A method and system for quantitative analysis of chemical bonds in carbon-based materials

Abstract

The application discloses a carbon-based material chemical bond quantitative analysis method and system, and the method comprises the following steps: analyzing each carbon-based material to obtain dry ash-free base value and carbon structure parameters; calculating the aromaticity calculation value f of each carbon-based material according to the obtained data a ; obtaining the carbon structure parameters of each carbon-based material through peak fitting, and calculating the aromaticity fitting value f of each carbon-based material according to the carbon structure parameters a ; performing regression analysis on the aromaticity fitting value f a and the calculation value f a , to obtain a correction carbon structure parameter test error regression equation of each carbon-based material; and correcting the corresponding carbon structure parameters according to the equal proportion method to obtain accurate carbon structure parameters of each carbon-based material. The application uses the regression equation correction of the inherent structure aromaticity to accurately quantify the carbon structure parameters of solid nuclear magnetic carbon spectrum, reduces the NOE effect, is not limited by the calibration material, has strong applicability, can accurately quantify the organic chemical bond, and effectively explains the thermochemical behavior of the carbon-based material.

Description

Technical Field

[0001] This invention relates to the field of quantitative analysis technology of carbon-based material structure, and in particular to a method and system for quantitative analysis of chemical bonds in carbon-based materials. Background Technology

[0002] Carbon-based materials such as coal and biomass are polymers with large molecular weights and complex structures. They are widely used as fuels and raw materials. Due to their complex structural characteristics, the evolution of their structures during application is difficult to determine accurately. This leads to negative values ​​in subsequent chemical bond analyses. Accurate determination of the chemical structure of these materials is crucial for the quantitative analysis of chemical bonds.

[0003] Modern analytical methods typically infer the structure of raw materials based on the structure of pyrolysis products, but this approach cannot accurately explain the behavior of the application process. Solid-state carbon NMR and infrared spectroscopy can well represent the structure of carbon-based materials, but solid-state carbon NMR is superior to the NOE effect, making it impossible to accurately determine the carbon structure. Currently, there are also techniques for quantitative analysis of coal structural parameters using solid-state carbon NMR. Standard curves are plotted based on the structural characteristics of known model compounds to correct for the carbon structure. This method can accurately determine the coal structure, but for lignite and weathered coal, it is difficult to find specific model compounds to calibrate their carbon structural characteristics, and calibration materials are very expensive. When characterizing the structure of lignite and weathered coal using this method, negative values ​​still appear, making it difficult to accurately quantify chemical bonds.

[0004] Therefore, there is an urgent need for a quantitative analysis method that is not limited by calibrators, has a wide range of applications, and is free from model limitations, so as to ensure high accuracy and applicability in the quantitative analysis of chemical bonds in carbon-based materials. Summary of the Invention

[0005] In view of the aforementioned existing problems, the present invention is proposed.

[0006] Therefore, this invention provides a quantitative analysis method and system for chemical bonds in carbon-based materials, which solves the problems of current methods either being limited by calibration materials and having weak applicability, or failing to accurately interpret the behavior of the application process and accurately determine the carbon structure.

[0007] To solve the above-mentioned technical problems, the present invention provides the following technical solution:

[0008] In a first aspect, the present invention provides a method for quantitative analysis of chemical bonds in carbon-based materials, comprising: performing elemental analysis, industrial analysis and solid-state NMR carbon spectroscopy analysis on various carbon-based materials to obtain dry ash-free numerical values ​​and carbon structure parameters;

[0009] The aromaticity values ​​f of each carbon-based material were calculated based on data obtained from elemental analysis and industrial analysis. a ′;

[0010] By peak fitting, the carbon structure parameters of each carbon-based material were obtained, and the aromaticity fitting value f of each carbon-based material was calculated based on the carbon structure parameters. a ;

[0011] The fitted value f of aroma a With the calculated value f a Regression analysis was performed to obtain the regression equations for the test errors of the modified carbon structural parameters of each carbon-based material.

[0012] Based on the regression equation for the test error of the modified carbon structural parameters, the corresponding carbon structural parameters are corrected using the proportional method to obtain the accurate carbon structural parameters of each carbon-based material.

[0013] As a preferred embodiment of the quantitative analysis method for chemical bonds in carbon-based materials according to the present invention, wherein: the aromaticity value f of each carbon-based material is calculated based on data obtained from elemental analysis and industrial analysis. a ′, represented as:

[0014] f a ′=(100-V daf )×1200 / 1240×C daf

[0015] Among them, f a ′ is the calculated aromaticity value, V daf For dry, ash-free volatile matter, C daf The carbon content is based on a dry, ash-free base.

[0016] As a preferred embodiment of the quantitative analysis method for chemical bonds in carbon-based materials according to the present invention, wherein: the aromaticity fitting value f a With the calculated value f a Regression analysis was performed to obtain the regression equations for the test errors of the corrected carbon structural parameters of each carbon-based material. The regression equations are expressed as follows:

[0017] f a ′=f(f a ) = af a +b

[0018] Where a and b are the parameters of the regression equation, R0 2 >0.99, R 2 The coefficient of determination for the regression equation.

[0019] As a preferred embodiment of the quantitative analysis method for chemical bonds in carbon-based materials according to the present invention, the method includes: correcting the corresponding carbon structure parameters according to the regression equation for the test error of the corrected carbon structure parameters using a proportional method, specifically including:

[0020] f al ′=fal / (f al +f a CC )×(100-f a ′)%

[0021] f a CC′ =f a CC / (f al +f a CC )×(100-f a ′)%

[0022] f al i′ =f al ′×f al i / f al (i = 3, 2, 1, *, O)

[0023] f a i′ =f a ′×f a i / f a (i = H, B, S, O)

[0024] Among them, f al ′ represents the calculated carbon content of fatty acids; f al f represents the fitted value of carbon adipose tissue; a CC f is the fitted value for carbonyl carbon; a CC′ For carbonyl carbon, the calculated value is f; al i′ Calculated carbon values ​​for various types of fats; f al i For each type of aliphatic carbon, the fitted values ​​are: 3-methyl carbon, 2-ethyl carbon, 1-tert-methyl carbon, *-primary carbon, and O-oxo-chain aliphatic carbon; f a i′ For calculated values ​​of various aromatic carbons; f a i The fitted values ​​are for various aromatic carbons, where H is a protonated aromatic carbon, B is a bridged aromatic carbon, S is an aliphatic aromatic carbon, and O is an oxygen-bonded aromatic carbon.

[0025] As a preferred embodiment of the quantitative analysis method for chemical bonds in carbon-based materials according to the present invention, the method further includes: after obtaining the accurate carbon structure parameters of each carbon-based material, verifying the carbon structure parameters, specifically including:

[0026] The relative error was calculated by comparing the H / C atomic ratio obtained from elemental analysis with the H / C ratio calculated from carbon structural parameters.

[0027] If the relative error is less than 20 percent, it means that accurate carbon structure parameters have been obtained;

[0028] If the relative error is greater than 20%, it indicates an error in elemental analysis or industrial analysis.

[0029] As a preferred embodiment of the quantitative analysis method for chemical bonds in carbon-based materials according to the present invention, the H / C ratio calculated using carbon structural parameters is expressed as follows:

[0030] H / C = f a H +f a CCH +f al *2.1

[0031] Among them, f a H For protonated aromatic carbon, f a CCH It is a carboxyl carbon, f al It represents fatty carbon.

[0032] As a preferred embodiment of the quantitative analysis method for chemical bonds in carbon-based materials according to the present invention, the method further includes: using the accurate carbon structure parameters of each carbon-based material obtained, combined with elemental analysis under dry ash-free conditions, to quantitatively analyze the number of chemical bonds Car-Car, Car-Cal, Cal-Cal, Car-O, Cal-O, Cal=O, Car-H, Cal-H and OH.

[0033] Secondly, the present invention provides a quantitative analysis system for chemical bonds in carbon-based materials, comprising: an analysis module for performing elemental analysis, industrial analysis and solid-state NMR carbon spectroscopy analysis on carbon-based materials to obtain dry ash-free numerical values ​​and carbon structure parameters;

[0034] The calculation module is used to calculate the aromaticity value f of carbon-based materials based on data obtained from elemental analysis and industrial analysis. a ′;

[0035] The fitting module is used to calculate the aromaticity fitting value f by fitting carbon structure parameters through peak segmentation. a ;

[0036] The regression analysis module is used to fit the aromaticity value f. a With the calculated value f a Regression analysis was performed to obtain the regression equation for the test error of the corrected carbon structural parameters.

[0037] The correction module is used to correct the corresponding carbon structure parameters according to the regression equation of the test error of the corrected carbon structure parameters by means of the proportional method, so as to obtain accurate carbon structure parameters.

[0038] Thirdly, the present invention provides a computing device, comprising:

[0039] Memory and processor;

[0040] The memory is used to store computer-executable instructions, and the processor is used to execute the computer-executable instructions, which, when executed by the processor, implement the steps of the method for quantitative analysis of chemical bonds in carbon-based materials.

[0041] Fourthly, the present invention provides a computer-readable storage medium storing computer-executable instructions that, when executed by a processor, implement the steps of the method for quantitative analysis of chemical bonds in carbon-based materials.

[0042] Compared with existing technologies, the beneficial effects of this invention are as follows: This invention utilizes the regression equation of the aromaticity of the structure itself for correction, accurately quantifies the carbon structure parameters of solid-state NMR carbon spectroscopy to reduce the NOE effect, and through verification of the H / C ratio, it can ensure that the relative error is less than 20%. Combined with elemental analysis data, the calculated nine chemical bond parameters can all be guaranteed to be greater than 0, which can accurately quantify organic chemical bonds, thereby explaining the thermochemical behavior of carbon-based materials. The method has high accuracy and effectively avoids the problems of difficult standard material calibration and difficult identification of complex carbon-based structures in the determination of carbon-based structures. Attached Figure Description

[0043] To more clearly illustrate the technical solutions of the embodiments of the present invention, the drawings used in the following description of the embodiments will be briefly introduced. Obviously, the drawings described below are only some embodiments of the present invention. For those skilled in the art, other drawings can be obtained based on these drawings without creative effort.

[0044] Figure 1 This is a schematic diagram of the overall process of a quantitative analysis method for chemical bonds in carbon-based materials according to an embodiment of the present invention;

[0045] Figure 2 This is a schematic diagram of the RS values ​​of solid-state carbon NMR spectrum peak fitting in the carbon-based material baking process according to an embodiment of the present invention for the quantitative analysis of chemical bonds in carbon-based materials.

[0046] Figure 3 This is a schematic diagram of RS-220 values ​​of solid-state carbon NMR spectrum peak fitting for carbon-based materials during baking, as described in the quantitative analysis method for chemical bonds in carbon-based materials according to the second embodiment of the present invention.

[0047] Figure 4This is a schematic diagram of RS-260 values ​​of solid-state carbon NMR spectrum peak fitting for carbon-based materials during baking, as described in the quantitative analysis method for chemical bonds in carbon-based materials according to the second embodiment of the present invention.

[0048] Figure 5 This is a schematic diagram of RS-300 values ​​for solid-state carbon NMR spectrum peak fitting of carbon-based materials during baking, as described in the quantitative analysis method for chemical bonds in carbon-based materials according to the second embodiment of the present invention.

[0049] Figure 6 This is a schematic diagram of the MS values ​​of solid-state carbon NMR spectrum peak fitting during the baking of carbon-based materials in the quantitative analysis method of chemical bonds in carbon-based materials according to the second embodiment of the present invention;

[0050] Figure 7 This is a schematic diagram of the MS-220 values ​​of solid-state carbon NMR spectrum peak fitting for carbon-based materials during baking, as described in the quantitative analysis method for chemical bonds in carbon-based materials according to the second embodiment of the present invention.

[0051] Figure 8 This is a schematic diagram of the MS-260 values ​​of solid-state carbon NMR spectrum peak fitting for carbon-based materials during baking, as described in the quantitative analysis method for chemical bonds in carbon-based materials according to the second embodiment of the present invention.

[0052] Figure 9 This is a schematic diagram of the MS-300 values ​​of solid-state carbon NMR spectrum peak fitting for carbon-based materials during baking, as described in the quantitative analysis method for chemical bonds in carbon-based materials according to the second embodiment of the present invention.

[0053] Figure 10 This is a schematic diagram illustrating the relative error analysis between the H / C ratio before correction and the H / C ratio in elemental analysis in the quantitative analysis method for chemical bonds of carbon-based materials described in the second embodiment of the present invention.

[0054] Figure 11 This is a schematic diagram illustrating the relative error analysis between the corrected H / C ratio and the elemental analysis H / C ratio in the quantitative analysis method for chemical bonds of carbon-based materials described in the second embodiment of the present invention. Detailed Implementation

[0055] To make the above-mentioned objects, features, and advantages of the present invention more apparent and understandable, specific embodiments of the present invention will be described in detail below with reference to the accompanying drawings. Obviously, the described embodiments are only a part of the embodiments of the present invention, and not all of them. Based on the embodiments of the present invention, all other embodiments obtained by those skilled in the art without creative effort should fall within the protection scope of the present invention.

[0056] Example 1

[0057] Reference Figure 1 As one embodiment of the present invention, a method for quantitative analysis of chemical bonds in carbon-based materials is provided, comprising:

[0058] S100: Elemental analysis, industrial analysis and solid-state NMR carbon spectroscopy analysis are performed on various carbon-based materials to obtain dry ash-free numerical values ​​and carbon structure parameters;

[0059] Specifically, various carbon-based materials can be crushed into powder below 60 mesh; industrial analysis of carbon-based materials is determined using standard methods, and the elemental composition of each element in the carbon-based materials is accurately determined using an elemental analyzer, converting volatile matter and elemental composition into dry ash-free values; the test conditions for solid-state nuclear magnetic resonance spectroscopy are Cp / TOSS, 13C resonance frequency matching the instrument, cross-polarization contact time of 1-2 ms, cycle delay time of 1-3 s, magic angle speed of 10-15 kHz, and rotor diameter of 2-4 mm.

[0060] S200: Calculate the aromaticity value f of each carbon-based material based on data obtained from elemental analysis and industrial analysis. a ′;

[0061] Furthermore, the calculated aroma value f a ′, represented as:

[0062] f a ′=(100-V daf )×1200 / 1240×C daf

[0063] Among them, f a ′ represents the calculated aromaticity value, V daf For dry, ash-free volatile matter, C daf The carbon content is based on a dry, ash-free base.

[0064] S300: By peak fitting, the carbon structure parameters of each carbon-based material are obtained, and the aromaticity fitting value f of each carbon-based material is calculated based on the carbon structure parameters. a ;

[0065] It should be noted that peak fitting is achieved using computational software based on the assignment of different types of carbon atom shifts.

[0066] S400: Fitted value for aromaticity f a With the calculated value f a Regression analysis was performed to obtain the regression equations for the test errors of the modified carbon structural parameters of each carbon-based material.

[0067] Furthermore, the regression equation is expressed as:

[0068] f a ′=f(f a ) = af a +b

[0069] Where a and b are the parameters of the regression equation, R0 2 >0.99, R 2 The coefficient of determination for the regression equation.

[0070] It should be noted that this regression equation is a first-order linear equation; the aromaticity fitted value f a With the calculated value f a Both directly reflect the aromaticity characteristics of carbon-based materials; correlating these two types of data can reveal the inherent consistency or differences between results obtained from different analytical methods. Furthermore, considering the inherent structure, using the regression equation of its own aromaticity for correction can accurately quantify the carbon structure parameters of solid-state NMR carbon spectroscopy and reduce the NOE effect. Compared to current methods that rely on calibrators, our method is not limited and can be universally applied to the determination of carbon-based materials.

[0071] S500: Based on the regression equation for the test error of the modified carbon structural parameters, the corresponding carbon structural parameters are corrected using the proportional method to obtain the accurate carbon structural parameters of each carbon-based material.

[0072] Furthermore, specifically including:

[0073] f al ′=f al / (f al +f a CC )×(100-f a ′)%

[0074] f a CC′ =f a CC / (f al +f a CC )×(100-f a ′)%

[0075] f al i′ =f al ′×f al i / f al (i = 3, 2, 1, *, O)

[0076] f a i′ =f a ′×f a i / f a (i = H, B, S, O)

[0077] Among them, f al ′ represents the calculated carbon content of fatty acids; f alf represents the fitted value of carbon adipose tissue; a CC f is the fitted value for carbonyl carbon; a CC′ For the carbonyl carbon, the calculated value is f. al i′ Calculated carbon values ​​for various types of fats; f al i For each type of aliphatic carbon, the fitted values ​​are: 3-methyl carbon, 2-ethyl carbon, 1-tert-methyl carbon, *-primary carbon, and O-oxo-chain aliphatic carbon; f a i′ For calculated values ​​of various aromatic carbons; f a i The fitted values ​​are for various aromatic carbons, where H is a protonated aromatic carbon, B is a bridged aromatic carbon, S is an aliphatic aromatic carbon, and O is an oxygen-bonded aromatic carbon.

[0078] S600: Furthermore, after obtaining the accurate carbon structure parameters of each carbon-based material, the carbon structure parameters are verified, specifically including:

[0079] The relative error was calculated by comparing the H / C atomic ratio obtained from elemental analysis with the H / C ratio calculated from carbon structural parameters.

[0080] If the relative error is less than 20 percent, it means that accurate carbon structure parameters have been obtained;

[0081] If the relative error is greater than 20%, it indicates an error in elemental analysis or industrial analysis.

[0082] It should be noted that verifying the carbon structure parameters can verify the accuracy of our technical solution from both positive and negative perspectives. A result less than 20% allows for accurate subsequent quantitative analysis, while a result greater than 20% indicates an error in the initial standard measurement. In such cases, simply repeating the standard measurement will avoid the problem and obtain accurate carbon structure parameters.

[0083] Furthermore, the calculation of the H / C ratio using carbon structural parameters is expressed as:

[0084] H / C = f a H +f a CCH +f al *2.1

[0085] Among them, f a H For protonated aromatic carbon, f a CCH It is a carboxyl carbon, f al It represents fatty carbon.

[0086] It should be noted that the S600 step is a verification step of the S100-S500 scheme, which can accurately determine the feasibility and accuracy of our scheme.

[0087] S700: Furthermore, using the accurate carbon structure parameters of each carbon-based material obtained, combined with elemental analysis under dry ash-free conditions, the number of chemical bonds of Car-Car, Car-Cal, Cal-Cal, Car-O, Cal-O, Cal=O, Car-H, Cal-H and OH are quantitatively analyzed.

[0088] Specifically, the number of the above nine chemical bonds can be quantitatively analyzed using the following formula:

[0089]

[0090]

[0091]

[0092]

[0093]

[0094]

[0095]

[0096]

[0097]

[0098] The total number of covalent bonds is:

[0099]

[0100] It should be noted that this step, through the S100-S600 process, ensures the accuracy of the carbon structure. After calculation using the above formula, it can be obtained that all nine chemical bond parameters of the carbon-based material are greater than 0, thereby achieving accurate quantitative analysis of organic chemical bonds and explaining the thermochemical behavior of carbon-based materials, effectively avoiding the problem of difficult standard substance calibration.

[0101] The above is a schematic scheme of a method for quantitative analysis of chemical bonds in carbon-based materials according to this embodiment. It should be noted that the technical solution of the system for quantitative analysis of chemical bonds in carbon-based materials and the technical solution of the method for quantitative analysis of chemical bonds in carbon-based materials described above belong to the same concept. For details not described in detail in the technical solution of the system for quantitative analysis of chemical bonds in carbon-based materials in this embodiment, please refer to the description of the technical solution of the method for quantitative analysis of chemical bonds in carbon-based materials described above.

[0102] The carbon-based material chemical bond quantitative analysis system in this embodiment includes:

[0103] The analysis module is used to perform elemental analysis, industrial analysis, and solid-state NMR spectroscopy analysis on carbon-based materials to obtain dry ash-free numerical values ​​and carbon structure parameters.

[0104] The calculation module is used to calculate the aromaticity value f of carbon-based materials based on data obtained from elemental analysis and industrial analysis. a ′;

[0105] The fitting module is used to calculate the aromaticity fitting value f by fitting carbon structure parameters through peak segmentation. a ;

[0106] The regression analysis module is used to fit the aromaticity value f. a With the calculated value f a Regression analysis was performed to obtain the regression equation for the test error of the corrected carbon structural parameters.

[0107] The correction module is used to correct the corresponding carbon structure parameters according to the regression equation of the test error of the corrected carbon structure parameters by means of the proportional method, so as to obtain accurate carbon structure parameters.

[0108] This embodiment also provides a computing device suitable for quantitative analysis of chemical bonds in carbon-based materials, including:

[0109] The system includes a memory and a processor. The memory stores computer-executable instructions, and the processor executes these instructions to implement the quantitative analysis method for chemical bonds in carbon-based materials as proposed in the above embodiments.

[0110] This embodiment also provides a storage medium storing a computer program that, when executed by a processor, implements the method for quantitative analysis of chemical bonds in carbon-based materials as proposed in the above embodiments.

[0111] The storage medium proposed in this embodiment and the method for quantitative analysis of chemical bonds in carbon-based materials proposed in the above embodiments belong to the same inventive concept. Technical details not described in detail in this embodiment can be found in the above embodiments, and this embodiment has the same beneficial effects as the above embodiments.

[0112] Based on the above description of the implementation methods, those skilled in the art can clearly understand that the present invention can be implemented using software and necessary general-purpose hardware, and of course, it can also be implemented using hardware, but in many cases the former is a better implementation method. Based on this understanding, the technical solution of the present invention, or the part that contributes to the prior art, can be embodied in the form of a software product. This computer software product can be stored in a computer-readable storage medium, such as a computer floppy disk, read-only memory (ROM), random access memory (RAM), flash memory, hard disk, or optical disk, etc., including several instructions to cause a computer device (which may be a personal computer, server, or network device, etc.) to execute the methods of the various embodiments of the present invention.

[0113] Example 2

[0114] Reference Figures 2-11 In conjunction with Tables 1-6, based on the previous embodiment, this embodiment provides an application example of a quantitative analysis method for chemical bonds in carbon-based materials.

[0115] Taking the structural analysis of straw, sawdust, and biomass roasted at 220, 260, and 300℃ as examples, the elemental and industrial analyses are shown in Table 1.

[0116] Table 1 Elemental Analysis and Industrial Analysis

[0117]

[0118] The structural parameters of solid-state carbon NMR spectra of straw, sawdust, and their roasted biomass are shown in Table 2.

[0119] Table 2 Carbon structure parameters

[0120]

[0121] Where: f al Indicates fatty carbon; f al 3 For methyl carbon; f al 2 It is ethyl carbon; f al 1 For tertiary carbon; f al * For quaternary carbon; f al O For oxygen-linked aliphatic carbons; f a It is aromatic carbon; f a H It is a protonated aromatic carbon; f a B Aromatic bridged carbon; f aS Fatty acids with aromatic carbon; f a O Oxy-linked aromatic carbon; f a CCH It is a carboxyl carbon; f a CCO It is either quinone carbon or carbonyl carbon.

[0122] via f a ′=(100-V daf )×1200 / 1240×C daf The calculated aromaticity to aromatic carbon ratio is shown in Table 3:

[0123] Table 3 Aromaticity and Aromatic Carbon Ratio

[0124]

[0125] The corrected equation obtained through linear regression is: f a ′=1.525×f a (R² = 0.998)

[0126] Figures 2-9 The figure shows the peak fitting of solid-state carbon NMR spectra of straw, sawdust, and the various indicators in Table 3 after baking at 220, 260, and 300℃.

[0127] According to the formula:

[0128] f al ′=f al / (f al +f a CC )×(100-f a ′)%

[0129] f a CC′ =f a CC / (f al +f a CC )×(100-f a ′)%

[0130] f al i′ =f al ′×f al i / f al (i = 3, 2, 1, *, O)

[0131] f a i′ =f a ′×f a i / f a (i = H, B, S, O)

[0132] The corrected carbon structure parameters obtained from the calculations are shown in Table 4.

[0133] Table 4. Corrected carbon structure parameters

[0134]

[0135] Verification: The corrected carbon structure parameters can be verified using the formula H / C = f a H +f a CCH +f al *2.1 Calculate the H / C ratio and compare it with the H / C ratio from elemental analysis. Error analysis is as follows: Figures 10-11 As shown, Figure 10 Before the correction, Figure 11 The H / C ratio calculated from the corrected carbon structure parameters is closer to the H / C ratio obtained from elemental analysis.

[0136] The same method was applied to chestnut shells (MAS), chestnut shells (PS), and their roasted products (PS-260), and the conclusions were equally applicable. The error analysis is shown in Table 5.

[0137] Table 5 Error Analysis Before and After Correction of Other Biomass Structures Table 5 Error Analysis Before and After Correction of Other Biomass Structures

[0138]

[0139] Quantitative analysis of chemical bonds: Quantitative analysis data of nine chemical bonds in biomass can be obtained through formula calculation, as shown in Table 6.

[0140] Table 6. Quantitative Analysis Data of Chemical Bonds (mmol)

[0141]

[0142]

[0143] As can be seen, the present invention, after verification, can accurately obtain quantitative data on the nine chemical bonds of carbon-based materials, achieving high accuracy without being limited by the standard.

[0144] It should be noted that the above embodiments are only used to illustrate the technical solutions of the present invention and not to limit it. Although the present invention has been described in detail with reference to preferred embodiments, those skilled in the art should understand that modifications or equivalent substitutions can be made to the technical solutions of the present invention without departing from the spirit and scope of the technical solutions of the present invention, and all such modifications or substitutions should be covered within the scope of the claims of the present invention.

Claims

1. A method for quantitative analysis of chemical bonds in carbon-based materials, characterized in that, include: Elemental analysis, industrial analysis, and solid-state carbon NMR spectroscopy were performed on various carbon-based materials to obtain dry ash-free numerical values ​​and carbon structure parameters. The aromaticity values ​​of each carbon-based material were calculated based on data obtained from elemental analysis and industrial analysis. , is represented as: in, This is the calculated value for aromaticity. It is a dry, ash-free volatile matter. The carbon content is based on dry, ash-free material. By peak fitting, the carbon structure parameters of each carbon-based material were obtained, and the aromaticity fitting value of each carbon-based material was calculated based on the carbon structure parameters. ; Fragrance fit value Compared with calculated values Regression analysis was performed to obtain the regression equations for the test errors of the corrected carbon structural parameters of each carbon-based material, which are expressed as follows: in, , R represents the parameters of the regression equation. 2 >0.99, R 2 The coefficient of determination for the regression equation; Based on the aforementioned regression equation for the test error of the corrected carbon structural parameters, the corresponding carbon structural parameters are corrected using the proportional method to obtain the accurate carbon structural parameters of each carbon-based material, specifically including: in, This is the calculated value for fatty carbon. The fitted value is the carbon adipose tissue value; The fitted value is for carbonyl carbon. Calculated value for carbonyl carbon; Calculated carbon values ​​for various types of fats; The fitted values ​​are for various aliphatic carbons, including 3-methyl carbon, 2-ethyl carbon, 1-tert-methyl carbon, *-primary carbon, and O-oxo-linked aliphatic carbon; Calculated values ​​for various aromatic carbons; The fitted values ​​are for various aromatic carbons, where H is a protonated aromatic carbon, B is a bridged aromatic carbon, S is an aliphatic aromatic carbon, and O is an oxygen-bonded aromatic carbon. After obtaining the accurate carbon structure parameters of each carbon-based material, the carbon structure parameters are verified, specifically including: The relative error was calculated by comparing the H / C atomic ratio obtained from elemental analysis with the H / C ratio calculated from carbon structural parameters. If the relative error is less than 20 percent, it means that accurate carbon structure parameters have been obtained; If the relative error is greater than 20%, it indicates an error in elemental analysis or industrial analysis.

2. The method for quantitative analysis of chemical bonds in carbon-based materials as described in claim 1, characterized in that, The H / C ratio calculated using carbon structural parameters is expressed as follows: in, It is a proton-aromatic carbon. It is a carboxyl carbon. It represents fatty carbon.

3. The method for quantitative analysis of chemical bonds in carbon-based materials as described in claim 2, characterized in that, Also includes: Using the accurate carbon structure parameters of each carbon-based material obtained, combined with elemental analysis under dry ash-free conditions, the number of chemical bonds in Car-Car, Car-Cal, Cal-Cal, Car-O, Cal-O, Cal=O, Car-H, Cal-H, and OH were quantitatively analyzed.

4. A system for quantitative analysis of chemical bonds in carbon-based materials using the method described in any one of claims 1-3, characterized in that, include: The analysis module is used to perform elemental analysis, industrial analysis, and solid-state NMR spectroscopy analysis on carbon-based materials to obtain dry ash-free numerical values ​​and carbon structure parameters. The calculation module is used to calculate the aromaticity value of carbon-based materials based on data obtained from elemental analysis and industrial analysis. ; The fitting module is used to calculate the aromaticity fitting value by fitting the carbon structure parameters through peak segmentation. ; The regression analysis module is used to fit the aromaticity values. Compared with calculated values Regression analysis was performed to obtain the regression equation for the test error of the corrected carbon structural parameters; The correction module is used to correct the corresponding carbon structure parameters according to the regression equation of the test error of the corrected carbon structure parameters by means of the proportional method, so as to obtain accurate carbon structure parameters.

5. An electronic device, comprising: Memory and processor; The memory is used to store computer-executable instructions, and the processor is used to execute the computer-executable instructions, which, when executed by the processor, implement the steps of the method for quantitative analysis of chemical bonds in carbon-based materials according to any one of claims 1 to 3.

6. A computer-readable storage medium storing computer-executable instructions that, when executed by a processor, implement the steps of the method for quantitative analysis of chemical bonds in carbon-based materials according to any one of claims 1 to 3.

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