Method for Analyzing Purity of Chemical Materials Based on Spectral Technology

Abstract

The present invention discloses a chemical material purity analysis method based on spectral technology. The present invention relates to the field of spectral analysis technology and solves the problem that the existing spectral analysis of chemical materials is not comprehensive enough. The present invention calibrates similar absorption peaks by using the absorption peak change characteristics for verification and verification, and considers the band change characteristics and overlap rate before and after the absorption peak, which can effectively distinguish different absorption peaks, avoid repeated confirmation of the wavelength of the same absorption peak, and improve analysis efficiency and accuracy; not only can the impurity base bonds be determined, but also the impurity base bonds can be associated and combined into a suspicious impurity set based on a cloud database, and the suspected impurity set with the highest intensity can be locked through absorption peak verification, which expands from the microscopic base bond level to the macroscopic impurity set analysis, deeply analyzes the impurity situation, and provides more comprehensive information for chemical material quality assessment.

Description

Technical Field

[0001] The present invention relates to the technical field of spectral analysis, and in particular to a chemical material purity analysis method based on spectral technology. Background Art

[0002] The purity of chemical materials directly affects their performance and application effects. In the fields of chemical engineering, pharmaceuticals, materials science, etc., the presence of impurities may lead to the degradation of the physical and chemical properties of the materials, the decline of product stability, and even cause safety risks. For example, in semiconductor materials, trace metal impurities can significantly affect electron mobility. In drug synthesis, residual reaction intermediates or catalyst impurities may cause toxic side effects. Therefore, rapid and accurate purity analysis is a key link in the research and development and quality control of chemical materials.

[0003] Application Publication No. CN103278491B discloses a nanostructure-based spectral detection method for detecting chemical and biochemical impurities, specifically a method for providing quality assurance for industrial production processes. The method includes obtaining a manufacturing material from an industrial production process, contacting the manufacturing material with a nanosurface, and causing harmful substances to adsorb onto the nanosurface. The method also includes obtaining a Raman spectrum from the manufacturing material and the nanosurface using a spectrometer, and using a spectral analysis system to search for spectral signals of harmful substances within a predetermined spectral range in the Raman spectrum. If the spectral signal is present in the Raman spectrum, the concentration of the harmful substance in the manufacturing material is detected. If the concentration exceeds a predetermined allowable limit, the manufacturing material is removed from the industrial production process.

[0004] Existing technologies mostly rely on standard spectrum comparison or single spectral parameter analysis, which is difficult to meet the detection needs of new materials and complex systems. As chemical materials develop towards high purity and multifunctionality, there is an urgent need for a method that integrates multi-frequency spectral data processing and intelligent analysis to achieve precise positioning of impurity base bonds, efficient matching of similar features, and in-depth tracing of impurity sets, thereby improving the accuracy and reliability of chemical material purity analysis. Summary of the Invention

[0005] In view of the shortcomings of the existing technology, the present invention provides a chemical material purity analysis method based on spectral technology, which solves the problem that the existing spectral analysis of chemical materials is not comprehensive enough.

[0006] To achieve the above objectives, the present invention is implemented through the following technical solutions: A chemical material purity analysis method based on spectroscopy technology includes the following steps:

[0007] By changing the frequency of infrared light, the chemical material is tested for spectrum, and the different infrared spectra corresponding to different frequencies are confirmed and the absorption peaks are calibrated in the following way:

[0008] Starting from the minimum value of the preset frequency range, the frequency of the infrared light is changed, and each change process is increased by 10THz. The infrared spectra generated by the infrared light of different frequencies during the test are confirmed;

[0009] Then, the absorption peak is calibrated on the infrared spectrum: the relevant bands with absorbance lower than 80% in the infrared spectrum are recorded as undetermined bands, and the peak point is locked from the associated undetermined bands. The front curve of the peak point tends downward, and the back curve tends upward.

[0010] The peak points associated with different undetermined bands are calibrated in turn and recorded as the absorption peaks associated with this infrared spectrum;

[0011] Determine the change characteristics associated with the corresponding absorption peaks, then verify and check the change characteristics of different absorption peaks in different infrared spectra, and calibrate the same type of absorption peaks based on the verification results, in the following way:

[0012] Based on the infrared spectrum where the absorption peak is located, the undetermined band where the corresponding absorption peak is located is determined, and the curved section where the front end of the absorption peak continuously trends downward and the curved section where the back end continuously trends upward in the undetermined band are regarded as the changing band of this absorption peak;

[0013] Based on the change band determined by the corresponding absorption peak, the front part of the band of the absorption peak is recorded as the front band, and the back part of the band is recorded as the back band. The change characteristics of the adjacent nodes are identified from the front band. The wave number associated with the previous node of the adjacent node is recorded as B1, the absorption rate is recorded as X1, the wave number associated with the next node is recorded as B2, and the absorption rate is recorded as X2. The following method is used: change characteristic = |B1-B2| ÷ |X1-X2| to confirm the change characteristics of its adjacent nodes, and determine several change characteristics associated with the front band, select the minimum and maximum values from them, confirm the front characteristic interval of the front band, and use the same processing method to lock the back characteristic interval of the back band;

[0014] According to the different infrared spectra corresponding to infrared light of different frequencies, the infrared spectra are sorted in order of frequency from small to large;

[0015] From the sorted infrared spectra, identify the similar absorption peaks associated with adjacent infrared spectra: confirm the wave number BS associated with the absorption peak i-k , where i=1 represents the first set of infrared spectra, i=2 represents the second set of infrared spectra, and k represents different absorption peaks, which will satisfy: |BS 1-k -BS 2-k The two groups of absorption peaks with |≤Y1 are recorded as the peaks to be compared, and their Y1 value is 200cm -1, perform overlap check on the front characteristic intervals associated with the two peaks to be compared, lock the front overlap rate, then perform overlap check on the back characteristic intervals associated with the two peaks to be compared, lock the back overlap rate, and record the two groups of peaks to be compared that meet the following conditions: (front overlap rate + back overlap rate) ÷ 2 ≥ 80% as similar absorption peaks. Confirm and calibrate the similar absorption peaks in adjacent infrared spectra from front to back. If the absorption peak in the corresponding infrared spectrum belongs to the same absorption peak as the previous group of infrared spectra and also belongs to the same absorption peak in the next group of infrared spectra, then the absorption peaks in the consecutive infrared spectra are all similar absorption peaks.

[0016] The absorption peak associated with the lowest absorbance among similar absorption peaks is recorded as the main peak. Based on the wavenumbers of the main peak and other absorption peaks, the wavelength of the corresponding base bond is locked to determine the wavelength set associated with this chemical material. The method is as follows:

[0017] Prioritize the absorption rates associated with different absorption peaks of the same type, determine the minimum absorption rate, and take the absorption peak associated with the minimum absorption rate as the main peak of this type of absorption peak. Other absorption peaks of the same type that are not the main peak will not participate in the wavelength confirmation process.

[0018] Wavelength confirmation process: lock the wavenumber associated with different absorption peaks in different infrared spectra, and use: wavelength = 1 ÷ wavenumber to confirm the wavelength associated with the corresponding absorption peak. The wavelength is the oscillation wavelength associated with the corresponding base bond;

[0019] Sort the confirmed wavelengths in ascending order according to their values to confirm the wavelength set associated with the chemical material;

[0020] Based on the wavelength set associated with this chemical material, combined with the base bond comparison table and the original base bonds of the chemical material, the impurity base bonds are locked and output for display. The specific method is as follows:

[0021] Based on a preset base bond comparison table, confirm the base bond associated with the corresponding wavelength in the wavelength set: each different base bond in the base bond comparison table has a wavelength range, and when the corresponding wavelength belongs to the corresponding wavelength range, it means that the corresponding base bond exists;

[0022] Based on the relevant ingredient list of the chemical material, confirm the original radical bonds existing in the chemical material, and record all the existing original radical bonds as an original radical bond group;

[0023] It is identified whether the radical bond related to the wavelength set exists in the original radical bond group, and the radical bond existing in the original radical bond group is recorded as an existing radical bond, and the radical bond not existing in the original radical bond group is recorded as an impurity radical bond.

[0024] Preferably, the method further comprises the following steps:

[0025] Based on the determined impurity base keys, the associated base keys of different impurities are confirmed from the cloud database, and the associated base keys are randomly combined to confirm the suspected impurity set. The suspected impurity set is then verified for absorption peaks, and the impurity set with the highest suspected intensity is locked and displayed in the following manner:

[0026] Based on the determined impurity base bonds, multiple groups of absorption peaks associated with the corresponding single group of impurity base bonds are locked, and the minimum absorption rate and the maximum absorption rate are locked from the multiple groups of absorption peaks to confirm the absorption rate range belonging to the corresponding impurity base bonds;

[0027] Confirm the associated base keys of different impurities from the cloud database, and randomly combine multiple impurities. If the associated base keys after the combination are consistent with the determined impurity base keys, the multiple impurities that meet the combination conditions are recorded as a suspicious impurity set;

[0028] If there is only one suspected impurity set, this suspected impurity set is regarded as the impurity set with the highest suspected intensity and is displayed directly;

[0029] If there are multiple groups of suspected impurity sets:

[0030] Lock the preset standard absorption rate of each associated base bond in the suspicious impurity set, and its standard absorption rate is the preset value, and the standard absorption rate of different associated base bonds is recorded as BZ q , where q represents different associated base keys, and then lock the impurity base key that is consistent with the associated base key, and use the absorption rate interval of this impurity base key as the verification interval of this associated base key, and identify this BZ q The difference from the middle value of the calibration interval: the difference = |BZ q - middle value of the verification interval|, then confirm the differences associated with different associated base keys in this suspicious impurity set in turn and sum them up to lock the difference characteristics belonging to this suspicious impurity set. The middle value of the verification interval is the set of absorbances in the middle of the verification interval;

[0031] The difference features associated with different suspected impurity sets are confirmed in turn, and the minimum value is selected from the confirmed different difference features. The suspected impurity set associated with the minimum value is regarded as the impurity set with the highest suspected intensity and is directly displayed.

[0032] The present invention provides a method for analyzing the purity of chemical materials based on spectroscopy technology. Compared with the existing technology, it has the following advantages:

[0033] The present invention calibrates similar absorption peaks by using the absorption peak change characteristics for verification and checking. Taking into account the change characteristics and overlap rate of the bands before and after the absorption peak, different absorption peaks can be effectively distinguished, avoiding repeated confirmation of the wavelengths of similar absorption peaks, thereby improving analysis efficiency and accuracy.

[0034] The present invention can not only determine the base bonds of impurities, but also associate and combine the base bonds of impurities into suspected impurity sets based on the cloud database, lock the suspected impurity set with the highest intensity through absorption peak verification, expand from the microscopic base bond level to the macroscopic impurity set analysis, deeply analyze the impurity situation, and provide more comprehensive information for chemical material quality assessment. BRIEF DESCRIPTION OF THE DRAWINGS

[0035] Figure 1 Schematic diagram of the process of the present invention;

[0036] Figure 2 Schematic diagram showing the infrared spectrum of the present invention;

[0037] Figure 3 Schematic diagram for determining the absorbance range of the present invention. DETAILED DESCRIPTION

[0038] The following will clearly and completely describe the technical solutions in the embodiments of the present invention in conjunction with the accompanying drawings. Obviously, the described embodiments are only part of the embodiments of the present invention, not all of the embodiments. Based on the embodiments of the present invention, all other embodiments obtained by ordinary technicians in this field without making creative efforts are within the scope of protection of the present invention.

[0039] First embodiment

[0040] See also Figure 1 , the present application provides a method for analyzing the purity of chemical materials based on spectroscopy technology, comprising the following steps:

[0041] Step 1: Perform spectrum testing on chemical materials by changing the frequency of infrared light, confirm the different infrared spectra corresponding to different frequencies, and calibrate the absorption peaks from different infrared spectra;

[0042] Specifically, during the test, each frequency of infrared light performs a set of spectral tests on the chemical material, and obtains a set of infrared spectra associated with the corresponding frequencies. Then, according to the set frequency values, there are multiple sets of infrared spectra. Generally, the same base bond exists in multiple infrared spectra, so subsequent related processing is required to carry out the identification process of the same characteristics.

[0043] The detailed processing method of Step 1 is as follows: based on the preset frequency range, which is generally 120THz-300THz, the frequency of the infrared light is changed starting from the minimum value of the frequency range, and each change process increases by 10THz. The infrared spectra generated by the infrared light of different frequencies during the test are confirmed. The test is performed in an infrared spectrometer, and the corresponding infrared spectra can be directly displayed in the infrared spectrometer;

[0044] Then, the absorption peak is calibrated on the infrared spectrum: the horizontal axis of the infrared spectrum is the wave number feature, and the vertical axis is the absorbance. The relevant bands with absorbance lower than 80% in the infrared spectrum are recorded as undetermined bands, and the peak point is locked from the associated undetermined bands. The front curve of the peak point tends downward, and the back curve tends upward, that is, this peak point is a lowest critical point.

[0045] The peak points associated with different undetermined bands are calibrated in turn and recorded as the absorption peaks associated with this infrared spectrum. The corresponding absorption peaks in a single infrared spectrum are as follows: Figure 2 As shown in , it is the corresponding lowest critical point. According to practical experience, Figure 2 The absorption peaks marked in the figure are generally associated with the base bond "-CO" and the base bond "-C=O" are generally between wave numbers 1500-1700. Figure 2 It can be confirmed that the basic bond "-C=O" does not exist in this chemical material.

[0046] Step 2: Based on the absorption peaks calibrated in different infrared spectra, determine the change characteristics associated with the corresponding absorption peaks, then verify and check the change characteristics of different absorption peaks in different infrared spectra, and calibrate similar absorption peaks based on the verification results. The so-called similar absorption peaks are different absorption peaks generated by the same type of base bonds under different frequency infrared light states;

[0047] The method for calibrating similar absorption peaks is:

[0048] Based on the infrared spectrum where the absorption peak is located, the undetermined band where the corresponding absorption peak is located is confirmed, and the segment where the front end of the absorption peak continues to trend downward and the segment where the back end of the absorption peak continues to trend upward in the undetermined band are regarded as the changing band of this absorption peak. That is, within the changing band, starting from the point where the absorption peak is located, its absorption rate continues to climb regardless of which direction it moves from left to right, and there is no state of numerical change;

[0049] Based on the change band determined by the corresponding absorption peak, the front part of the band of the absorption peak is recorded as the front band, and the back part of the band is recorded as the back band (the front band can be understood as the related curve segment with a downward trend, and the back band is the related curve segment with an upward trend), and the change characteristics of the adjacent nodes are identified from the front band (the node is to divide the segment into several points, and each point is the corresponding node), and the wave number associated with the previous node of the adjacent node is recorded as B1, and the absorption rate is recorded as X1. The wave number associated with the next node is recorded as B2, and the absorption rate is recorded as X2. Use: change characteristic = |B1-B2| ÷ |X1-X2| to confirm the change characteristics of its adjacent nodes, and determine several change characteristics associated with the front band, select the minimum and maximum values from them, confirm the front characteristic interval of the front band, and use the same processing method to lock the back characteristic interval of the back band;

[0050] According to the different infrared spectra corresponding to infrared light of different frequencies, the infrared spectra are sorted in order of frequency from small to large;

[0051] From the sorted infrared spectra, identify the similar absorption peaks associated with adjacent infrared spectra: confirm the wave number BS associated with the absorption peak i-k , where i=1 represents the first set of infrared spectra, i=2 represents the second set of infrared spectra, and k represents different absorption peaks, which will satisfy: |BS 1-k -BS 2-k The two groups of absorption peaks with |≤Y1 are recorded as the peaks to be compared (the two peaks to be compared are located in two different infrared spectra), and the value of Y1 is generally 200cm -1 , perform overlap check on the front characteristic intervals associated with the two peaks to be compared, lock the front overlap rate, then perform overlap check on the back characteristic intervals associated with the two peaks to be compared, lock the back overlap rate, and record the two groups of peaks to be compared that satisfy: (front overlap rate + back overlap rate) ÷ 2 ≥ 80% as similar absorption peaks. Confirm and calibrate the similar absorption peaks in adjacent infrared spectra from front to back. If the absorption peak in the corresponding infrared spectrum belongs to the same absorption peak as the previous group of spectra and belongs to the same absorption peak as the next group of spectra, then the absorption peaks in the three spectra are all similar absorption peaks. It should also be noted here that there are three infrared spectra, namely A, B and C, among which A and B have a similar absorption peak A1 and B1, and B and C have similar absorption peaks B1 and C1, then A1, B1 and C1 all belong to the same similar absorption peak;

[0052] Furthermore, the calculation process of the front overlap rate and the rear overlap rate here is: confirm the overlap range of the two groups of front feature intervals, then confirm the proportion of the overlap range in a single front feature interval, and then average the two proportions. The average obtained by processing is the corresponding front overlap rate, and the corresponding rear overlap rate is also obtained using the same processing method.

[0053] Step 3. Based on the wave number associated with the corresponding absorption peak, determine the wavelength of the corresponding base bond, and determine the absorption peak associated with the lowest absorbance from the same type of absorption peaks as the main peak, lock the wavelength of the main peak, and then based on the wavelengths determined in sequence, lock the wavelength set associated with this chemical material. Specifically, there are many infrared spectra here, and each infrared spectra has absorption peaks. Different absorption peaks are associated with different wavelengths. When verifying, the wavelengths belonging to the same type of absorption peaks do not need to be repeatedly confirmed, only a single confirmation is required. Subsequently, based on the corresponding wavelength set, confirm the base bond to which it belongs, and then based on the pre-existing base bond of this chemical material, identify the impurity base bond.

[0054] The method of locking the wavelength set is:

[0055] Prioritize the absorption rates associated with different absorption peaks of the same type, determine the minimum absorption rate, and take the absorption peak associated with the minimum absorption rate as the main peak of this type of absorption peak. Other absorption peaks of the same type that are not the main peak will not participate in the wavelength confirmation process.

[0056] Wavelength confirmation process: Lock the wavenumbers associated with different absorption peaks in different infrared spectra (the absorption peaks here do not include "other similar absorption peaks that are not part of the main peak", that is, only the wavelength associated with one main peak of the same absorption peak is confirmed), and use: wavelength = 1 ÷ wavenumber to confirm the wavelength associated with the corresponding absorption peak. The wavelength is the oscillation wavelength associated with the corresponding base bond. For example: if the vibration frequency of a group in a molecule is consistent with the frequency of infrared light, the molecule will absorb infrared light of that frequency and transition from the ground state vibrational (rotational) energy level to a higher vibrational (rotational) energy level; at this time, the wavelength of the absorbed infrared light corresponds to the specific wavelength that can trigger the vibrational energy level transition of the group, which appears as an absorption peak in the infrared spectrum. For example, the carbonyl group (C=O) has its own characteristic vibration frequency. When the frequency of infrared light of a specific wavelength matches it, it will be absorbed, and the corresponding absorption peak will appear;

[0057] Sort the confirmed wavelengths in ascending order according to their values to confirm the wavelength set associated with the chemical material;

[0058] There are several wavelengths in a wavelength set, and each wavelength can lock the relevant base bond in the specified comparison table, so that the base bonds of subsequent impurities can be determined based on the gradually confirmed base bonds;

[0059] Step 4: Based on the wavelength set associated with this chemical material, combined with the base bond comparison table and the original base bonds of the chemical material, the impurity base bonds are locked and output for display. Specifically, this step is mainly a comparison processing link. The base bond comparison table can be found in large quantities in the prior art and is common knowledge. Different base bonds have corresponding wavelength ranges. Based on the range to which the corresponding wavelength belongs, the existence of the corresponding base bond can be identified;

[0060] Among them, the specific method of locking the impurity base bond is:

[0061] Based on the preset base bond comparison table, confirm the base bond associated with the corresponding wavelength in the wavelength set: each different base bond in the base bond comparison table has a wavelength range. When the corresponding wavelength belongs to the corresponding wavelength range, it means that the corresponding base bond exists, that is, the base bond associated with the corresponding wavelength;

[0062] Based on the relevant ingredient list of this chemical material, confirm the original base bonds of this chemical material, and record all the existing original base bonds as an original base bond group. The base bonds here can be directly obtained and confirmed because the original base bonds of the chemical material have been marked or stored in advance and operated by relevant personnel;

[0063] Identify whether the base bonds related to the wavelength set exist in the original base bond group, record the base bonds that exist in the original base bond group as existing base bonds, record the base bonds that do not exist in the original base bond group as impurity base bonds, and output and display the determined impurity base bonds.

[0064] This embodiment mainly completes a purity analysis process of the corresponding chemical material, locks the impurity base bonds existing in the chemical material, determines and displays them, and facilitates external relevant inspection personnel to view and review.

[0065] Second embodiment

[0066] This embodiment mainly confirms the basic bond characteristics related to historical impurities based on historical data, thereby confirming the relevant impurities present in the chemical material and outputting them for display;

[0067] Step 5: Based on the determined impurity base keys, confirm the associated base keys of different impurities from the cloud database, and randomly combine the associated base keys to confirm the suspected impurity set. Then, perform absorption peak verification on the suspected impurity set, lock the impurity set with the highest suspected intensity, and display it. The specific method for locking is:

[0068] Based on the determined impurity base bonds, multiple groups of absorption peaks associated with the corresponding single group of impurity base bonds are locked, and the minimum absorption rate and the maximum absorption rate are locked from the multiple groups of absorption peaks to confirm the absorption rate range belonging to the corresponding impurity base bond (here, in several infrared spectra, there is a corresponding peak display of a single impurity base bond in each spectrum, so each absorption peak corresponds to a different absorption rate, so the minimum absorption rate and the maximum absorption rate can be locked from them, thereby locking the corresponding absorption rate range);

[0069] Confirm the associated base keys of different impurities from the cloud database (a single impurity generally has multiple associated base keys), randomly combine the multiple impurities, and if the associated base keys after the combination are consistent with the determined impurity base keys (that is, each base key has a comparison result, and the impurity base keys are not just one group, but generally there are multiple groups), the multiple impurities that meet the combination conditions are recorded as a suspicious impurity set;

[0070] If there is only one suspected impurity set, then this suspected impurity set is regarded as the impurity set with the highest suspected intensity and can be displayed directly (if there is only one set, then when combining, only one set is formed, which is the corresponding suspected intensity set);

[0071] If there are multiple groups of suspected impurity sets:

[0072] Lock the preset standard absorption rate of each associated base key in the suspicious impurity set. The standard absorption rate is a preset value, which is prepared in advance by the relevant operators, and the standard absorption rate of different associated base keys is recorded as BZ q , where q represents different associated base keys, and then lock the impurity base key that is consistent with the associated base key (that is, the two base keys are the same base key), and use the absorption rate interval of this impurity base key as the verification interval of this associated base key, and identify this BZ q The difference from the middle value of the calibration interval: the difference = |BZ q - middle value of the verification interval|, then confirm the differences associated with different associated base keys in this suspicious impurity set in turn and sum them up to lock the difference characteristics belonging to this suspicious impurity set. The middle value of the verification interval is the set of absorbances in the middle of the verification interval;

[0073] Confirm the difference features associated with different suspected impurity sets in sequence, and select the minimum value from the confirmed different difference features. The suspected impurity set associated with the minimum value is regarded as the impurity set with the highest suspected intensity and is directly displayed;

[0074] Specifically, here combined Figure 3, the impurity base bonds include "-CO", then this type of base bond has characteristic displays in different infrared spectra, that is, corresponding absorption peaks, and its different absorption peaks are associated with different absorption rates, so that the minimum absorption rate and the maximum absorption rate can be locked, such as Figure 3 shown.

[0075] Some of the data in the above formulas are dimensionless and numerically calculated. Meanwhile, the contents not described in detail in this specification belong to the prior art known to those skilled in the art.

[0076] The above embodiments are only used to illustrate the technical method of the present invention and are not intended to limit the present invention. Although the present invention has been described in detail with reference to the preferred embodiments, those skilled in the art should understand that the technical method of the present invention may be modified or replaced by equivalents without departing from the spirit and scope of the technical method of the present invention.

Claims

1. A method for analyzing the purity of chemical materials based on spectroscopy technology, characterized in that: The following steps are involved: Perform spectrum testing on chemical materials by changing the frequency of infrared light, confirm the different infrared spectra corresponding to different frequencies and calibrate the absorption peaks; Determine the change characteristics associated with the corresponding absorption peaks, then verify and check the change characteristics of different absorption peaks in different infrared spectra, and calibrate the same type of absorption peaks based on the verification results, in the following way: Based on the infrared spectrum where the absorption peak is located, the undetermined band where the corresponding absorption peak is located is determined, and the curved section where the front end of the absorption peak continuously trends downward and the curved section where the back end continuously trends upward in the undetermined band are regarded as the changing band of this absorption peak; Based on the change band determined by the corresponding absorption peak, the front part of the band of the absorption peak is recorded as the front band, and the back part of the band is recorded as the back band. The change characteristics of the adjacent nodes are identified from the front band. The wave number associated with the previous node of the adjacent node is recorded as B1, the absorption rate is recorded as X1, the wave number associated with the next node is recorded as B2, and the absorption rate is recorded as X2. The following method is used: change characteristic = |B1-B2| ÷ |X1-X2| to confirm the change characteristics of its adjacent nodes, and determine several change characteristics associated with the front band, select the minimum and maximum values from them, confirm the front characteristic interval of the front band, and use the same processing method to lock the back characteristic interval of the back band; According to the different infrared spectra corresponding to infrared light of different frequencies, the infrared spectra are sorted in order of frequency from small to large; From the sorted infrared spectra, identify the similar absorption peaks associated with adjacent infrared spectra: confirm the wave number BS associated with the absorption peak i-k , where i=1 represents the first set of infrared spectra, i=2 represents the second set of infrared spectra, and k represents different absorption peaks, which will satisfy: |BS 1-k -BS 2-k The two groups of absorption peaks with |≤Y1 are recorded as the peaks to be compared, and their Y1 value is 200cm -1 , perform the overlap check on the front characteristic intervals associated with the two peaks to be compared, lock the front overlap rate, then perform the overlap check on the back characteristic intervals associated with the two peaks to be compared, lock the back overlap rate, and record the two groups of peaks to be compared that meet the following conditions: (front overlap rate + back overlap rate) ÷ 2 ≥ 80% as similar absorption peaks; The absorption peak associated with the lowest absorbance among similar absorption peaks is recorded as the main peak. Based on the wavenumbers of the main peak and other absorption peaks, the wavelength of the corresponding base bond is locked to determine the wavelength set associated with this chemical material. The method is as follows: Prioritize the absorption rates associated with different absorption peaks of the same type, determine the minimum absorption rate, and take the absorption peak associated with the minimum absorption rate as the main peak of this type of absorption peak. Other absorption peaks of the same type that are not the main peak will not participate in the wavelength confirmation process. Wavelength confirmation process: lock the wavenumber associated with different absorption peaks in different infrared spectra, and use: wavelength = 1 ÷ wavenumber to confirm the wavelength associated with the corresponding absorption peak. The wavelength is the oscillation wavelength associated with the corresponding base bond; Sort the confirmed wavelengths in ascending order according to their values to confirm the wavelength set associated with the chemical material; Based on the wavelength set associated with this chemical material, combined with the base bond comparison table and the original base bonds of the chemical material, the impurity base bonds are locked and output for display. The specific method is as follows: Based on a preset base bond comparison table, confirm the base bond associated with the corresponding wavelength in the wavelength set: each different base bond in the base bond comparison table has a wavelength range, and when the corresponding wavelength belongs to the corresponding wavelength range, it means that the corresponding base bond exists; Based on the relevant ingredient list of the chemical material, confirm the original radical bonds existing in the chemical material, and record all the existing original radical bonds as an original radical bond group; It is identified whether the radical bond related to the wavelength set exists in the original radical bond group, and the radical bond existing in the original radical bond group is recorded as an existing radical bond, and the radical bond not existing in the original radical bond group is recorded as an impurity radical bond.

2. The method for analyzing the purity of chemical materials based on spectroscopy technology according to claim 1, characterized in that: The method of calibrating the absorption peaks from different infrared spectra is: Starting from the minimum value of the preset frequency range, the frequency of the infrared light is changed, and each change process is increased by 10THz. The infrared spectra generated by the infrared light of different frequencies during the test are confirmed; Then, the absorption peak is calibrated on the infrared spectrum: the relevant bands with absorbance lower than 80% in the infrared spectrum are recorded as undetermined bands, and the peak point is locked from the associated undetermined bands. The front curve of the peak point tends downward, and the back curve tends upward. The peak points associated with different undetermined bands are calibrated in turn and recorded as the absorption peaks associated with this infrared spectrum.

3. The method for analyzing the purity of chemical materials based on spectroscopy technology according to claim 1, characterized in that: The process of calibrating similar absorption peaks also includes: The similar absorption peaks in adjacent infrared spectra are confirmed and calibrated in turn from front to back. If the absorption peak in the corresponding infrared spectra belongs to the same absorption peak as the previous group of infrared spectra and simultaneously belongs to the same absorption peak as the next group of infrared spectra, then the absorption peaks in the consecutive infrared spectra are all similar absorption peaks.

4. The method for analyzing the purity of chemical materials based on spectroscopy technology according to claim 1, characterized in that: The following steps are also included: Based on the determined impurity base bonds, the associated base bonds of different impurities are confirmed from the cloud database, and the associated base bonds are randomly combined to confirm the suspected impurity set. The suspected impurity set is then verified for absorption peaks, and the impurity set with the highest suspected intensity is locked and displayed.

5. The method for analyzing the purity of chemical materials based on spectroscopy technology according to claim 4, characterized in that: The method of locking the impurity set with the highest suspected intensity is: Based on the determined impurity base bonds, multiple groups of absorption peaks associated with the corresponding single group of impurity base bonds are locked, and the minimum absorption rate and the maximum absorption rate are locked from the multiple groups of absorption peaks to confirm the absorption rate range belonging to the corresponding impurity base bonds; Confirm the associated base keys of different impurities from the cloud database, and randomly combine multiple impurities. If the associated base keys after the combination are consistent with the determined impurity base keys, the multiple impurities that meet the combination conditions are recorded as a suspicious impurity set; If there is only one suspected impurity set, this suspected impurity set is regarded as the impurity set with the highest suspected intensity and is displayed directly.

6. The method for analyzing the purity of chemical materials based on spectroscopy technology according to claim 5, characterized in that: If there are multiple groups of suspected impurity sets: Lock the preset standard absorption rate of each associated base bond in the suspicious impurity set, and its standard absorption rate is the preset value, and the standard absorption rate of different associated base bonds is recorded as BZ q , where q represents different associated base keys, and then lock the impurity base key that is consistent with the associated base key, and use the absorption rate interval of this impurity base key as the verification interval of this associated base key, and identify this BZ q The difference from the middle value of the calibration interval: the difference = |BZ q - middle value of the verification interval|, then confirm the differences associated with different associated base keys in this suspicious impurity set in turn and sum them up to lock the difference characteristics belonging to this suspicious impurity set. The middle value of the verification interval is the set of absorbances in the middle of the verification interval; The difference features associated with different suspected impurity sets are confirmed in turn, and the minimum value is selected from the confirmed different difference features. The suspected impurity set associated with the minimum value is regarded as the impurity set with the highest suspected intensity and is directly displayed.

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