High-throughput spectrum analysis and discrimination system for purity of liquid hydrogen storage carrier

Abstract

The invention relates to the field of analysis and discrimination, and discloses a high-throughput spectrum analysis and discrimination system for purity of a liquid hydrogen storage carrier, which is used for providing help for quality monitoring of high-purity complex liquid. Comprising the following steps: applying preset linear physical disturbance to a to-be-detected sample, collecting spectrums at equal intervals, and constructing an original dynamic spectrum matrix; calculating an average spectrum to generate a spectrum deviation matrix, extracting an asynchronous correlation spectrum as a core dynamic response characteristic through two-dimensional correlation analysis, comparing the asynchronous correlation spectrum with a high-purity reference asynchronous correlation spectrum template to generate a difference spectrum or a purity interference index, and determining the purity of the asynchronous correlation spectrum according to the relation between an abnormal asynchronous correlation peak or the purity interference index in the difference spectrum and a critical threshold value. And outputting a purity discrimination conclusion. Before the standard sample is stored in a template library, the purity of the standard sample is verified by using various methods, and standardized template items are formed and stored after the verification is passed, so that the accuracy and reliability of judgment are ensured, and the method is suitable for purity detection in large-scale production and application of the hydrogen energy industry.

Description

Technical Field

[0001] This invention relates to the field of analytical discrimination, and more particularly to a high-throughput spectroscopic analysis and discrimination system for determining the purity of liquid hydrogen storage carriers. Background Technology

[0002] Liquid hydrogen storage carriers are key materials for hydrogen energy storage and transportation, and their purity directly affects the efficiency and safety of hydrogen energy utilization, as well as the performance stability of related equipment. In the hydrogen energy industry chain, accurately and quickly determining the purity of liquid hydrogen storage carriers is crucial for ensuring quality standards for the large-scale application of hydrogen energy.

[0003] Spectroscopic analysis technology has been widely used in the field of substance purity analysis due to its advantages such as non-destructive nature, rapid detection, and ability to provide rich chemical structural information. Traditional spectroscopic analysis methods have achieved certain results in the purity detection of liquid hydrogen storage carriers, but they still have many limitations when faced with the complex chemical composition and dynamic changes of liquid hydrogen storage carriers.

[0004] During storage and use, the internal composition of liquid hydrogen storage carriers may change dynamically due to external environmental factors or their own chemical reactions. Traditional static spectral analysis is difficult to capture this dynamic change information, resulting in inaccurate judgment of purity.

[0005] Trace impurities that may exist in liquid hydrogen storage carriers can interfere with the spectral signals of the main components. Traditional methods face difficulties in separating and identifying these weak and complex spectral features, making it difficult to achieve high-precision purity determination.

[0006] Furthermore, with the rapid development of the hydrogen energy industry, higher requirements have been placed on the efficiency of purity detection of liquid hydrogen storage carriers. Traditional methods are cumbersome and time-consuming, and cannot meet the needs of high-throughput detection.

[0007] Therefore, we propose a high-throughput spectroscopic analysis system for determining the purity of liquid hydrogen storage carriers to address the aforementioned issues. Summary of the Invention

[0008] This invention provides a high-throughput spectroscopic analysis and discrimination system for the purity of liquid hydrogen storage carriers, which can help monitor the quality of high-purity complex liquids.

[0009] The first aspect of this invention provides a high-throughput spectroscopic analysis and discrimination system for the purity of liquid hydrogen storage carriers. The system comprises: an acquisition module, used to apply a preset linear physical perturbation to the liquid hydrogen storage carrier sample and acquire its spectrum at equal intervals during the perturbation process to obtain the original dynamic spectral matrix of the sample; a processing module, used to calculate the average spectrum based on the original dynamic spectral matrix and subtract the average spectrum from each acquired spectrum to generate a spectral deviation matrix; an extraction module, used to perform two-dimensional correlation analysis on the spectral deviation matrix, calculate its synchronous correlation spectrum and asynchronous correlation spectrum respectively, and extract the asynchronous correlation spectrum of the sample as a core dynamic response feature; an evaluation module, used to compare the core dynamic response feature with a pre-established high-purity benchmark asynchronous correlation spectrum template to generate a difference spectrum or a purity interference index; and a discrimination module, used to output a purity discrimination conclusion for the liquid hydrogen storage carrier sample based on whether abnormal asynchronous correlation peaks appear in the difference spectrum or whether the purity interference index exceeds a preset critical threshold.

[0010] Optionally, in a first implementation of the first aspect of the present invention, the method includes: generating a perturbation parameter setting according to a preset perturbation mode, and applying the perturbation parameter setting to a sample cell containing a liquid hydrogen storage carrier sample to be tested; activating a spectral acquisition device to synchronize it with the perturbation process, and continuously acquiring the spectral signal of the sample to be tested at fixed time intervals or intervals corresponding to the change in the perturbation; and collecting and aligning the multiple discrete spectral signals acquired in order of time or perturbation value to construct an original dynamic spectral matrix.

[0011] Optionally, in a second implementation of the first aspect of the present invention, the method includes: performing an arithmetic mean calculation on the wavenumber dimension for all the spectra acquired in the original dynamic spectral matrix to obtain an average spectrum; subtracting the corresponding value of the average spectrum from each acquired spectrum in the original dynamic spectral matrix point by point to generate an intermediate spectral deviation set; and rearranging and integrating all the deviation spectra in the intermediate spectral deviation set according to their acquisition order to form a spectral deviation matrix.

[0012] Optionally, in a third implementation of the first aspect of the present invention, the method includes: calculating the covariance of the spectral intensity deviation at any two different wavenumbers over the entire perturbation sequence based on the spectral deviation matrix to generate a synchronous correlation spectrum; performing a mathematical transformation on the spectral deviation matrix to generate an orthogonalized spectral deviation sequence; performing matrix operations on the spectral deviation matrix and the orthogonalized spectral deviation sequence to obtain an asynchronous correlation spectrum; and separating and extracting the asynchronous correlation spectrum from the calculation results containing synchronous and asynchronous information, and outputting it as the core dynamic response feature.

[0013] Optionally, in a fourth implementation of the first aspect of the present invention, all feature signal regions corresponding to preset coupling modes between specific chemical functional groups are identified and extracted from the core dynamic response features to generate a feature region signal subset; the intensity value of each signal point in the feature region signal subset is processed to eliminate the absolute intensity deviation introduced by sample concentration or optical path difference to generate a dynamic response feature set.

[0014] Optionally, in a fifth implementation of the first aspect of the present invention, the method includes: determining a feature comparison region in a wavenumber-wavenumber two-dimensional plane based on the chemical structure of the liquid hydrogen storage carrier to be tested; comparing the values ​​of the core dynamic response features in the feature comparison region with the corresponding values ​​of the high-purity benchmark asynchronous correlation spectrum template in the same region one by one to obtain a set of difference values; generating a quantitative purity interference index by calculating the statistical deviation of the set of difference values ​​in the feature comparison region; or generating a difference map for visual comparison by mapping the set of difference values ​​into a two-dimensional graphic.

[0015] Optionally, in a sixth implementation of the first aspect of the present invention, the method includes: if the difference spectrum is used for discrimination, an abnormal signal determination threshold is generated based on the background noise level of the high-purity benchmark asynchronous correlation spectrum in the feature region, which is determined by pre-statistics; the intensity of all signal points in the difference spectrum is compared with the abnormal signal determination threshold, and all signal points with intensity exceeding the threshold are identified, and an abnormal signal point report is generated; the abnormal signal point report is analyzed, and if more than a preset number of abnormal signal points are found to be clustered in a specific cross-peak region related to the key functional group of the main molecule, a first discrimination conclusion indicating that the sample purity is unqualified is generated; otherwise, a second discrimination conclusion indicating that the sample purity is qualified is generated; if the purity interference index is used for discrimination, the calculated purity interference index is directly compared with a critical threshold preset based on the statistical distribution of high-purity samples; if the purity interference index is greater than the critical threshold, a third discrimination conclusion indicating that the sample purity is unqualified is generated; if the purity interference index is less than or equal to the critical threshold, a fourth discrimination conclusion indicating that the sample purity is qualified is generated.

[0016] Optionally, in the seventh implementation of the first aspect of the present invention, an analysis module is further included: establishing a high-purity benchmark asynchronous correlation spectrum template library, wherein corresponding benchmark templates are stored for different types of liquid hydrogen storage carriers and under different preset perturbation modes; before comparison, according to the chemical type of the sample to be tested and the selected perturbation mode, a matching high-purity benchmark asynchronous correlation spectrum template is retrieved from the template library and called to generate a benchmark template specific to the current analysis task; after performing comparison and discrimination using the benchmark template, the obtained difference spectrum or the purity interference index, together with the experimental condition identifier of the analysis, is stored to generate a historical analysis record.

[0017] Optionally, in the eighth implementation of the first aspect of the present invention, before storing any high-purity reference asynchronous correlation spectrum into the template library, the purity of the reference sample corresponding to the generated spectrum is verified using at least two independent classical analytical methods, and multiple verification analysis reports are obtained; the results of the multiple verification analysis reports are checked for consistency, and if the check passes, a qualified access certificate for the reference sample and the corresponding spectrum is generated; the reference asynchronous correlation spectrum with the qualified access certificate is associated and bound with its corresponding liquid hydrogen storage carrier chemical type identifier and perturbation mode parameter identifier to form a standardized template entry, and stored in the template library.

[0018] Beneficial effects: Through the dynamic perturbation acquisition mode and unique spectral data processing flow, it is possible to capture the spectral information of the sample more comprehensively and accurately, especially trace impurities and dynamic change characteristics, thereby significantly improving the accuracy of purity determination of liquid hydrogen storage carriers and providing a reliable guarantee for quality control in the hydrogen energy industry. Two-dimensional correlation analysis and precise feature extraction processing techniques effectively enhance the system's ability to identify trace impurities. It can separate the spectral characteristics of trace impurities from complex spectral signals, accurately determine their impact on sample purity, and help to promptly identify potential quality problems, ensuring the safety and stability of hydrogen energy utilization. The entire analysis process is automated and standardized. From perturbation parameter setting and spectral acquisition to data analysis and purity determination, each step is closely integrated, significantly shortening the detection time and improving detection efficiency. This meets the demand for rapid purity detection of liquid hydrogen storage carriers in large-scale production and applications of the hydrogen energy industry, promoting the efficient development of the hydrogen energy industry. The establishment of a standardized template library ensures the consistency and comparability of analytical results across different laboratories or testing scenarios. By using a unified benchmark template for comparison, the purity determination results of samples from different batches and sources have a reliable standard basis. Attached Figure Description

[0019] Figure 1This is a schematic diagram of an embodiment of the high-throughput spectroscopic analysis and discrimination system for the purity of liquid hydrogen storage carriers in this invention. Figure 2 A schematic diagram illustrating the process of acquiring the original dynamic spectral matrix by applying a linear physical perturbation to the sample of the liquid hydrogen storage carrier under test; Figure 3 This is a schematic diagram of an embodiment of a high-throughput spectroscopic analysis and discrimination device for the purity of liquid hydrogen storage carriers in this invention. Detailed Implementation

[0020] This invention provides a high-throughput spectroscopic analysis system for determining the purity of liquid hydrogen storage carriers, assisting in the quality monitoring of high-purity complex liquids. The terms "first," "second," "third," "fourth," etc. (if present) in the specification, claims, and accompanying drawings are used to distinguish similar objects and are not necessarily used to describe a specific order or sequence. It should be understood that such data can be interchanged where appropriate so that the embodiments described herein can be implemented in orders other than those illustrated or described herein. Furthermore, the terms "comprising" or "having" and any variations thereof are intended to cover a non-exclusive inclusion; for example, a process, method, system, product, or apparatus that comprises a series of steps or units is not necessarily limited to those steps or units explicitly listed, but may include other steps or units not explicitly listed or inherent to such processes, methods, products, or apparatus.

[0021] For ease of understanding, the specific process of the embodiments of the present invention is described below. Please refer to [link / reference]. Figure 1 and Figure 2 One embodiment of the high-throughput spectroscopic analysis and discrimination system for the purity of liquid hydrogen storage carriers in this invention includes: 101. Acquisition module, used to obtain the original dynamic spectral matrix of the sample by applying a preset mode of linear physical perturbation to the sample of the liquid hydrogen storage carrier to be tested, and acquiring its spectrum at equal intervals during the perturbation process. It is understood that the executing entity of this invention can be a high-throughput spectroscopic analysis and discrimination device for the purity of liquid hydrogen storage carriers, or it can be a terminal or a server; the specific implementation is not limited here. This embodiment of the invention will be described using a server as an example.

[0022] Specifically, based on the preset perturbation mode, a perturbation parameter setting including the initial value, the termination value and the linear change rate is generated, and the perturbation parameter setting is applied to the sample cell containing the liquid hydrogen storage carrier sample to be tested. Start the spectral acquisition device and synchronize it with the process of applying the perturbation. Collect the spectral signal of the sample to be tested continuously at fixed time intervals or intervals corresponding to the change in the perturbation. Multiple discrete spectral signals acquired in order of time or perturbation value are collected and aligned to construct an original dynamic spectral matrix with wavenumber as the first dimension and acquisition order or corresponding perturbation value as the second dimension.

[0023] 102. Processing module, used to calculate the average spectrum based on the original dynamic spectral matrix, and subtract the average spectrum from each acquired spectrum to generate a spectral deviation matrix characterizing the change of spectrum with perturbation. Specifically, the arithmetic mean of all the acquired spectra in the original dynamic spectral matrix is ​​calculated in the wavenumber dimension to obtain an average spectrum that represents the average state of the spectral response of the sample throughout the entire perturbation process. For each spectrum acquired in the original dynamic spectral matrix, the corresponding value of the average spectrum is subtracted point by point to generate an intermediate spectral deviation set consisting of multiple deviation spectra. All the biased spectra in the intermediate spectral bias set are rearranged and integrated according to their acquisition order to form the final spectral bias matrix, where each row represents the intensity bias change of a specific wavenumber point over the entire perturbation sequence.

[0024] 103. Extraction module, used to perform two-dimensional correlation analysis on the spectral deviation matrix, calculate its synchronous correlation spectrum and asynchronous correlation spectrum respectively, and extract the asynchronous correlation spectrum of the sample as the core dynamic response feature; Specifically, based on the spectral deviation matrix, the covariance of the spectral intensity deviation at any two different wavenumbers is calculated over the entire perturbation sequence, generating a synchronous correlation spectrum characterizing the synergistic effect of spectral changes at different wavenumbers. Using the Hilbert orthogonal transformation rule, a mathematical transformation is performed on the spectral deviation matrix to generate a corresponding orthogonalized spectral deviation sequence; By performing matrix operations on the spectral deviation matrix and the orthogonalized spectral deviation sequence, an asynchronous correlation spectrum characterizing the differences in the order or hysteresis of spectral changes at different wavenumber points is obtained. The calculated asynchronous correlation spectrum is separated and extracted from the calculation results containing synchronous and asynchronous information, and used as the core dynamic response feature for subsequent purity comparison.

[0025] Furthermore, from the core dynamic response features, all feature signal regions corresponding to the preset coupling modes between specific chemical functional groups are identified and extracted to generate a feature region signal subset; The intensity value of each signal point in the feature region signal subset is normalized to eliminate the absolute intensity deviation introduced by the difference in sample concentration or optical path, and a standardized dynamic response feature set is generated to replace the core dynamic response feature for subsequent comparison and discrimination.

[0026] 104. Evaluation module, used to compare the core dynamic response characteristics with a pre-established high-purity benchmark asynchronous correlation spectrum template, generate a difference spectrum or calculate a quantified purity interference index; Specifically, based on the chemical structure of the liquid hydrogen storage carrier to be tested, a feature comparison region containing the interaction region of its key functional group vibrational modes is determined in the wavenumber-wavenumber two-dimensional plane. The values ​​of the core dynamic response features within the feature comparison region are compared one by one with the corresponding values ​​of the high-purity benchmark asynchronous correlation spectrum template within the same region to obtain a set of difference values. Based on the set of difference values, a comprehensive quantitative purity interference index is generated by calculating its statistical deviation within the feature comparison region; or a difference map for visual comparison is generated by mapping the set of difference values ​​into a two-dimensional graphic.

[0027] 105. The discrimination module is used to output the purity discrimination conclusion of the liquid hydrogen storage carrier sample to be tested based on whether there are abnormal asynchronous correlation peaks in the difference spectrum or whether the purity interference index exceeds the preset critical threshold.

[0028] Specifically, if the difference spectrum is used for discrimination, an abnormal signal judgment threshold is generated based on the background noise level of the high-purity benchmark asynchronous correlation spectrum in the feature region, which is determined in advance by statistics. The intensity of all signal points in the difference map is compared with the abnormal signal judgment threshold. All signal points with an intensity exceeding the threshold are identified, and an abnormal signal point report is generated. If the analysis of abnormal signal point reports reveals that more than a preset number of abnormal signal points are clustered in a specific cross-peak region related to the key functional groups of the main molecule, a first discriminant conclusion indicating that the sample purity is unqualified is generated; otherwise, a second discriminant conclusion indicating that the sample purity is qualified is generated. If the purity interference index is used for discrimination, the calculated purity interference index is directly compared with the critical threshold preset based on the statistical distribution of high-purity samples. If the purity interference index is greater than the critical threshold, a third discrimination conclusion indicating that the sample purity is unqualified is generated. If it is less than or equal to the critical threshold, a fourth discrimination conclusion indicating that the sample purity is qualified is generated.

[0029] 106. Analysis module, used to establish and maintain a high-purity reference asynchronous correlation spectrum template library, which stores the corresponding reference templates for different types of liquid hydrogen storage carriers and under different preset perturbation modes; Before comparison, based on the chemical type of the sample to be tested and the selected perturbation mode, a matching high-purity benchmark asynchronous correlation spectrum template is retrieved from the template library and called to generate a benchmark template specific to the current analysis task. After comparison and discrimination using a dedicated benchmark template, the obtained difference spectrum or purity interference index, along with the experimental condition identifier of this analysis, are stored together to generate a historical analysis record for subsequent batch consistency tracking and quality trend analysis.

[0030] Specifically, before storing any high-purity reference asynchronous correlation spectrum into the template library, the purity of the reference sample corresponding to the generated spectrum is verified using at least two independent classical analytical methods, and multiple verification analysis reports are obtained. The consistency of the results from multiple verification analysis reports is checked. If the check passes, a qualified access certificate for the reference sample and the corresponding spectrum is generated. The benchmark asynchronous correlation spectrum with the accompanying qualification certificate is associated and bound with the corresponding chemical type identifier and perturbation mode parameter identifier of the liquid hydrogen storage carrier to form a standardized template entry with quality traceability information, and stored in the template library.

[0031] In this embodiment of the invention, by applying a preset linear physical perturbation and acquiring spectra at equal intervals, an original dynamic spectral matrix is ​​constructed. Compared with traditional static acquisition, this method can obtain more information about the sample during the perturbation process, more comprehensively reflecting the spectral characteristics of the sample, and providing a richer and more reliable data foundation for subsequent accurate purity analysis. The method first calculates the average spectrum and then generates the spectral deviation matrix, effectively highlighting the characteristics of spectral changes with perturbation, reducing the interference of background noise and average state on the analysis, and making the subsequently extracted features more accurately reflect the sample's purity-related dynamic response. The method uses two-dimensional correlation analysis to calculate synchronous and asynchronous correlation spectra, and extracts the asynchronous correlation spectrum as the core dynamic response feature. This allows for in-depth exploration of the sequential or hysteresis differences in spectral changes at different wavenumber points, more accurately capturing purity-related feature information. Compared with traditional single-dimensional analysis methods, this method greatly improves the effectiveness and accuracy of feature extraction. The method identifies and extracts feature signal regions corresponding to coupling modes of specific chemical functional groups from the core dynamic response features, and normalizes them to generate a standardized dynamic response feature set. This eliminates the influence of sample concentration or optical path differences, making comparisons between different samples more scientific and comparable, further improving the accuracy of purity analysis. This system allows for both intuitive visual comparison via difference spectra and precise judgment through the calculation of quantitative purity interference indicators. Detailed discrimination rules have been developed for both methods, evaluating sample purity from multiple perspectives and improving the reliability and accuracy of the results. A high-purity benchmark asynchronous correlation spectrum template library has been established and maintained. Matching templates are called based on sample type and perturbation mode to ensure accurate comparisons. Historical analysis records are stored, facilitating batch consistency tracking and quality trend analysis, providing strong data support for the quality control and improvement of liquid hydrogen storage carriers. The purity of benchmark spectra stored in the template library is verified using multiple independent classical analytical methods, and consistency checks are performed to generate qualified access certificates, ensuring the quality and reliability of benchmark spectra in the template library and providing a solid guarantee for accurate analysis throughout the system.

[0032] Figure 3 This is a schematic diagram of a high-throughput spectroscopic analysis and discrimination device for the purity of liquid hydrogen storage carriers provided in an embodiment of the present invention. The high-throughput spectroscopic analysis and discrimination device 200 for the purity of liquid hydrogen storage carriers may include a processor 201 and a memory 202. The memory 202 is used to store program instructions and / or data, and the processor 201 is used to execute the program instructions stored in the memory 202, thereby implementing the method in the above-described method embodiment.

[0033] Optionally, the memory 202 and the processor 201 are coupled. The coupling is an indirect coupling or communication connection between devices, units, or modules, and can be electrical, mechanical, or other forms, for information exchange between devices, units, or modules.

[0034] Optionally, the high-throughput spectroscopic analysis and discrimination device 200 for the purity of the liquid hydrogen storage carrier may further include a communication interface 203. The communication interface 203 is used to communicate with other devices via a transmission medium, for example, transmitting signals received from other communication devices to the processor 201, or transmitting signals from the processor 201 to other communication devices. The communication interface 203 may be a transceiver or an interface circuit, such as a transceiver circuit or a transceiver chip.

[0035] This application embodiment does not limit the specific connection medium between the processor 201, memory 202, and communication interface 203. This application embodiment... Figure 3 The processor 201, memory 202, and communication interface 203 are connected via a bus 204. Figure 3 The connections between other components are shown in bold and are for illustrative purposes only, not as limiting information. The bus can be divided into address bus, data bus, control bus, etc. For ease of illustration, Figure 3 The bus is represented by a single thick line, but this does not mean that there is only one bus or one type of bus.

[0036] The present invention also provides a high-throughput spectroscopic analysis and discrimination device for the purity of liquid hydrogen storage carriers. The high-throughput spectroscopic analysis and discrimination device for the purity of liquid hydrogen storage carriers includes a memory and a processor. The memory stores computer-readable instructions. When the computer-readable instructions are executed by the processor, the processor performs the steps of the high-throughput spectroscopic analysis and discrimination system for the purity of liquid hydrogen storage carriers in the above embodiments.

[0037] The present invention also provides a computer-readable storage medium, which can be a non-volatile computer-readable storage medium or a volatile computer-readable storage medium, wherein the computer-readable storage medium stores instructions that, when the instructions are executed on a computer, cause the computer to perform the steps of the high-throughput spectroscopic analysis and discrimination system for the purity of the liquid hydrogen storage carrier.

[0038] Those skilled in the art will clearly understand that, for the sake of convenience and brevity, the specific working processes of the systems, devices, and units described above can be referred to the corresponding processes in the foregoing method embodiments, and will not be repeated here.

[0039] If the integrated unit is implemented as a software functional unit and sold or used as an independent product, it can be stored in a computer-readable storage medium. Based on this understanding, the technical solution of the present invention, in essence, or the part that contributes to the prior art, or all or part of the technical solution, can be embodied in the form of a software product. This computer software product is stored in a storage medium and includes several instructions to cause a computer device (which may be a personal computer, server, or network device, etc.) to execute all or part of the steps of the methods described in the various embodiments of the present invention. The aforementioned storage medium includes various media capable of storing program code, such as USB flash drives, portable hard drives, read-only memory (ROM), random access memory (RAM), magnetic disks, or optical disks.

[0040] The above-described embodiments are only used to illustrate the technical solutions of the present invention, and are not intended to limit it. Although the present invention has been described in detail with reference to the foregoing embodiments, those skilled in the art should understand that modifications can still be made to the technical solutions described in the foregoing embodiments, or equivalent substitutions can be made to some of the technical features. Such modifications or substitutions do not cause the essence of the corresponding technical solutions to deviate from the spirit and scope of the technical solutions of the embodiments of the present invention.

Claims

1. A high-throughput spectroscopic analysis and discrimination system for the purity of liquid hydrogen storage carriers, characterized in that, include: The acquisition module is used to apply a linear physical perturbation of a preset mode to the liquid hydrogen storage carrier sample and acquire its spectrum at equal intervals during the perturbation process to obtain the original dynamic spectral matrix of the sample. The processing module is used to calculate the average spectrum based on the original dynamic spectral matrix, and subtract the average spectrum from each acquired spectrum to generate a spectral deviation matrix. The extraction module is used to perform two-dimensional correlation analysis on the spectral deviation matrix, calculate its synchronous correlation spectrum and asynchronous correlation spectrum respectively, and extract the asynchronous correlation spectrum of the sample as the core dynamic response feature; The evaluation module is used to compare the core dynamic response characteristics with a pre-established high-purity benchmark asynchronous correlation spectrum template to generate a difference spectrum or purity interference index. The discrimination module is used to output a purity discrimination conclusion for the liquid hydrogen storage carrier sample to be tested based on whether abnormal asynchronous correlation peaks appear in the difference spectrum or whether the purity interference index exceeds a preset critical threshold.

2. The high-throughput spectroscopic analysis and discrimination system for the purity of liquid hydrogen storage carriers according to claim 1, characterized in that, include: Based on a preset perturbation mode, a perturbation parameter setting is generated, and the perturbation parameter setting is applied to a sample cell containing a liquid hydrogen storage carrier sample to be tested. Start the spectral acquisition device and synchronize it with the process of applying the perturbation. At fixed time intervals or intervals corresponding to the change in the perturbation, continuously acquire the spectral signal of the sample to be tested. Multiple discrete spectral signals collected and arranged in order of time or perturbation value are aggregated and aligned to construct the original dynamic spectral matrix.

3. The high-throughput spectroscopic analysis and discrimination system for the purity of liquid hydrogen storage carriers according to claim 2, characterized in that, include: The average spectrum is obtained by performing an arithmetic mean on the wavenumber dimension for all the acquired spectra in the original dynamic spectral matrix. For each spectrum acquired in the original dynamic spectral matrix, the corresponding value of the average spectrum is subtracted point by point to generate an intermediate spectral deviation set. All the biased spectra in the intermediate spectral bias set are rearranged and integrated according to the order in which they were collected to form a spectral bias matrix.

4. The high-throughput spectroscopic analysis and discrimination system for the purity of liquid hydrogen storage carriers according to claim 3, characterized in that, include: Based on the spectral deviation matrix, the covariance of the spectral intensity deviation at any two different wavenumbers over the entire perturbation sequence is calculated to generate a synchronous correlation spectrum. The spectral deviation matrix is ​​mathematically transformed to generate an orthogonalized spectral deviation sequence; Perform matrix operations on the spectral deviation matrix and the orthogonalized spectral deviation sequence to obtain the asynchronous correlation spectrum; Based on the asynchronous correlation spectrum, the core dynamic response features are separated and extracted from the calculation results containing synchronous and asynchronous information and output as core dynamic response features.

5. The high-throughput spectroscopic analysis and discrimination system for the purity of liquid hydrogen storage carriers according to claim 4, characterized in that, From the core dynamic response features, identify and extract all feature signal regions corresponding to the preset coupling modes between specific chemical functional groups, and generate feature region signal subsets; The intensity value of each signal point in the signal subset of the feature region is processed to eliminate the absolute intensity deviation introduced by the difference in sample concentration or optical path, and a dynamic response feature set is generated.

6. The high-throughput spectroscopic analysis and discrimination system for the purity of liquid hydrogen storage carriers according to claim 4, characterized in that, include: Based on the chemical structure of the liquid hydrogen storage carrier to be tested, the characteristic comparison region was determined in the wavenumber-wavenumber two-dimensional plane; The values ​​of the core dynamic response features in the feature comparison region are compared one by one with the corresponding values ​​of the high-purity benchmark asynchronous correlation spectrum template in the same region to obtain a set of difference values. Based on the set of difference values, a quantitative purity interference index is generated by calculating its statistical deviation within the feature comparison region; or a difference map for visual comparison is generated by mapping the set of difference values ​​into a two-dimensional graphic.

7. The high-throughput spectroscopic analysis and discrimination system for the purity of liquid hydrogen storage carriers according to claim 6, characterized in that, include: If the difference spectrum is used for discrimination, an abnormal signal judgment threshold is generated based on the background noise level of the high-purity benchmark asynchronous correlation spectrum in the feature region, which is determined by pre-statistics. The intensity of all signal points in the difference map is compared with the abnormal signal determination threshold, and all signal points with an intensity exceeding the threshold are identified, and an abnormal signal point report is generated. If the abnormal signal point report is analyzed and more than a preset number of abnormal signal points are found to be clustered in a specific cross-peak region related to the key functional group of the main molecule, a first judgment conclusion indicating that the sample purity is unqualified is generated. Otherwise, a second judgment is generated indicating that the sample purity is qualified; If the purity interference index is used for discrimination, the calculated purity interference index is directly compared with a critical threshold preset based on the statistical distribution of high-purity samples. If the purity interference index is greater than the critical threshold, a third judgment conclusion indicating that the sample purity is unqualified is generated; if the purity interference index is less than or equal to the critical threshold, a fourth judgment conclusion indicating that the sample purity is qualified is generated.

8. The high-throughput spectroscopic analysis and discrimination system for the purity of liquid hydrogen storage carriers according to claim 7, characterized in that, It also includes an analysis module: A high-purity reference asynchronous correlation spectrum template library was established, which stores the corresponding reference templates for different types of liquid hydrogen storage carriers and under different preset perturbation modes. Before comparison, based on the chemical type of the sample to be tested and the selected perturbation mode, a matching high-purity benchmark asynchronous correlation spectrum template is retrieved from the template library and called to generate a benchmark template specific to the current analysis task. After comparison and discrimination using the benchmark template, the obtained difference spectrum or purity interference index, along with the experimental condition identifier of this analysis, are stored together to generate a historical analysis record.

9. The high-throughput spectroscopic analysis and discrimination system for the purity of liquid hydrogen storage carriers according to claim 8, characterized in that, Before storing any high-purity reference asynchronous correlation spectrum into the template library, the purity of the reference sample corresponding to the generated spectrum is verified using at least two independent classical analytical methods, and multiple verification analysis reports are obtained. The results of the multiple verification analysis reports are checked for consistency. If the check passes, a qualified access certificate for the reference sample and the corresponding spectrum is generated. The benchmark asynchronous correlation spectrum with the accompanying qualified access certificate is associated and bound with the corresponding chemical type identifier and perturbation mode parameter identifier of the liquid hydrogen storage carrier to form a standardized template entry, which is then stored in the template library.

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