on the various gas detection values of the sample, the first temperature, the first flow rate, the second temperature, and the second flow rate, of various gas types and various gas production flow rates of the first gas produced by the sample gas producing component includes: Determining the concentration coefficient of each gas based on the various gas detection values of the sample; determining a normalized total flow rate of the third gas at a reference temperature based on the second temperature and the second flow rate; According to the concentration coefficient and the normalized total flow rate, the impurity-free normalized sample gas production flow rate of each gas is determined as the gas production flow rate of each first gas.

16. The determination method according to any one of claims 11 to 15, characterized in that: Determining the concentration coefficient of each gas based on the various gas detection values of the sample includes: The first branch gas is subjected to gas composition detection in a manner of outputting a characteristic mass-to-nuclear ratio or an optimal solution of the mass-to-nuclear ratio to obtain various gas detection values of the sample.

17. The determination method according to claim 16, characterized in that: The method of outputting the optimal solution of mass-to-nuclear ratio comprises the following steps: Obtaining a distribution of detection results of the first branch gas at various mass-to-nuclear ratios; Based on the established gas molecule fragmentation database, the quantitative value of each gas under any defined composition ratio is determined; Determining target component ratios of the gases with the goal of minimizing the deviation between the sum of the superposition of the gas sub-item quantified values and the distribution of the detection results; and The target component ratio is used as the detection value of various gases in the sample.

18. The determination method according to claim 17, characterized in that: Use at least one of the following algorithms to determine the target component ratio of each gas so as to minimize the deviation between the sum of the quantized values of the gas sub-item quantized values and the distribution of the detection results: optimal fit algorithm, least squares method, ridge regression method, Lasso regression method, LM method.

19. A machine-readable storage medium, characterized in that The machine-readable storage medium stores instructions for causing a machine to execute: a method for determining gas composition and gas production rate thereof according to any one of claims 11-18.

20. A processor, characterized in that: To run the program, Wherein, when the program is run, it is used to execute: the method for determining the gas composition and the gas production rate thereof according to any one of claims 11-18.

21. A computer program product comprising a computer program, characterized in that When the computer program is executed by a processor, the computer program implements the method for determining gas composition and gas production rate thereof according to any one of claims 11 to 18.

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