Method and device for judging oxidability of chemicals

Abstract

The invention provides a method and a device for judging oxidability of chemicals. According to the method for judging the oxidability of the chemical, the oxidability of the chemical is quickly and accurately judged by combining the laser-induced breakdown spectroscopy and the oxygen enrichment index; the device for judging the oxidability of the chemical product is used for realizing the method for judging the oxidability of the chemical product. According to the device for judging the oxidability of the chemicals and the method for judging the oxidability of the chemicals, the oxidability of flaky, blocky and powdery solid chemicals and liquid chemicals can be accurately and quickly judged; the method has the advantages of being short in time consumption, small in chemical use amount, free of other chemical reagents, capable of judging the oxidability of the chemicals on site and the like, and can reduce the possibility of accidents caused by conceal of oxidizing solid / liquid as a powerful tool for inspection.

Description

Technical Field

[0001] This invention belongs to the field of chemical hazard identification and management technology, and particularly relates to a method and apparatus for determining the oxidizing properties of chemicals. Background Technology

[0002] With the continuous development of the chemical industry, chemicals are playing an increasingly important role in the social economy and are widely used in agriculture, pharmaceuticals, energy, construction and other fields.

[0003] The inherent hazardous properties of chemicals, such as flammability, explosiveness, and corrosivity, are typically represented by 16 physical hazard categories. Oxidizing solids / liquids, as an important physical hazard, refer to solids that are not necessarily flammable themselves, but usually release oxygen and may ignite or promote the combustion of other substances, such as ammonium persulfate, sodium persulfate, calcium nitrate, sodium nitrate, and ammonium nitrate. These substances significantly affect the total energy release during a fire / explosion, making accidents difficult to control. Therefore, rapid identification of the oxidizing properties of chemicals can effectively curb false reporting, concealment, or omissions, reducing the safety risks posed by oxidizing chemicals.

[0004] Traditional oxidizing tests are typically conducted in a laboratory setting, which is time-consuming and uses cellulose as the combustible material, along with various chemicals as references. Specifically, solid oxidizing properties are obtained by comparing the combustion rate of a mixture of the test substance and cellulose with that of a mixture of potassium bromate and cellulose (a standard). Liquid oxidizing properties are obtained by comparing the pressure rise rate of a mixture of the test substance and cellulose with that of a mixture of perchloric acid / sodium chlorate / nitric acid aqueous solution and cellulose (a standard). These testing methods require lengthy experimental procedures, use large amounts of sample and cellulose, and employ highly toxic potassium bromate and strongly acidic solutions, making rapid on-site screening impossible.

[0005] Utility model patent CN215218708U discloses a portable testing device for the flammability and oxidizing properties of solid hazardous chemicals. Integrating the oxidizing property testing device onto the experimental platform improves the on-site operability of the experiment to some extent; however, it still requires a large number of samples and reference materials to perform combustion experiments, making it difficult to rapidly determine the oxidizing properties of solids. Therefore, there is a need to develop a rapid and simple method for determining the oxidizing properties of chemicals. Summary of the Invention

[0006] The first aspect of this invention provides a method for determining the oxidizing property of a chemical, comprising the following steps:

[0007] Step S1. Measure the laser-induced breakdown spectrum of the chemical.

[0008] Step S2. Based on the laser-induced breakdown spectrum, automatically calculate the mass percentage of each element contained in the chemical substance;

[0009] Step S3. Based on the mass percentage of each element contained in the chemical, obtain the 100 g / mol content of each element cluster contained in the chemical, calculate the oxygen enrichment index contribution value of each element cluster according to formula (1), and further calculate the sum of the oxygen enrichment index contribution values ​​of all element clusters contained in the chemical, which is the oxygen enrichment index of the chemical.

[0010] Q k =a k A k Formula (1)

[0011] Where k represents any group of elements contained in the chemical, Q k A represents the oxygen enrichment index contribution value of element cluster k; k a represents the molar content of element cluster k, which is the sum of the molar contents of all elements contained in element cluster k; k The oxygen enrichment coefficient represents the element cluster k;

[0012] Step S4. Determine whether the chemical is a non-oxidizing chemical, a potentially oxidizing chemical, or an oxidizing chemical based on the oxygen enrichment index.

[0013] Optionally, in step S2, the chemical contains two or more of the following elements: O, S, Se, N, P, As, Bi, C, Si, Pb, H, F, Cl, Br, I, Li, Na, K, Cs, Be, Mg, Ca, Sr, Ba, Cu, Zn, Cd, Ag, Cr, Mn, Fe, Co, Ni, B, Al, Ga, In, Tl, Zr, Y, Rh, Sc, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu.

[0014] Optionally, in step S3, the elements contained in the chemical are divided into at least one of the following 14 element clusters:

[0015] The first element cluster includes O;

[0016] The second element cluster includes S and Se;

[0017] The third elemental cluster includes N, P, As, and Bi;

[0018] Group 4 includes C, Si, and Pb;

[0019] The fifth element cluster includes H;

[0020] The sixth element group includes F, Cl, Br, and I;

[0021] The seventh elemental group includes Li, Na, K, and Cs;

[0022] The 8th element cluster includes Be, Mg, Ca, Sr, and Ba;

[0023] Group 9 includes Cu, Zn, and Cd;

[0024] The 10th element cluster includes Ag;

[0025] Group 11 includes Cr, Mn, Fe, Co, and Ni;

[0026] The 12th element group includes B, Al, Ga, In, and Tl;

[0027] The 13th element cluster includes Zr, Y, and Rh;

[0028] The 14th element cluster includes Sc, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu.

[0029] Optionally, in step S3, the oxygen enrichment coefficients a1 to a of the 14 element clusters are... 14 The values ​​are 2, -6.1, 2.8, -4.3, -1, 0.9, -1, -1.9, -1.8, -0.9, -3.2, -2.7, -3.9, and -1.5.

[0030] Optionally, in step S2, the optimal spectral lines of each element contained in the chemical are selected from the laser-induced breakdown spectrum, and the mass percentage of each element in the chemical is automatically calculated by combining the spectral line intensity-element mass percentage standard curve of each element.

[0031] Optionally, in step S3, the molar content of each element cluster contained in the chemical is calculated according to the following steps:

[0032] The elements contained in the chemical are divided into at least one of the 14 element clusters. The mass percentage of each element in each element cluster is automatically converted to a percentage molar content according to formula (2). Then, the percentage molar content of each element cluster is automatically calculated according to formula (3).

[0033]

[0034] in, w represents the molar content per 100 grams of the m-th element contained in element cluster k of the chemical product. m% represents the mass percentage of the m-th element in the chemical product; M m A represents the relative atomic mass of the m-th element; k The molar content per hundred grams of element cluster k is represented; m is an integer from p to q, where p = 1 and q ≥ 1.

[0035] Optionally, in step S4, the criteria for determining the oxidizing property of the chemical are as follows:

[0036] When the oxygen enrichment index is ≤0, the chemical is determined to be a non-oxidizing chemical;

[0037] When 0 < oxygen enrichment index < 2, the chemical is determined to be a potentially oxidizing chemical.

[0038] When the oxygen enrichment index is ≥2, the chemical is determined to be an oxidizing chemical.

[0039] A second aspect of the present invention provides an apparatus for determining the oxidizing property of a chemical, used to implement the method for determining the oxidizing property of a chemical as described in the first aspect of the present invention; comprising:

[0040] Laser generator 100 is used to emit laser pulses;

[0041] The reflector 200 is used to reflect the laser pulse, causing it to irradiate the chemicals to generate plasma and emit a characteristic spectrum;

[0042] The laser-induced breakdown spectroscopy measuring device 300 is used to receive the characteristic spectrum to form the laser-induced breakdown spectrum of the chemical, and automatically calculate the mass percentage of each element contained in the chemical.

[0043] Computer 400, connected to the laser-induced breakdown spectroscopy measuring device 300, automatically calculates the 100 g / mol content and oxygen enrichment index contribution value of each element cluster contained in the chemical, the oxygen enrichment index of the chemical, and determines the oxidizing property of the chemical.

[0044] Optionally, the laser-induced breakdown spectroscopy measuring device includes:

[0045] Sample apparatus 310 is used to contain the chemical and provide a suitable environment for the laser-induced breakdown spectroscopy determination of the chemical;

[0046] The data acquisition, detection and processing device 320 is used to acquire and receive the characteristic spectrum, form the laser-induced breakdown spectrum of the chemical, select the best spectral lines of each element contained in the chemical from the laser-induced breakdown spectrum, and automatically calculate the mass percentage of each element contained in the chemical by combining the spectral line intensity-element mass percentage standard curve of each element.

[0047] A digital signal delay generator 330 is disposed between the laser generator 100 and the data acquisition, detection and processing device 320, and is used to enable the data acquisition, detection and processing device 320 to receive the characteristic spectrum at a certain delay time.

[0048] Optionally, the sample apparatus 310 includes a sample platform 311, a cup-shaped cover 312 inverted on the sample platform 311, and a vacuum device 313 connected to the cup-shaped cover 312; wherein the cup-shaped cover 312 inverted on the sample platform 311 forms a pressure-resistant sealing structure; the vacuum device 313 provides the required vacuum level for the laser-induced breakdown spectroscopy determination of the chemical.

[0049] Preferably, the cup-shaped cover 312 includes a bottom surface 312-1 and a side wall 312-2; the bottom surface 312-1 is a convex lens structure for focusing the laser pulse onto the surface of the chemical; and / or

[0050] The sample platform 311 is also equipped with a built-in refrigeration device for rapidly freezing the liquid chemicals to solidify them, so as to avoid the vapor or splashes generated by the liquid chemicals affecting the determination of the laser-induced breakdown spectrum.

[0051] Optionally, the data acquisition, detection, and processing device 320 includes a data acquisition device 321 and a data detection and processing device 322; wherein,

[0052] The data acquisition device 321 extends into the cup-shaped cover 312, acquires the characteristic spectrum, and transmits it to the data detection and processing device 322;

[0053] The data detection and processing device 322 detects the characteristic spectrum at a certain integration time to form the laser-induced breakdown spectrum of the chemical. It selects the optimal spectral lines of each element contained in the chemical from the laser-induced breakdown spectrum, and automatically calculates the mass percentage of each element contained in the chemical by combining the spectral line intensity-element mass percentage standard curve of each element and transmits it to the computer 400.

[0054] Optionally, the data detection and processing device 322 has a built-in NIST spectral library and matrix information from the laser-induced breakdown spectroscopy measurement, and selects the optimal spectral line from the laser-induced breakdown spectrum based on peak height and signal-to-noise ratio; and / or

[0055] The data detection and processing device 322 also has a built-in standard curve of spectral line intensity-element mass percentage for each element, which is used to calculate the mass percentage of each element contained in the chemical.

[0056] Optionally, the computer 400 stores the classification rules for the 14 element clusters, used to classify each element contained in the chemical product into at least one of the 14 element clusters; and / or

[0057] The computer 400 also stores formulas (2) and (3), which automatically convert the mass percentage of each element in each element cluster into a percentage molar content, and automatically calculate the percentage molar content of each element cluster; and / or

[0058] The computer 400 also stores the formula (1) and the oxygen enrichment coefficients a1 to a1 of the 14 element clusters. 14 The value of is used to calculate the oxygen enrichment index contribution value of each element cluster, and further calculate the oxygen enrichment index of the chemical; and / or

[0059] The computer 400 also stores standards for determining the oxidizing properties of the chemical, used to determine whether the chemical is a non-oxidizing chemical, a chemical that may have oxidizing properties, or an oxidizing chemical.

[0060] Optionally, the wavelength of the laser pulse is 1064 nm; and / or the pulse width is 6 to 10 ns; and / or the pulse frequency is 5 to 10 Hz; and / or the single pulse energy is 50 to 500 mJ; and / or

[0061] The focal length of the convex lens structure is 50 mm; and / or the focal point is 2 to 4 mm below the surface of the chemical.

[0062] The beneficial effects of this invention are:

[0063] To address the problems of existing oxidative testing methods, such as long testing cycles, large sample quantities, use of highly toxic potassium bromate and strongly acidic solutions, poor on-site operability, and inability to quickly screen the oxidative properties of chemicals, this invention provides a method and apparatus for determining the oxidative properties of chemicals. The method combines laser-induced breakdown spectroscopy (LAS) and oxygen enrichment index (OI) to achieve rapid determination of chemical oxidative properties. First, the chemical undergoes LAS measurement. Then, based on the measured LAS, the mass percentage of each element in the chemical is automatically calculated. Next, the mass percentage is converted to the molar content of each element cluster in the chemical. The OI contribution value of each element cluster is calculated according to the above formula (1). The sum of the OI contributions of all element clusters in the chemical is then calculated, which is the OI of the chemical. Finally, the OI of the chemical is used to determine whether it is a non-oxidizing chemical, a potentially oxidizing chemical, or an oxidizing chemical. The apparatus for determining the oxidizing property of a chemical is used to implement the method for determining the oxidizing property of a chemical. It includes a laser generator 100 for emitting laser pulses; a reflector 200 for reflecting the laser pulses to irradiate the chemical and generate plasma, emitting a characteristic spectrum; a laser-induced breakdown spectroscopy (LAS) measuring device 300 for receiving the characteristic spectrum to form the LAS spectrum of the chemical and automatically calculating the mass percentage of each element contained in the chemical; and a computer 400 connected to the LAS measuring device 300, which automatically calculates the per-gram-molar content of each element cluster contained in the chemical, the contribution value of the oxygen enrichment index, and the oxygen enrichment index of the chemical, thereby determining the oxidizing property of the chemical.The apparatus for determining the oxidizing property of chemicals provided by this invention, and the method for determining the oxidizing property of chemicals provided by this invention, can accurately and quickly determine the oxidizing property of solid chemicals in flake, block, and powder form, as well as liquid chemicals. For example, using the apparatus for determining the oxidizing property of chemicals provided by this invention, and the method for determining the oxidizing property of chemicals provided by this invention, 1) the determination results for known chemicals such as sodium peroxide powder, potassium chlorate flake sample, potassium chlorate solution (mass ratio 60% w), calcium carbonate powder, sodium chloride powder, sodium acetate powder, and glucose powder are as follows: sodium peroxide powder is an oxidizing chemical, potassium chlorate flake sample is an oxidizing chemical, potassium chlorate solution (mass ratio 60% w) is an oxidizing chemical, calcium carbonate powder is a non-oxidizing chemical, and sodium chloride powder is a non-oxidizing chemical. Sodium chloride powder, sodium acetate powder, and glucose powder are all non-oxidizing chemicals. These conclusions have been verified as correct by consulting the "Implementation Guidelines for the Catalogue of Hazardous Chemicals (2015 Edition)" or by the chemical oxidizing test methods specified in the UN's "Recommendations on the Transport of Dangerous Goods Manual of Tests and Criteria." 2) The oxidizing properties of unknown powder solid chemical X1, unknown particulate solid chemical X2, and unknown liquid chemical X3 are determined to be oxidizing chemicals. These conclusions have also been verified as correct by the chemical oxidizing test methods specified in the UN's "Recommendations on the Transport of Dangerous Goods Manual of Tests and Criteria." Furthermore, using the apparatus for determining the oxidizing property of chemicals provided by this invention, and following the method for determining the oxidizing property of chemicals provided by this invention, the determination time for potassium chlorate solution (60% w by mass), calcium carbonate powder, sodium chloride powder, sodium acetate powder, glucose powder, unknown solid chemical X1, unknown particulate chemical X2, and unknown liquid chemical X3 is within 1 to 8 minutes. The amount of chemical used is less than 1.5 mL (liquid chemical) and less than 1.6 g (solid chemical), without the need for other chemical reagents, allowing for rapid on-site determination of the oxidizing property of chemicals; while using the United Nations... The oxidizing test methods for chemicals specified in the "Recommendation Manual for Testing and Standards on the Transport of Dangerous Goods" take up to 1.5 hours for tests on potassium chlorate solution (60% w by mass), calcium carbonate powder, sodium chloride powder, sodium acetate powder, glucose powder, unknown solid chemical X1, unknown particulate chemical X2, and unknown liquid chemical X3. The amount of chemicals used is much higher than in this invention, and it uses more chemical reagents such as cellulose, the toxic chemical potassium bromate, strongly acidic nitric acid aqueous solution and perchloric acid aqueous solution, as well as pressure vessels with pressure sensors and other equipment to conduct tests in the laboratory.Therefore, the method and apparatus for determining the oxidizing property of chemicals provided by this invention overcome the shortcomings of traditional oxidizing property testing, such as long testing time, the use of multiple chemicals (some of which are toxic and corrosive) for auxiliary testing, and the difficulty of on-site testing. It can quickly determine the oxidizing property of chemicals with only a small amount of sample and one test, providing a powerful tool for inspection and helping to reduce the possibility of accidents caused by the concealment of oxidizing solids / liquids. Attached Figure Description

[0064] Figure 1 This is a schematic diagram illustrating the steps of a method for determining the oxidizing property of chemicals provided in an embodiment of the present invention;

[0065] Figure 2 This is a schematic diagram of the device for determining the oxidizing property of chemicals provided in an embodiment of the present invention. In this diagram, 100 represents a laser generator, 200 represents a reflection device, 300 represents a laser-induced breakdown spectroscopy (LAS) measuring device, and 400 represents a computer; 310 represents a sample device, 320 represents a data acquisition, detection, and processing device, and 330 represents a digital signal delay generator; 311 represents a sample platform, 312 represents a cup-shaped cover, 313 represents a vacuum device, 314 represents a vacuum degree measuring device, 315 represents a temperature measuring device, 321 represents a data acquisition device, and 322 represents a data detection and processing device; 312-1 represents a bottom surface, 312-2 represents a side wall, 313-1 represents a suction assembly, 321-1 represents an optical fiber, and 321-2 represents an optical fiber probe. Detailed Implementation

[0066] The technical solution of the present invention will now be clearly and completely described with reference to the accompanying drawings and embodiments. Obviously, the described embodiments are only some, not all, of the embodiments of the present invention. Based on the embodiments of the present invention, all other embodiments obtained by those skilled in the art without creative effort are within the scope of protection of the present invention.

[0067] Chemicals are widely used in agriculture, pharmaceuticals, energy, construction, and other fields, making significant contributions to the stability and development of the social economy. However, some chemicals (especially hazardous chemicals) possess inherent hazardous properties such as flammability, explosiveness, and corrosivity. Oxidizing solids / liquids, as an important physical hazard, refer to solids that may not be flammable themselves but usually release oxygen, potentially causing or promoting the combustion of other substances. These substances greatly affect the total energy release during a fire / explosion, making accidents difficult to control. Every year, numerous accidents caused by chemicals occur due to natural causes, mismanagement, false reporting, and concealment, resulting in significant loss of life and property. Testing the oxidizing properties of chemicals to identify their oxidizing characteristics and then treating them accordingly can help prevent dangerous accidents. However, existing chemical oxidizing property testing methods are mostly conducted in laboratories, which are time-consuming and require large sample volumes. They often use highly toxic potassium bromate and strongly acidic solutions, making on-site screening impossible. Even with solutions that integrate oxidizing property testing equipment onto laboratory benches, while improving on-site operability to some extent, large quantities of samples and reference materials are still needed for combustion experiments, making rapid determination of chemical oxidizing properties difficult. To address the aforementioned issues, this invention provides a method and apparatus for determining the oxidizing properties of chemicals. It requires less sample, eliminates the need for highly toxic substances such as potassium bromate, and avoids acidic solutions, enabling safe and rapid identification of the oxidizing properties of chemicals with better on-site adaptability.

[0068] The following is combined with Figure 1 , Figure 2 The present invention provides a detailed description of the steps of the method for determining the oxidizing property of chemicals and the structure of the apparatus for determining the oxidizing property of chemicals provided in the embodiments of the present invention.

[0069] like Figure 1 As shown, this embodiment of the invention provides a method for determining the oxidizing property of a chemical, comprising the following steps:

[0070] Step S1. Measure the laser-induced breakdown spectrum of the chemical.

[0071] Step S2. Based on the laser-induced breakdown spectrum, automatically calculate the mass percentage of each element contained in the chemical substance;

[0072] Step S3. Based on the mass percentage of each element contained in the chemical, obtain the 100 g / mol content of each element cluster contained in the chemical, calculate the oxygen enrichment index contribution value of each element cluster according to formula (1), and further calculate the sum of the oxygen enrichment index contribution values ​​of all element clusters contained in the chemical, which is the oxygen enrichment index of the chemical.

[0073] Q k =a k A kFormula (1)

[0074] Where k represents any group of elements contained in the chemical, Q k A represents the oxygen enrichment index contribution value of element cluster k; k a represents the molar content of element cluster k, which is the sum of the molar contents of all elements contained in element cluster k; k The oxygen enrichment coefficient represents the element cluster k;

[0075] Step S4. Determine whether the chemical is a non-oxidizing chemical, a potentially oxidizing chemical, or an oxidizing chemical based on the oxygen enrichment index.

[0076] The method for determining the oxidizing property of chemicals provided in this invention can determine the oxidizing property of both solid and liquid chemicals. Solid chemicals generally include flake chemicals, block chemicals, and powder chemicals. For flake and block chemicals, no pretreatment is required, and their oxidizing property can be directly determined by the method described above. For powder or liquid chemicals, pretreatment is required before the oxidizing property can be determined by the method described above.

[0077] According to an improvement of an embodiment of the present invention, in step S1, the pretreatment of the powdered chemical includes the following steps:

[0078] The powdered chemicals are compressed into tablet samples through a tableting process.

[0079] Preferably, during the tablet compression process, the pressure is 10 to 30 MPa; and / or maintained at the pressure for 2 to 6 minutes.

[0080] and / or

[0081] The sheet-like sample is a round sheet with a diameter of 20 mm and a thickness of 4 to 6 mm.

[0082] According to an improvement of an embodiment of the present invention, in step S1, the pretreatment of the liquid sample includes the following steps:

[0083] The liquid sample is rapidly cooled to solidify it. This avoids the possibility of vapors or splashes from the liquid chemicals affecting the determination of the laser-induced breakdown spectrum.

[0084] According to an improvement of an embodiment of the present invention, in step S1, the laser-induced breakdown spectrum of the chemical is measured in a vacuum environment to reduce the influence of the emitted light generated after the plasma of nitrogen and oxygen in the air.

[0085] Preferably, the vacuum environment refers to a vacuum level of less than 100 Pa.

[0086] According to an improvement of an embodiment of the present invention, in step S2, the chemical substance contains two or more of the following elements: O, S, Se, N, P, As, Bi, C, Si, Pb, H, F, Cl, Br, I, Li, Na, K, Cs, Be, Mg, Ca, Sr, Ba, Cu, Zn, Cd, Ag, Cr, Mn, Fe, Co, Ni, B, Al, Ga, In, Tl, Zr, Y, Rh, Sc, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu.

[0087] According to an improvement of an embodiment of the present invention, in step S3, the elements contained in the chemical substance are divided into at least one of the following 14 element clusters:

[0088] The first element cluster includes O;

[0089] The second element cluster includes S and Se;

[0090] The third elemental cluster includes N, P, As, and Bi;

[0091] Group 4 includes C, Si, and Pb;

[0092] The fifth element cluster includes H;

[0093] The sixth element group includes F, Cl, Br, and I;

[0094] The seventh elemental group includes Li, Na, K, and Cs;

[0095] The 8th element cluster includes Be, Mg, Ca, Sr, and Ba;

[0096] Group 9 includes Cu, Zn, and Cd;

[0097] The 10th element cluster includes Ag;

[0098] Group 11 includes Cr, Mn, Fe, Co, and Ni;

[0099] The 12th element group includes B, Al, Ga, In, and Tl;

[0100] The 13th element cluster includes Zr, Y, and Rh;

[0101] The 14th element cluster includes Sc, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu.

[0102] The inventors calculated the oxygen enrichment coefficient values ​​for the 14 element clusters mentioned above by statistically analyzing the valence states of common oxidizing solids / liquids and conventional chemicals, and by averaging and correcting the results.

[0103] According to an improvement of an embodiment of the present invention, in step S3, the oxygen enrichment coefficients a1 to a of the 14 element clusters are... 14 The values ​​are 2, -6.1, 2.8, -4.3, -1, 0.9, -1, -1.9, -1.8, -0.9, -3.2, -2.7, -3.9, and -1.5.

[0104] Based on the oxygen enrichment coefficients a1 to a of the above 14 element clusters 14 The value of , combined with the above formula (1), can be used to obtain the calculation formula for the oxygen enrichment index contribution value of the above 14 element clusters, as shown in Table 1.

[0105] Table 1. Calculation formulas for the oxygen enrichment index contribution values ​​of the above 14 element clusters.

[0106]

[0107] According to an improvement of an embodiment of the present invention, in step S2, the optimal spectral lines of each element contained in the chemical are selected from the laser-induced breakdown spectrum, and the mass percentage of each element contained in the chemical is automatically calculated by combining the spectral line intensity-element mass percentage standard curve of each element.

[0108] Preferably, the optimal spectral line is selected based on the NIST spectral library and the matrix used in the laser-induced breakdown spectroscopy measurement;

[0109] Preferably, the technical parameters involved in the selection of the optimal spectral line include peak height and signal-to-noise ratio;

[0110] Preferably, the signal-to-noise ratio is greater than 3.

[0111] In this embodiment of the invention, the NIST spectral library refers to the LIBS (Laser Induced Breakdown Spectroscopy) spectral library in the NIST (National Institute of Standards and Technology) database.

[0112] The mass percentage of each element in the chemical described in this embodiment of the invention refers to the percentage of the mass of each element relative to the total mass of the chemical, calculated as 100% of the chemical's mass. For example, if 100g of the chemical contains 2g of hydrogen, then the mass percentage of hydrogen in the chemical is 2%.

[0113] According to an improvement of an embodiment of the present invention, in step S3, the molar content of each element cluster contained in the chemical substance is calculated according to the following steps:

[0114] The elements contained in the chemical are divided into at least one of the 14 element clusters. The mass percentage of each element in each element cluster is automatically converted to a percentage molar content according to formula (2). Then, the percentage molar content of each element cluster is automatically calculated according to formula (3).

[0115]

[0116] in, w represents the molar content per 100 grams of the m-th element contained in element cluster k of the chemical product. m % represents the mass percentage of the m-th element in the chemical product; M m A represents the relative atomic mass of the m-th element; k The molar content per hundred grams of element cluster k is represented; m is an integer from p to q, where p = 1 and q ≥ 1.

[0117] The percentage molar content of each element in the chemical product described in this invention refers to the number of moles (or amount of substance) of each element contained in 100g of the chemical product. The percentage molar content of each element cluster in the chemical product refers to the sum of the percentage molar contents of each element contained in each element cluster in the chemical product. For example, if the chemical product contains S and Se, according to the classification rule of 14 element clusters, they are classified into the second element cluster mentioned above, that is, the second element cluster contains S and Se; if the number of moles of S in 100g of the chemical product is 1 and the number of moles of Se is 5, then the percentage molar contents of S and Se in the chemical product are 1 mol and 5 mol respectively, and the percentage molar content of the second element cluster is 6 mol.

[0118] Through extensive research, the inventors linked the oxygen enrichment index of chemicals with their oxidizing properties, using the oxygen enrichment index to characterize the oxidizing properties of chemicals.

[0119] According to an improvement of an embodiment of the present invention, in step S4, the criterion for determining the oxidizing property of the chemical is as follows:

[0120] When the oxygen enrichment index is ≤0, the chemical is determined to be a non-oxidizing chemical;

[0121] When 0 < oxygen enrichment index < 2, the chemical is determined to be a potentially oxidizing chemical.

[0122] When the oxygen enrichment index is ≥2, the chemical is determined to be an oxidizing chemical.

[0123] like Figure 2 As shown, another embodiment of the present invention provides an apparatus for determining the oxidizing property of a chemical, used to implement the method for determining the oxidizing property of a chemical as described in the above embodiments of the present invention; the apparatus for determining the oxidizing property of a chemical includes:

[0124] Laser generator 100 is used to emit laser pulses;

[0125] The reflector 200 is used to reflect the laser pulse, causing it to irradiate the chemicals to generate plasma and emit a characteristic spectrum;

[0126] The laser-induced breakdown spectroscopy measuring device 300 is used to receive the characteristic spectrum to form the laser-induced breakdown spectrum of the chemical, and automatically calculate the mass percentage of each element contained in the chemical.

[0127] Computer 400, connected to the laser-induced breakdown spectroscopy measuring device 300, automatically calculates the 100 g / mol content and oxygen enrichment index contribution value of each element cluster contained in the chemical, the oxygen enrichment index of the chemical, and determines the oxidizing property of the chemical.

[0128] According to an improvement of an embodiment of the present invention, the laser generating device 100 is a laser, which emits laser pulses with a wavelength of 1064 nm; and / or a pulse width of 6 to 10 ns; and / or a pulse frequency of 5 to 10 Hz; and / or a single pulse energy of 50 to 500 mJ.

[0129] The embodiments of the present invention provide the wavelength range, pulse width range, pulse frequency range, and single pulse energy range of the laser pulse based on the energy required to generate plasma from conventional oxidizing solids / liquids. In actual operation, the pulse width, pulse frequency, and single pulse energy of the laser pulse can be adjusted according to the type of chemical to be tested.

[0130] According to an improvement of an embodiment of the present invention, the reflecting device 200 is a reflector.

[0131] According to an improvement of an embodiment of the present invention, the laser-induced breakdown spectroscopy measuring device 300 includes:

[0132] Sample apparatus 310 is used to contain the chemical and provide a suitable environment for the laser-induced breakdown spectroscopy determination of the chemical;

[0133] The data acquisition, detection and processing device 320 is used to acquire and receive the characteristic spectrum, form the laser-induced breakdown spectrum of the chemical, select the best spectral lines of each element contained in the chemical from the laser-induced breakdown spectrum, and automatically calculate the mass percentage of each element contained in the chemical by combining the spectral line intensity-element mass percentage standard curve of each element.

[0134] A digital signal delay generator 330 is disposed between the laser generator 100 and the data acquisition, detection and processing device 320, and is used to enable the data acquisition, detection and processing device 320 to receive the characteristic spectrum at a certain delay time.

[0135] According to an improvement of an embodiment of the present invention, the sample apparatus 310 includes a sample platform 311, a cup-shaped cover 312 inverted on the sample platform 311, and a vacuum device 313 connected to the cup-shaped cover 312; wherein, the cup-shaped cover 312 inverted on the sample platform 311 forms a pressure-resistant sealing structure; and the vacuum device 313 provides the required vacuum level for the laser-induced breakdown spectroscopy determination of the chemical.

[0136] According to an improvement of an embodiment of the present invention, the sample device 310 further includes a vacuum measuring device 314 connected to the cup-shaped cover 312 for monitoring the vacuum level inside the sample device 310.

[0137] According to an improvement of an embodiment of the present invention, the sample device 310 further includes a temperature measuring device 315 connected to the cup-shaped cover 312 for monitoring the temperature inside the sample device 310.

[0138] According to an improvement of an embodiment of the present invention, the sample platform 311 is provided with a groove that matches the mouth of the cup-shaped cover 312. Figure 2 (Not shown in the image), and preferably a sealing assembly is also provided in the groove. Figure 2 (Not shown in the image) This improves the sealing performance of the pressure-resistant sealing structure formed by the cup-shaped cover 312 being inverted on the sample platform 311, thereby improving the overall airtightness of the sample device 310.

[0139] According to an improvement of an embodiment of the present invention, the sample platform 311 further includes a built-in cooling device. Figure 2 (Not shown, for example, a semiconductor cooling device) is used to rapidly freeze the liquid chemicals to solidify them, so as to avoid the vapor or splashes generated by the liquid chemicals affecting the determination of the laser-induced breakdown spectrum.

[0140] According to an improvement of an embodiment of the present invention, the cup-shaped cover 312 includes a bottom surface 312-1 and a side wall 312-2; the bottom surface 312-1 is a convex lens structure for focusing the laser pulse onto the surface of the chemical.

[0141] According to an improvement of an embodiment of the present invention, the cup-shaped cover 312 is obtained by fusing the bottom surface 312-1 and the side wall 312-2 of the convex lens structure at high temperature.

[0142] According to an improvement of an embodiment of the present invention, the focal length of the convex lens structure is 50 mm; and / or the focal point is 2 to 4 mm below the surface of the chemical.

[0143] According to an improvement of an embodiment of the present invention, the suction component 313-1 of the vacuum device 313 extends into the cup-shaped cover 312 to provide the required vacuum level for the laser-induced breakdown spectroscopy determination of the chemical; and / or

[0144] The vacuum measuring device 314 extends into the cup-shaped cover 312 to monitor the vacuum level inside the sample device 310; and / or

[0145] The temperature measuring device 315 extends into the cup-shaped cover 312 to monitor the vacuum level inside the sample device 310.

[0146] According to an improvement of an embodiment of the present invention, the sidewall 312-2 of the cup-shaped cover 312 is made of a transparent and pressure-resistant material (e.g., quartz), which makes the sample device 310 pressure-resistant and visible, making it convenient for testers to observe the state of the chemicals in the sample device 310.

[0147] According to an improvement of an embodiment of the present invention, the vacuum pumping device 313 is a miniature negative pressure vacuum pump with a one-way valve, and its suction component 313-1 is a suction tube; and / or

[0148] The vacuum degree measuring device 314 is a miniature vacuum gauge; and / or the temperature measuring device 315 is a thermometer.

[0149] According to an improvement of an embodiment of the present invention, the data acquisition, detection, and processing device 320 includes a data acquisition device 321 and a data detection and processing device 322; wherein,

[0150] The data acquisition device 321 extends into the cup-shaped cover 312, acquires the characteristic spectrum, and transmits it to the data detection and processing device 322;

[0151] The data detection and processing device 322 detects the characteristic spectrum under a certain integration time to form the laser-induced breakdown spectrum of the chemical. It selects the best spectral lines of each element contained in the chemical from the laser-induced breakdown spectrum, and automatically calculates the mass percentage of each element contained in the chemical by combining the spectral line intensity-element mass percentage standard curve of each element and transmits it to the computer 400.

[0152] Preferably, the integration time is 1 to 2 ms.

[0153] It should be noted that the suction component 313-1, vacuum degree measuring device 314, temperature measuring device 315, and data acquisition device 321 can extend into the inside of the cup-shaped cover 312 through several openings with sealing components provided on the side wall 312-2 of the cup-shaped cover 312, so as to achieve the purposes of vacuuming, vacuum degree monitoring, temperature detection, and characteristic spectrum acquisition respectively without affecting the overall airtightness of the sample device 310.

[0154] According to an improvement of an embodiment of the present invention, the data detection and processing device 322 has a built-in NIST spectral library and matrix information during the laser-induced breakdown spectroscopy measurement, and selects the optimal spectral line from the laser-induced breakdown spectrum by peak height and signal-to-noise ratio; and / or

[0155] The data detection and processing device 322 also has a built-in standard curve of spectral line intensity-element mass percentage for each element, which is used to calculate the mass percentage of each element contained in the chemical.

[0156] According to an improvement of an embodiment of the present invention, the data acquisition device 321 includes an optical fiber 321-1 and an optical fiber probe 321-2 connected to one end of the optical fiber; and / or

[0157] The data detection and processing device 322 is a laser-induced breakdown spectrometer.

[0158] According to an improvement of an embodiment of the present invention, the digital signal delay generating device 330 is a digital signal delay generator with a delay time of 0.5 to 3 μs.

[0159] According to an improvement of an embodiment of the present invention, the computer 400 stores the classification rules of the 14 element clusters, used to classify each element contained in the chemical product into at least one of the 14 element clusters; and / or

[0160] The computer 400 also stores formulas (2) and (3), which automatically convert the mass percentage of each element in each element cluster into a percentage molar content, and automatically calculate the percentage molar content of each element cluster; and / or

[0161] The computer 400 also stores the formula (1) and the oxygen enrichment coefficients a1 to a1 of the 14 element clusters. 14 The value of is used to calculate the oxygen enrichment index contribution value of each element cluster, and further calculate the oxygen enrichment index of the chemical; and / or

[0162] The computer 400 also stores standards for determining the oxidizing properties of the chemical, used to determine whether the chemical is a non-oxidizing chemical, a chemical that may have oxidizing properties, or an oxidizing chemical.

[0163] The following describes the working process of the apparatus for determining the oxidizing property of chemicals provided in the embodiments of the present invention, taking the determination of the oxidizing property of liquid chemicals as an example:

[0164] A suitable amount (e.g., 1.5 mL) of liquid chemical is placed on the sample platform of the sample apparatus. The liquid chemical is rapidly frozen into a solid state using the built-in semiconductor cooling device of the sample platform. The semiconductor cooling device is then turned off, and a miniature negative pressure vacuum pump with a one-way valve is turned on to evacuate the sample apparatus. The vacuum level and temperature inside the sample apparatus are detected using a miniature vacuum gauge and a thermometer. When the vacuum level inside the sample apparatus is detected to be lower than 100 Pa, laser-induced breakdown spectroscopy detection begins. First, the laser is turned on to emit laser pulses (wavelength 1064 nm, pulse width 6-10 nm). The laser pulse is set to a frequency of 5-10 Hz and a single pulse energy of 50-500 mJ. The angle of the reflector is adjusted to reflect the laser pulse, which is then focused by a convex lens structure (focal length 50 mm, focal point 2-4 mm below the chemical surface) on the bottom of the cup-shaped housing of the sample apparatus. The chemical surface is then irradiated by the laser pulse, causing the chemical to heat up and generate plasma, emitting a characteristic spectrum. Then, a digital signal delay generator, a laser-induced breakdown spectrometer, and a computer are activated. An optical fiber probe inserted into the cup-shaped housing of the sample apparatus collects chemical signals with a delay time of 0.5-3 μs. After the characteristic spectrum emitted by the product is transmitted to the laser-induced breakdown spectrometer via optical fiber, the laser-induced breakdown spectrometer detects the characteristic spectrum with an integration time of 1-2 ms to form the laser-induced breakdown spectrum of the chemical. Based on the NIST spectral library and matrix information built in it, the best spectral line is automatically selected from the laser-induced breakdown spectrum by peak height and signal-noise ratio. Then, combined with the standard curve of spectral intensity-element mass percentage of each element built in it, the mass percentage of each element contained in the chemical is automatically calculated and transmitted to the computer. After receiving the mass percentage of each element contained in the chemical, the computer first divides the elements contained in the chemical into element clusters according to the 14 group of element clusters stored in it. Then, it automatically converts the mass percentage of each element in each group of element clusters contained in the chemical into a percentage molar content according to the formula (2) stored in it. Then, it automatically calculates the percentage molar content of each group of element clusters contained in the chemical according to the formula (3) stored in it. Then, the computer combines the formula (1) stored in it and the oxygen enrichment coefficients a1 to a of the 14 group of element clusters. 14 The system automatically calculates the oxygen enrichment index contribution value of each element cluster contained in the chemical, and further automatically calculates the sum of the oxygen enrichment index contribution values ​​of all element clusters contained in the chemical to obtain the oxygen enrichment coefficient of the chemical. Finally, based on the standards for judging the oxidizing property of chemicals stored therein, and combined with the calculated oxygen enrichment index of the chemical, the computer automatically gives the oxidizing property judgment result of the chemical, such as the chemical being a non-oxidizing chemical, a chemical that may have oxidizing properties, or an oxidizing chemical.

[0165] For the determination of the oxidizing properties of flake or block-shaped chemicals, unlike liquid chemicals, it is not necessary to activate the built-in semiconductor cooling device in the sample platform of the sample device to rapidly freeze the chemicals. The rest of the process is the same as the determination process for the oxidizing properties of liquid chemicals.

[0166] For the determination of the oxidizing properties of powdered chemicals, unlike liquid chemicals, it is not necessary to turn on the built-in semiconductor cooling device in the sample platform of the sample device to rapidly freeze the chemicals. Instead, the powdered chemicals are pressed into disc-shaped samples with a diameter of 20 mm and a thickness of 4 to 6 mm under conditions of pressure of 10 to 30 MPa and pressure maintenance time of 2 to 6 minutes. The rest of the process is the same as the above-mentioned process for determining the oxidizing properties of liquid chemicals.

[0167] Several application examples are provided below, in which the oxidizing properties of solid and liquid chemicals are determined using the apparatus for determining the oxidizing properties of chemicals provided in the above embodiments of the present invention and the method for determining the oxidizing properties of chemicals provided in the above embodiments of the present invention.

[0168] Application Example 1 - Determining the Oxidizing Properties of Sodium Peroxide

[0169] S1. Determine the laser-induced breakdown spectrum of chemicals.

[0170] Sodium peroxide samples are white to pale yellow powders. They are prepared by compression at 15 MPa for 2 minutes to obtain circular sodium peroxide samples with a diameter of 20 mm and a thickness of 4 mm.

[0171] The prepared circular sodium peroxide sample was placed on the sample platform in the sample apparatus. A miniature negative pressure vacuum pump with a one-way valve was turned on to evacuate the sample apparatus. The vacuum level and temperature inside the sample apparatus were detected using a miniature vacuum gauge and a thermometer. When the vacuum level inside the sample apparatus was detected to be 80 Pa, the laser was first turned on to emit a laser pulse (wavelength 1064 nm, pulse width 8 ns, pulse frequency 10 Hz, single pulse energy 150 mJ). The angle of the reflector was adjusted to reflect the laser pulse so that it passed through the convex lens structure (focal length 50 mm, focal point on the circular sodium peroxide sample) on the bottom surface of the cup-shaped cover of the sample apparatus. The laser pulse (2 mm below the surface) is focused and irradiated onto the surface of a circular sodium peroxide sample. Under the irradiation of the laser pulse, the temperature of the circular sodium peroxide sample rises, generating plasma and emitting a characteristic spectrum. Then, a digital signal delay generator, a laser-induced breakdown spectrometer, and a computer are turned on. The fiber optic probe inserted into the cup-shaped cover of the sample device collects the characteristic spectrum emitted by the circular sodium peroxide sample with a delay time of 0.5-3 μs and transmits the characteristic spectrum to the laser-induced breakdown spectrometer via fiber optic cable. The laser-induced breakdown spectrometer detects the characteristic spectrum with an integration time of 1-2 ms to form the laser-induced breakdown spectrum of sodium peroxide.

[0172] S2. Based on the laser-induced breakdown spectrum, automatically calculate the mass percentage of each element contained in the chemical.

[0173] Based on the laser-induced breakdown spectrum of the formed sodium peroxide, and based on the NIST spectral library and matrix information built into the laser-induced breakdown spectrometer, the optimal spectral line is automatically selected from the laser-induced breakdown spectrum by means of peak height and signal-to-noise ratio. Among them, the spectral line of oxygen (O) is selected at 777.19 nm, and the spectral line of sodium (Na) is selected at 288.99 nm.

[0174] Next, by combining the standard curves of spectral line intensity and elemental mass percentage of each element, which are also built into the laser-induced breakdown spectrometer, the mass percentage of each element in sodium peroxide is automatically calculated: Na is 56.7%, O is 42.4%, and other impurity elements are 0.9%, and the mass percentage is transmitted to the computer.

[0175] S3. Based on the mass percentage of each element contained in the chemical, obtain the 100 g / mol content of each element cluster contained in the chemical, calculate the oxygen enrichment index contribution value of each element cluster according to formula (1), further calculate the sum of the oxygen enrichment index contribution values ​​of all element clusters contained in the chemical, and calculate the oxygen enrichment index of the chemical.

[0176] Q k =a k A k Formula (1)

[0177] Where k represents any group of elements contained in the chemical, Q k A represents the oxygen enrichment index contribution value of element cluster k; k a represents the molar content of element cluster k, which is the sum of the molar contents of all elements contained in element cluster k; k The oxygen enrichment coefficient represents the element cluster k.

[0178] Upon receiving a data showing that the mass percentage of Na in sodium peroxide is 56.7% and the mass percentage of O is 42.4%, the computer first classifies Na into the 7th element cluster and O into the 1st element cluster according to the 14 element clusters stored therein. Then, it automatically converts the mass percentages of Na and O into 100 g / mol content using formula (2) stored therein, and automatically calculates the 100 g / mol content of the 7th and 1st element clusters in sodium peroxide using formula (3) stored therein.

[0179]

[0180] in, w represents the molar content per 100 grams of the m-th element contained in element cluster k of the chemical product. m % represents the mass percentage of the m-th element in the chemical product; M m A represents the relative atomic mass of the m-th element; k The molar content of element cluster k represents the content of element cluster k in per 100 g / mol; m is an integer from p to q, where p = 1 and q ≥ 1; the molar contents of Na and O are calculated to be 2.47 mol and 2.65 mol respectively; correspondingly, the molar content of element cluster k in group 7 of sodium peroxide is 2.47 mol and the molar content of element cluster k in group 1 is 2.65 mol; then, the computer combines the formula (1) stored therein with the oxygen enrichment coefficients a1 to a of the 14 element clusters. 14 The values ​​of the oxygen enrichment coefficients (specifically, the oxygen enrichment coefficient a1 of the first group of elements is 2, and the oxygen enrichment coefficient a7 of the seventh group of elements is -1) are automatically calculated. The oxygen enrichment index contribution values ​​of the seventh group of elements and the first group of elements in sodium peroxide are -2.47 and 5.3, respectively. The sum of the oxygen enrichment index contribution values ​​of the seventh group of elements and the first group of elements in sodium peroxide is further calculated, and the oxygen enrichment index of sodium peroxide is -2.47 + 5.3 = 2.83.

[0181] S4. Based on the oxygen enrichment index, determine whether the chemical is a non-oxidizing chemical, a chemical that may have oxidizing properties, or an oxidizing chemical.

[0182] Based on the stored standards for determining the oxidizing properties of chemicals, and combined with the calculated oxygen enrichment index of sodium peroxide of 2.85, which meets the requirement of an oxygen enrichment index ≥ 2, the computer automatically determines that sodium peroxide is an oxidizing chemical.

[0183] Verification Example 1 - Consulting the "Implementation Guidelines for the Catalogue of Hazardous Chemicals (2015 Edition)," we find that sodium peroxide is an oxidizing solid, category 1. Application Example 2 - Determining the oxidizing power of potassium chlorate.

[0184] S1. Determine the laser-induced breakdown spectrum of chemicals.

[0185] Potassium chlorate samples are colorless, flaky crystals and do not require pressing or rapid freezing.

[0186] The potassium chlorate sheet sample was placed directly on the sample platform in the sample device for laser-induced breakdown spectrum determination. The specific steps and test parameters were the same as step S1 in application example 1, and the laser-induced breakdown spectrum of potassium chlorate was obtained.

[0187] S2. Based on the laser-induced breakdown spectrum, automatically calculate the mass percentage of each element contained in the chemical.

[0188] Based on the laser-induced breakdown spectrum of potassium chlorate, and using the NIST spectral library and matrix information built into the laser-induced breakdown spectrometer, the optimal spectral lines are automatically selected from the laser-induced breakdown spectrum by means of peak height and signal-to-noise ratio. Specifically, the oxygen (O) spectral line is selected at 777.19 nm, the potassium (K) spectral line is selected at 766.49 nm, and the chlorine (Cl) spectral line is selected at 837.59 nm.

[0189] Next, by combining the standard curves of spectral line intensity and elemental mass percentage of each element, which are also built into the laser-induced breakdown spectrometer, the mass percentage of each element in potassium chlorate is automatically calculated: K is 31.9%, Cl is 26.9%, and O is 41.2%, and the mass percentage is transmitted to the computer.

[0190] S3. Based on the mass percentage of each element contained in the chemical, obtain the 100 g / mol content of each element cluster contained in the chemical, calculate the oxygen enrichment index contribution value of each element cluster according to formula (1), further calculate the sum of the oxygen enrichment index contribution values ​​of all element clusters contained in the chemical, and calculate the oxygen enrichment index of the chemical.

[0191] Q k =a k A k Formula (1)

[0192] Where k represents any group of elements contained in the chemical, Q k A represents the oxygen enrichment index contribution value of element cluster k; k a represents the molar content of element cluster k, which is the sum of the molar contents of all elements contained in element cluster k; k The oxygen enrichment coefficient represents the element cluster k.

[0193] Upon receiving the mass percentages of K (31.9%), Cl (26.9%), and O (41.2%) in potassium chlorate, the computer first classifies O into the first element group, Cl into the sixth element group, and K into the seventh element group according to the 14 element group classification rules stored therein. Then, it automatically converts the mass percentages of K, Cl, and O into 100g / mol content using the above formula (2) stored therein, and automatically calculates the chlorate content using the above formula (3) stored therein. The molar contents of the first, sixth, and seventh element clusters in potassium are calculated to be 0.82 mol, 0.76 mol, and 2.57 mol for K, Cl, and O, respectively. The molar contents of the first, sixth, and seventh element clusters in potassium chlorate are 2.57 mol, 0.76 mol, and 0.82 mol, respectively. Then, the computer combines the above formula (1) stored therein with the oxygen enrichment coefficients a1 to a1 of the 14 element clusters. 14 The values ​​of the oxygen enrichment coefficients (specifically, the oxygen enrichment coefficient a1 of the first group of elements is 2, the oxygen enrichment coefficient a6 of the sixth group of elements is 0.9, and the oxygen enrichment coefficient a7 of the seventh group of elements is -1) are automatically calculated. The oxygen enrichment index contribution values ​​of the seventh group of elements, the sixth group of elements, and the first group of elements in potassium chlorate are -0.82, 0.68, and 5.14, respectively. The sum of the oxygen enrichment index contribution values ​​of the seventh group of elements, the sixth group of elements, and the first group of elements in potassium chlorate is further calculated, and the oxygen enrichment index of potassium chlorate is obtained as -0.82 + 0.68 + 5.14 = 5.00.

[0194] S4. Based on the oxygen enrichment index, determine whether the chemical is a non-oxidizing chemical, a chemical that may have oxidizing properties, or an oxidizing chemical.

[0195] Based on the stored standards for determining the oxidizing properties of chemicals, and combined with the calculated oxygen index of potassium chlorate of 5.00, which meets the requirement of an oxygen index ≥ 2, the computer automatically determines that potassium chlorate is an oxidizing chemical.

[0196] Verification Example 2 - According to the "Implementation Guidelines for the Catalogue of Hazardous Chemicals (2015 Edition)," potassium chlorate is an oxidizing solid, classified as Category 1.

[0197] Application Example 3 - Determining the oxidizing power of potassium chlorate solution (mass ratio 60% w).

[0198] S1. Determine the laser-induced breakdown spectrum of chemicals.

[0199] The potassium chlorate solution sample is a liquid. Before the test, 1.5 mL of potassium chlorate solution is placed on the sample platform of the sample device. The potassium chlorate solution is cooled by the built-in semiconductor cooling device of the sample platform to make it solid, thus obtaining a solid potassium chlorate solution sample.

[0200] Then, the laser-induced breakdown spectrum of the potassium chlorate solution solid sample was measured. The specific steps and test parameters were the same as step S1 in application example 1, and the laser-induced breakdown spectrum of the potassium chlorate solution was obtained.

[0201] S2. Based on the laser-induced breakdown spectrum, automatically calculate the mass percentage of each element contained in the chemical.

[0202] Based on the laser-induced breakdown spectrum of the formed potassium chlorate solution, and based on the NIST spectral library and matrix information built into the laser-induced breakdown spectrometer, the optimal spectral lines are automatically selected from the laser-induced breakdown spectrum by means of peak height and signal-to-noise ratio. Among them, the spectral line of oxygen (O) is selected at 777.19 nm, the spectral line of hydrogen (H) is selected at 656.27 nm, the spectral line of potassium (K) is selected at 766.49 nm, and the spectral line of chlorine (Cl) is selected at 837.59 nm.

[0203] Next, by combining the standard curves of spectral line intensity and elemental mass percentage of each element, which are also built into the laser-induced breakdown spectrometer, the mass percentage of each element in the potassium chlorate solution is automatically calculated: H is 4.7%, K is 19.4%, Cl is 16.8%, and O is 59.1%, and the mass percentage is transmitted to the computer.

[0204] S3. Based on the mass percentage of each element contained in the chemical, obtain the 100 g / mol content of each element cluster contained in the chemical, calculate the oxygen enrichment index contribution value of each element cluster according to formula (1), further calculate the sum of the oxygen enrichment index contribution values ​​of all element clusters contained in the chemical, and calculate the oxygen enrichment index of the chemical.

[0205] Q k =a k A k Formula (1)

[0206] Where k represents any group of elements contained in the chemical, Q k A represents the oxygen enrichment index contribution value of element cluster k; k a represents the molar content of element cluster k, which is the sum of the molar contents of all elements contained in element cluster k; k The oxygen enrichment coefficient represents the element cluster k.

[0207] Upon receiving the mass percentages of H (4.7%), K (19.4%), Cl (16.8%), and O (59.1%) in the potassium chlorate solution, the computer first classifies O into the first element cluster, H into the fifth, Cl into the sixth, and K into the seventh according to the 14 element clusters stored therein. Then, it automatically converts the mass percentages of O, H, Cl, and K into molar content using the above formula (2) stored therein, and automatically calculates the molar content of the first, fifth, sixth, and seventh element clusters in the potassium chlorate solution using the above formula (3) stored therein: the molar content of O, H, Cl, and K is 3.69, 4.7, 0.47, and 0.50 respectively. Next, the computer combines the above formula (1) stored therein with the oxygen enrichment coefficients a1 to a of the 14 element clusters. 14 The values ​​of the oxygen enrichment coefficients (specifically, the oxygen enrichment coefficient a1 of the first group of elements is 2, a5 of the fifth group of elements is -1, a6 of the sixth group of elements is 0.9, and a7 of the seventh group of elements is -1) are automatically calculated. The oxygen enrichment index contribution values ​​of the first, fifth, sixth, and seventh groups of elements in the potassium chlorate solution are 7.38, -4.7, 0.42, and -0.50, respectively. The sum of the oxygen enrichment index contribution values ​​of the first, fifth, sixth, and seventh groups of elements in the potassium chlorate solution is then calculated, resulting in an oxygen enrichment index of 7.38 - 4.7 + 0.42 - 0.50 = 2.60.

[0208] S4. Based on the oxygen enrichment index, determine whether the chemical is a non-oxidizing chemical, a chemical that may have oxidizing properties, or an oxidizing chemical.

[0209] Based on the stored standards for determining the oxidizing power of chemicals, the computer calculates the oxygen enrichment index of the potassium chlorate solution to be 2.60, which meets the requirement of an oxygen enrichment index ≥ 2, thus automatically classifying the potassium chlorate solution as an oxidizing chemical. The overall testing time is 8 minutes (mainly the rapid freezing time of the potassium chlorate solution), and the volume of potassium chlorate solution used is 1.5 mL. No other reagents are required, and the test can be conducted on-site.

[0210] Comparative Verification Example 1 - According to the United Nations Recommendations on the Transport of Dangerous Goods Manual of Tests and Criteria, a standard liquid oxidizing test (time-pressure test) was conducted on potassium chlorate solution (60% w by mass) at room temperature.

[0211] First, the average pressure rise time of standard samples (a 1:1 mixture of 65% nitric acid aqueous solution and cellulose, a 1:1 mixture of 40% sodium chlorate aqueous solution and cellulose, and a 1:1 mixture of 50% perchloric acid aqueous solution and cellulose) from 690 kPa to 2070 kPa was tested, and the results were 4877 ms, 2560 ms, and 128 ms, respectively. Second, the average pressure rise time of the 1:1 mixture of potassium chlorate solution and cellulose was tested, and the result was 4432 ms. This result is shorter than the average pressure rise time of the 1:1 mixture of 65% nitric acid aqueous solution and cellulose, but longer than the average pressure rise time of the 1:1 mixture of 40% sodium chlorate aqueous solution and cellulose. Therefore, the potassium chlorate solution (60% w by mass) was identified as an oxidizing liquid, category 3. This method uses multiple substances, including nitric acid aqueous solution, sodium chlorate aqueous solution, perchloric acid aqueous solution, and cellulose, for auxiliary testing. The testing steps are complex. It requires testing in a laboratory using equipment such as pressure vessels with pressure sensors. The testing time is 1.5 hours, which is time-consuming.

[0212] Application Example 4 - Determining the Oxidizing Properties of the Chemical Calcium Carbonate

[0213] S1. Determine the laser-induced breakdown spectrum of chemicals.

[0214] Calcium carbonate is a white powder. 1.5g of calcium carbonate powder was compressed into tablets and kept under a pressure of 15MPa for 2min to prepare a round calcium carbonate tablet with a diameter of 20mm and a thickness of 4mm.

[0215] The prepared circular calcium carbonate sample was placed on the sample platform in the sample device for laser-induced breakdown spectroscopy determination. The specific steps and test parameters were the same as step S1 in application example 1, and the laser-induced breakdown spectrum of calcium carbonate powder was obtained.

[0216] S2. Based on the laser-induced breakdown spectrum, automatically calculate the mass percentage of each element contained in the chemical.

[0217] Based on the laser-induced breakdown spectrum of the formed calcium carbonate powder, and based on the NIST spectral library and matrix information built into the laser-induced breakdown spectrometer, the optimal spectral lines are automatically selected from the laser-induced breakdown spectrum by means of peak height and signal-to-noise ratio. Among them, the spectral line of oxygen (O) is selected at 777.19 nm, the spectral line of carbon (C) is selected at 247.97 nm, and the spectral line of calcium (Ca) is selected at 393.36 nm.

[0218] Next, by combining the standard curves of spectral line intensity and elemental mass percentage of each element, which are also built into the laser-induced breakdown spectrometer, the mass percentage of each element in the calcium carbonate powder is automatically calculated: Ca is 40.7%, C is 12.3%, and O is 47.0%, and the mass percentage is transmitted to the computer.

[0219] S3. Based on the mass percentage of each element contained in the chemical, obtain the 100 g / mol content of each element cluster contained in the chemical, calculate the oxygen enrichment index contribution value of each element cluster according to formula (1), further calculate the sum of the oxygen enrichment index contribution values ​​of all element clusters contained in the chemical, and calculate the oxygen enrichment index of the chemical.

[0220] Q k =a k A k Formula (1)

[0221] Where k represents any group of elements contained in the chemical, Q k A represents the oxygen enrichment index contribution value of element cluster k; k a represents the molar content of element cluster k, which is the sum of the molar contents of all elements contained in element cluster k; k The oxygen enrichment coefficient represents the element cluster k.

[0222] Upon receiving calcium carbonate powder with a mass percentage of 40.7% Ca, 12.3% C, and 47.0% O, the computer first classifies O into the first element group, C into the fourth element group, and Ca into the eighth element group according to the 14 element group classification rules stored therein. Then, it automatically converts the mass percentages of O, C, and Ca into 100g / mol content using the above formula (2) stored therein, and automatically calculates the calcium carbonate content using the above formula (3) stored therein. The molar contents of the first, fourth, and eighth element clusters in the powder are calculated to be 2.94 mol, 1.02 mol, and 1.01 mol for O, C, and Ca, respectively. The molar contents of the first, fourth, and eighth element clusters in the calcium carbonate powder are 2.94 mol, 1.02 mol, and 1.01 mol, respectively. Then, the computer combines the above formula (1) stored therein with the oxygen enrichment coefficients a1 to a of the 14 element clusters. 14The values ​​of the oxygen enrichment coefficients (specifically, the oxygen enrichment coefficient a1 of the first group of elements is 2, the oxygen enrichment coefficient a4 of the fourth group of elements is -4.3, and the oxygen enrichment coefficient a8 of the eighth group of elements is -1.9) are automatically calculated. The oxygen enrichment index contribution values ​​of the first group of elements, the fourth group of elements, and the eighth group of elements contained in the calcium carbonate powder are 5.88, -4.386, and -1.919, respectively. The sum of the oxygen enrichment index contribution values ​​of the first group of elements, the fourth group of elements, and the eighth group of elements contained in the calcium carbonate powder is further calculated, and the oxygen enrichment index of the calcium carbonate powder is obtained as 5.88-4.386-1.919=-0.42.

[0223] S4. Based on the oxygen enrichment index, determine whether the chemical is a non-oxidizing chemical, a chemical that may have oxidizing properties, or an oxidizing chemical.

[0224] Based on stored standards for determining the oxidizing properties of chemicals, the computer calculates the oxygen enrichment index of calcium carbonate powder to be -0.42, which meets the requirement of an oxygen enrichment index < 0, thus automatically classifying calcium carbonate powder as a non-oxidizing chemical. The entire test takes 4 minutes (mainly for tablet preparation and laser-induced breakdown spectroscopy measurement), requires no other reagents, and can be performed on-site.

[0225] Comparative Verification Example 2 - Based on the United Nations Recommendations on the Transport of Dangerous Goods Manual of Tests and Criteria, a solid oxidizing test was conducted on calcium carbonate powder.

[0226] First, the average combustion time of three standard mixtures of potassium bromate and cellulose with mass ratios of 2:3, 3:2, and 3:7 was tested. Second, the average combustion time of two mixtures of calcium carbonate powder and cellulose with mass ratios of 4:1 and 1:1 was tested. The results showed that the average combustion time of the two mixtures with mass ratios of calcium carbonate powder and cellulose of 4:1 and 1:1 was longer than that of the standard mixture with a mass ratio of potassium bromate and cellulose of 3:7. Therefore, calcium carbonate powder is a non-oxidizing solid. This experiment used toxic potassium bromate and cellulose as auxiliary tests, the testing procedures were complex, and equipment such as a combustion device with an ignition wire was required, necessitating laboratory testing; the test took 1.5 hours, which was time-consuming.

[0227] Application Example 5 - Determining the Oxidizing Properties of Sodium Chloride

[0228] S1. Determine the laser-induced breakdown spectrum of chemicals.

[0229] Sodium chloride is a white powder. 1.6g of sodium chloride powder was compressed into tablets and kept under a pressure of 15MPa for 2min to prepare a circular sodium chloride tablet with a diameter of 20mm and a thickness of 4mm.

[0230] The prepared sodium chloride circular sample was placed on the sample platform in the sample device for laser-induced breakdown spectrum determination. The specific steps and test parameters were the same as step S1 in application example 1, and the laser-induced breakdown spectrum of sodium chloride powder was obtained.

[0231] S2. Based on the laser-induced breakdown spectrum, automatically calculate the mass percentage of each element contained in the chemical.

[0232] Based on the laser-induced breakdown spectrum of the formed sodium chloride powder, and based on the NIST spectral library and matrix information built into the laser-induced breakdown spectrometer, the optimal spectral line is automatically selected from the laser-induced breakdown spectrum by means of peak height and signal-to-noise ratio. The spectral line of sodium (Na) is selected at 288.99 nm, and the spectral line of chlorine (Cl) is selected at 837.59 nm.

[0233] Next, by combining the standard curves of spectral line intensity and elemental mass percentage of each element, which are also built into the laser-induced breakdown spectrometer, the mass percentage of each element in the sodium chloride powder is automatically calculated: Na is 38.5%, Cl is 60.3%, and other impurity elements are 1.2%, and the data is transmitted to the computer.

[0234] S3. Based on the mass percentage of each element contained in the chemical, obtain the 100 g / mol content of each element cluster contained in the chemical, calculate the oxygen enrichment index contribution value of each element cluster according to formula (1), further calculate the sum of the oxygen enrichment index contribution values ​​of all element clusters contained in the chemical, and calculate the oxygen enrichment index of the chemical.

[0235] Q k =a k A k Formula (1)

[0236] Where k represents any group of elements contained in the chemical, Q k A represents the oxygen enrichment index contribution value of element cluster k; k a represents the molar content of element cluster k, which is the sum of the molar contents of all elements contained in element cluster k; k The oxygen enrichment coefficient represents the element cluster k.

[0237] Upon receiving a sodium chloride powder containing 38.5% Na and 60.3% Cl by mass, the computer first classifies Na into the 7th element cluster and Cl into the 6th element cluster according to the 14 element clusters stored therein. Then, it automatically converts the mass percentages of Cl and Na into molar content using the above formula (2) stored therein, and automatically calculates the molar content of the 6th and 7th element clusters in the sodium chloride powder using the above formula (3) stored therein: the molar content of Cl and Na is calculated to be 1.70 mol and 1.67 mol respectively, and the molar content of the 6th and 7th element clusters in the sodium chloride powder is calculated to be 1.70 mol and 1.67 mol respectively. Next, the computer combines the above formula (1) stored therein with the oxygen enrichment coefficients a1 to a of the 14 element clusters. 14 The values ​​of a6 and a7 are used to calculate the oxygen enrichment index contribution values ​​of the sixth and seventh element clusters in the sodium chloride powder. Specifically, the oxygen enrichment coefficient a6 of the sixth element cluster is 0.9 and the oxygen enrichment coefficient a7 of the seventh element cluster is -1. The oxygen enrichment index contribution values ​​of the sixth and seventh element clusters in the sodium chloride powder are 1.53 and -1.67, respectively. The sum of the oxygen enrichment index contribution values ​​of the sixth and seventh element clusters in the sodium chloride powder is calculated to obtain the oxygen enrichment index of the sodium chloride powder as 1.53-1.67=-0.14.

[0238] S4. Based on the oxygen enrichment index, determine whether the chemical is a non-oxidizing chemical, a chemical that may have oxidizing properties, or an oxidizing chemical.

[0239] Based on the stored standards for determining the oxidizing properties of chemicals, the computer calculates the oxygen enrichment index of sodium chloride powder to be -0.14, which meets the requirement of an oxygen enrichment index < 0, thus automatically classifying sodium chloride powder as a non-oxidizing chemical. The entire test takes 4 minutes (mainly for tablet preparation and laser-induced breakdown spectroscopy measurement), requires no other reagents, and can be performed on-site.

[0240] Comparative Verification Example 3 - Based on the United Nations "Recommendations on the Transport of Dangerous Goods - Manual of Tests and Criteria", a solid oxidizing property test was conducted on sodium chloride powder.

[0241] First, the average combustion time of three standard mixtures of potassium bromate and cellulose at mass ratios of 2:3, 3:2, and 3:7 was tested. Second, the average combustion time of two mixtures of sodium chloride powder and cellulose at mass ratios of 4:1 and 1:1 was tested. The results showed that the average combustion time of the 4:1 and 1:1 mixtures of sodium chloride powder and cellulose was longer than that of the standard mixture at a mass ratio of 3:7, therefore sodium chloride powder is a non-oxidizing solid. This experiment used toxic potassium bromate and cellulose as auxiliary tests, the testing procedures were complex, and equipment such as a combustion device with an ignition wire was required, necessitating laboratory testing; the test lasted 1.5 hours, which was time-consuming.

[0242] Application Example 6 - Determining the Oxidizing Properties of Sodium Acetate

[0243] S1. Determine the laser-induced breakdown spectrum of chemicals.

[0244] Sodium acetate is a white powder. 1.3g of sodium acetate powder was compressed into tablets and kept under a pressure of 15MPa for 2min to prepare a circular sodium acetate tablet with a diameter of 20mm and a thickness of 4mm.

[0245] The prepared sodium acetate circular sample was placed on the sample platform in the sample device for laser-induced breakdown spectrum determination. The specific steps and test parameters were the same as step S1 in application example 1, and the laser-induced breakdown spectrum of sodium acetate powder was obtained.

[0246] S2. Based on the laser-induced breakdown spectrum, automatically calculate the mass percentage of each element contained in the chemical.

[0247] Based on the laser-induced breakdown spectrum of the formed sodium acetate powder, and based on the NIST spectral library and matrix information built into the laser-induced breakdown spectrometer, the optimal spectral lines are automatically selected from the laser-induced breakdown spectrum by means of peak height and signal-to-noise ratio. Among them, the spectral line of oxygen (O) is selected at 777.19 nm, the spectral line of carbon (C) is selected at 247.97 nm, the spectral line of sodium (Na) is selected at 288.99 nm, and the spectral line of hydrogen (H) is selected at 656.27 nm.

[0248] Next, by combining the standard curves of spectral line intensity and elemental mass percentage of each element, which are also built into the laser-induced breakdown spectrometer, the mass percentage of each element in the sodium acetate powder is automatically calculated: H is 3.6%, C is 29.4%, Na is 27.9%, and O is 39.1%, and the mass percentage is transmitted to the computer.

[0249] S3. Based on the mass percentage of each element contained in the chemical, obtain the 100 g / mol content of each element cluster contained in the chemical, calculate the oxygen enrichment index contribution value of each element cluster according to formula (1), further calculate the sum of the oxygen enrichment index contribution values ​​of all element clusters contained in the chemical, and calculate the oxygen enrichment index of the chemical.

[0250] Q k =a k A k Formula (1)

[0251] Where k represents any group of elements contained in the chemical, Q k A represents the oxygen enrichment index contribution value of element cluster k; k a represents the molar content of element cluster k, which is the sum of the molar contents of all elements contained in element cluster k; k The oxygen enrichment coefficient represents the element cluster k.

[0252] Upon receiving the mass percentages of O (39.1%), C (29.4%), H (3.6%), and Na (27.9%) in sodium acetate, the computer first classifies O into group 1, C into group 4, H into group 5, and Na into group 7 according to the 14 element clusters stored therein. Then, it automatically converts the mass percentages of O, C, H, and Na into molar content using the above formula (2) stored therein, and automatically calculates the content of sodium acetate powder using the above formula (3) stored therein. The molar contents of the first, fourth, fifth, and seventh element clusters are calculated to be 2.44 mol, 2.45 mol, 3.60 mol, and 1.21 mol respectively. The molar contents of the first, fourth, fifth, and seventh element clusters in the sodium acetate powder are also calculated to be 2.44 mol, 2.45 mol, 3.60 mol, and 1.21 mol respectively. Then, the computer combines the above formula (1) stored therein with the oxygen enrichment coefficients a1 to a of the 14 element clusters. 14The values ​​of the oxygen enrichment coefficients (specifically, the oxygen enrichment coefficient a1 of the first group of elements is 2, the oxygen enrichment coefficient a4 of the fourth group of elements is -4.3, the oxygen enrichment coefficient a5 of the fifth group of elements is -1, and the oxygen enrichment coefficient a7 of the seventh group of elements is -1) are automatically calculated. The oxygen enrichment index contribution values ​​of the first group of elements, the fourth group of elements, the fifth group of elements, and the seventh group of elements contained in the sodium acetate powder are 4.88, -10.535, -3.60, and -1.21, respectively. The sum of the oxygen enrichment index contribution values ​​of the first group of elements, the fourth group of elements, the fifth group of elements, and the seventh group of elements contained in the sodium acetate powder is 4.88 - 10.535 - 3.6 - 1.21 = -10.5.

[0253] S4. Based on the oxygen enrichment index, determine whether the chemical is a non-oxidizing chemical, a chemical that may have oxidizing properties, or an oxidizing chemical.

[0254] Based on the stored standards for determining the oxidizing properties of chemicals, the computer calculates the oxygen enrichment index of sodium acetate powder to be -10.5, which meets the requirement of an oxygen enrichment index < 0. Therefore, the computer automatically determines that sodium acetate powder is a non-oxidizing chemical. The entire test takes 4 minutes (mainly for tablet preparation and laser-induced breakdown spectroscopy measurement), requires no other reagents, and can be performed on-site.

[0255] Comparative Verification Example 4 - Based on the United Nations' "Recommendations on the Transport of Dangerous Goods - Manual of Tests and Criteria", a solid oxidizing property test was conducted on sodium acetate powder.

[0256] First, the average combustion time of three standard mixtures of potassium bromate and cellulose at mass ratios of 2:3, 3:2, and 3:7 was tested. Second, the average combustion time of two mixtures of sodium acetate powder and cellulose at mass ratios of 4:1 and 1:1 was tested. The results showed that the average combustion time of the 4:1 and 1:1 mixtures of sodium acetate powder and cellulose was longer than that of the standard mixture at a mass ratio of 3:7, therefore sodium acetate powder is a non-oxidizing solid. This experiment used toxic potassium bromate and cellulose as auxiliary tests, the testing procedures were complex, and equipment such as a combustion device with an ignition wire was required, necessitating laboratory testing; the test lasted 1.5 hours, which was time-consuming.

[0257] Application Example 7 - Determining the Oxidizing Properties of the Chemical Glucose

[0258] S1. Determine the laser-induced breakdown spectrum of chemicals.

[0259] Glucose is a white powder. 1.3g of glucose powder was compressed into tablets and kept under a pressure of 15MPa for 2min to prepare a round glucose tablet with a diameter of 20mm and a thickness of 4mm.

[0260] The prepared glucose circular sample was placed on the sample platform in the sample device for laser-induced breakdown spectrum determination. The specific steps and test parameters were the same as step S1 in application example 1, and the laser-induced breakdown spectrum of glucose powder was obtained.

[0261] S2. Based on the laser-induced breakdown spectrum, automatically calculate the mass percentage of each element contained in the chemical.

[0262] Based on the laser-induced breakdown spectrum of the formed glucose powder, and based on the NIST spectral library and matrix information built into the laser-induced breakdown spectrometer, the optimal spectral lines are automatically selected from the laser-induced breakdown spectrum by means of peak height and signal-to-noise ratio. Among them, the spectral line of oxygen (O) is selected at 777.19 nm, the spectral line of carbon (C) is selected at 247.97 nm, and the spectral line of hydrogen (H) is selected at 656.27 nm.

[0263] Next, by combining the standard curves of spectral intensity and elemental mass percentage of each element, which are also built into the laser-induced breakdown spectrometer, the mass percentage of each element in the calcium carbonate powder is automatically calculated: H is 6.9%, C is 38.8%, and O is 54.3%, and the mass percentage is transmitted to the computer.

[0264] S3. Based on the mass percentage of each element contained in the chemical, obtain the 100 g / mol content of each element cluster contained in the chemical, calculate the oxygen enrichment index contribution value of each element cluster according to formula (1), further calculate the sum of the oxygen enrichment index contribution values ​​of all element clusters contained in the chemical, and calculate the oxygen enrichment index of the chemical.

[0265] Q k =a k A k Formula (1)

[0266] Where k represents any group of elements contained in the chemical, Q k A represents the oxygen enrichment index contribution value of element cluster k; k a represents the molar content of element cluster k, which is the sum of the molar contents of all elements contained in element cluster k; k The oxygen enrichment coefficient represents the element cluster k.

[0267] After receiving the mass percentages of O, C, and H in the glucose powder, the computer first classifies O into the first element cluster, C into the fourth element cluster, and H into the fifth element cluster according to the 14 element clusters stored therein. Then, it automatically converts the mass percentages of O, C, and H into 100 g / mol content using the above formula (2) stored therein, and automatically calculates the 100 g / mol content of the first, fourth, and fifth element clusters in the glucose powder using the above formula (3) stored therein: the converted 100 g / mol contents of O, C, and H are 3.39 mol, 3.23 mol, and 6.90 mol respectively, and the 100 g / mol contents of the first, fourth, and fifth element clusters in the glucose powder are 3.39 mol, 3.23 mol, and 6.90 mol respectively. Next, the computer combines the above formula (1) stored therein with the oxygen enrichment coefficients a1 to a of the 14 element clusters. 14 The values ​​of the oxygen enrichment coefficients (specifically, the oxygen enrichment coefficient a1 of the first group of elements is 2, the oxygen enrichment coefficient a4 of the fourth group of elements is -4.3, and the oxygen enrichment coefficient a5 of the fifth group of elements is -1) are automatically calculated. The oxygen enrichment index contribution values ​​of the first group of elements, the fourth group of elements, and the fifth group of elements contained in the calcium carbonate powder are 6.78, -13.889, and -6.9, respectively. The sum of the oxygen enrichment index contribution values ​​of the first group of elements, the fourth group of elements, and the fifth group of elements contained in the glucose powder is further calculated, and the oxygen enrichment index of the calcium carbonate powder is obtained as 6.78-13.889-6.9=-14.00.

[0268] S4. Based on the oxygen enrichment index, determine whether the chemical is a non-oxidizing chemical, a chemical that may have oxidizing properties, or an oxidizing chemical.

[0269] Based on the stored standards for determining the oxidizing properties of chemicals, the computer calculates the oxygen enrichment index of glucose powder to be -14.00, which meets the requirement of an oxygen enrichment index < 0, automatically classifying the glucose powder as a non-oxidizing chemical. The entire test takes 4 minutes (mainly for tablet preparation and laser-induced breakdown spectroscopy measurement), requires no other reagents, and can be performed on-site.

[0270] Comparative Verification Example 5 - Based on the United Nations "Recommendations on the Transport of Dangerous Goods - Manual of Tests and Criteria", a solid oxidizing property test was conducted on glucose powder.

[0271] First, the average combustion time of three standard mixtures of potassium bromate and cellulose with mass ratios of 2:3, 3:2, and 3:7 was tested. Second, the average combustion time of two mixtures of glucose powder and cellulose with mass ratios of 4:1 and 1:1 was tested. The results showed that the average combustion time of the glucose powder and cellulose mixtures with mass ratios of 4:1 and 1:1 was longer than that of the standard mixture with a mass ratio of 3:7, therefore glucose powder is a non-oxidizing solid. This experiment used toxic potassium bromate and cellulose as auxiliary tests, the testing procedures were complex, and equipment such as a combustion device with an ignition wire was required, necessitating laboratory testing; the test took 1.5 hours, which was time-consuming.

[0272] Application Example 8 - Determining the oxidizing property of an unknown powdered or solid chemical X1

[0273] S1. Determine the laser-induced breakdown spectrum of chemicals.

[0274] Chemical X1 is a white powder. 1.3g of X1 powder was compressed into tablets and maintained at 15MPa for 2min to prepare a circular X1 tablet with a diameter of 20mm and a thickness of 4mm.

[0275] The prepared circular sample X1 was placed on the sample platform in the sample device for laser-induced breakdown spectrum determination. The specific steps and test parameters were the same as step S1 in application example 1, and the laser-induced breakdown spectrum of powder solid chemical X1 was obtained.

[0276] S2. Based on the laser-induced breakdown spectrum, automatically calculate the mass percentage of each element contained in the chemical.

[0277] Based on the laser-induced breakdown spectrum of the formed powdered solid chemical X1, and based on the NIST spectral library and matrix information built into the laser-induced breakdown spectrometer, the optimal spectral lines are automatically selected from the laser-induced breakdown spectrum by means of peak height and signal-to-noise ratio. Among them, the spectral line of oxygen (O) is selected at 777.19 nm, the spectral line of chlorine (Cl) is selected at 837.59 nm, the spectral line of potassium (K) is selected at 766.49 nm, and the spectral line of barium (Ba) is selected at 455.41 nm.

[0278] Next, by combining the standard curves of spectral line intensity and elemental mass percentage of each element, which are also built into the laser-induced breakdown spectrometer, the mass percentage of each element in powder solid chemical X1 is automatically calculated: K is 25.6%, Cl is 14.7%, O is 31.3%, Ba is 28.4%, and the mass percentage is transmitted to the computer.

[0279] S3. Based on the mass percentage of each element contained in the chemical, obtain the 100 g / mol content of each element cluster contained in the chemical, calculate the oxygen enrichment index contribution value of each element cluster according to formula (1), further calculate the sum of the oxygen enrichment index contribution values ​​of all element clusters contained in the chemical, and calculate the oxygen enrichment index of the chemical.

[0280] Q k =a k A k Formula (1)

[0281] Where k represents any group of elements contained in the chemical, Q k A represents the oxygen enrichment index contribution value of element cluster k; k a represents the molar content of element cluster k, which is the sum of the molar contents of all elements contained in element cluster k; k The oxygen enrichment coefficient represents the element cluster k.

[0282] Upon receiving the mass percentages of O, Cl, K, and Ba in powdered solid chemical X1, the computer first classifies O into the first element cluster, Cl into the sixth element cluster, K into the seventh element cluster, and Ba into the eighth element cluster according to the 14 element clusters stored therein. Then, it automatically converts the mass percentages of O, Cl, K, and Ba into 100 g / mol content using the above formula (2) stored therein, and automatically calculates the first, sixth, and seventh element clusters contained in the calcium carbonate powder using the above formula (3) stored therein. The molar contents of the first, sixth, seventh, and eighth element clusters in the powdered solid chemical X1 are calculated as follows: The molar contents of O, Cl, K, and Ba are 1.95 mol, 0.41 mol, 0.65 mol, and 0.21 mol, respectively. Then, the computer combines the above formula (1) stored therein with the oxygen enrichment coefficients a1 to a1 of the 14 element clusters. 14The values ​​of the oxygen enrichment coefficients (specifically, the oxygen enrichment coefficient a1 of the first group of elements is 2, the oxygen enrichment coefficient a6 of the sixth group of elements is 0.9, the oxygen enrichment coefficient a7 of the seventh group of elements is -1, and the oxygen enrichment coefficient a8 of the eighth group of elements is -1.9) are automatically calculated. The oxygen enrichment index contribution values ​​of the first, sixth, seventh, and eighth group of elements contained in the powdered solid chemical product X1 are 3.9, 0.369, -0.65, and -0.399, respectively. The sum of the oxygen enrichment index contribution values ​​of the first, sixth, seventh, and eighth group of elements contained in the powdered solid chemical product X1 is further calculated, and the oxygen enrichment index of the powdered solid chemical product X1 is 3.9 + 0.369 - 0.65 - 0.399 = 3.22.

[0283] S4. Based on the oxygen enrichment index, determine whether the chemical is a non-oxidizing chemical, a chemical that may have oxidizing properties, or an oxidizing chemical.

[0284] Based on the stored standards for determining the oxidizing power of chemicals, and combined with the calculated oxygen enrichment index of powdered solid chemical X1 (3.22), which meets the requirement of an oxygen enrichment index ≥ 2, the computer automatically determines that powdered solid chemical X1 is an oxidizing chemical. The overall testing time is 4 minutes (mainly for tablet preparation time and laser-induced breakdown spectroscopy measurement time), requiring no other reagents and can be performed on-site.

[0285] Comparative Verification Example 6 - Based on the United Nations Recommendations on the Transport of Dangerous Goods, a solid oxidizing property test was conducted on powdered solid chemical X1.

[0286] First, the average combustion time of three standard mixtures of potassium bromate and cellulose with mass ratios of 2:3, 3:2, and 3:7 was tested. Second, the average combustion time of two mixtures of chemical X1 and cellulose with mass ratios of 4:1 and 1:1 was tested. The results showed that the average combustion times of the mixtures of chemical X1 and cellulose with mass ratios of 4:1 and 1:1 (2.8s and 3.2s respectively) were both shorter than the average combustion time of the standard mixture of potassium bromate and cellulose with a mass ratio of 3:2 (4.1s). Therefore, chemical X1 is an oxidizing solid, category 1. This experiment used toxic potassium bromate and cellulose as auxiliary tests, the testing procedures were complex, and equipment such as a combustion device with an ignition wire was used, requiring testing in a laboratory; the testing time was 1.5 hours, which was time-consuming.

[0287] Application Example 9 - Determining the oxidizing power of an unknown particulate solid chemical X2

[0288] S1. Determine the laser-induced breakdown spectrum of chemicals.

[0289] The particles of granular solid chemical X2 are relatively large, and it is considered to be a blocky solid. Therefore, there is no need for tableting or rapid freezing.

[0290] Take 0.8g of particulate solid chemical X2 and place it on the sample platform in the sample device to determine the laser-induced breakdown spectrum. The specific steps and test parameters are the same as step S1 in application example 1 to obtain the laser-induced breakdown spectrum of particulate solid chemical X2.

[0291] S2. Based on the laser-induced breakdown spectrum, automatically calculate the mass percentage of each element contained in the chemical.

[0292] Based on the laser-induced breakdown spectrum of the formed particulate solid chemical X2, and based on the NIST spectral library and matrix information built into the laser-induced breakdown spectrometer, the optimal spectral lines are automatically selected from the laser-induced breakdown spectrum by peak height and signal-to-noise ratio. Specifically, the spectral line for oxygen (O) is selected at 777.19 nm, the spectral line for sulfur (S) is selected at 921.28 nm, the spectral line for nitrogen (N) is selected at 746.83 nm, the spectral line for potassium (K) is selected at 766.49 nm, and the spectral line for calcium (Ca) is selected at 393.36 nm.

[0293] Next, by combining the standard curves of spectral line intensity and elemental mass percentage of each element, which are also built into the laser-induced breakdown spectrometer, the mass percentage of each element in potassium chlorate is automatically calculated: K is 14.5%, Ca is 12.0%, O is 53.2%, S is 11.8%, and N is 8.5%, and the mass percentage is transmitted to the computer.

[0294] S3. Based on the mass percentage of each element contained in the chemical, obtain the 100 g / mol content of each element cluster contained in the chemical, calculate the oxygen enrichment index contribution value of each element cluster according to formula (1), further calculate the sum of the oxygen enrichment index contribution values ​​of all element clusters contained in the chemical, and calculate the oxygen enrichment index of the chemical.

[0295] Q k =a k A k Formula (1)

[0296] Where k represents any group of elements contained in the chemical, Q k A represents the oxygen enrichment index contribution value of element cluster k; k a represents the molar content of element cluster k, which is the sum of the molar contents of all elements contained in element cluster k; k The oxygen enrichment coefficient represents the element cluster k.

[0297] Upon receiving the mass percentages of O, S, N, K, and Ca in granular solid chemical X2, the computer first classifies O into the first element cluster, S into the second, N into the third, K into the seventh, and Ca into the eighth according to the 14 element clusters stored therein. Then, it automatically converts the mass percentages of O, S, N, K, and Ca into 100g / mol content using the above formula (2) stored therein, and automatically calculates the first, second, third, and seventh element clusters contained in granular solid chemical X2 using the above formula (3) stored therein. The molar contents of the first and eighth element clusters are calculated as follows: the molar contents of O, S, N, K, and Ca are 3.33 mol, 0.37 mol, 0.61 mol, 0.37 mol, and 0.30 mol, respectively. The molar contents of the first, second, third, seventh, and eighth element clusters in the granular solid chemical X2 are 3.33 mol, 0.37 mol, 0.61 mol, 0.37 mol, and 0.30 mol, respectively. Then, the computer combines the above formula (1) stored therein with the oxygen enrichment coefficients a1 to a of the 14 element clusters. 14 The values ​​of the oxygen enrichment coefficients (specifically, the oxygen enrichment coefficient a1 of the first group of elements is 2, the oxygen enrichment coefficient a2 of the second group of elements is -6.1, the oxygen enrichment coefficient a3 of the third group of elements is 2.8, the oxygen enrichment coefficient a7 of the seventh group of elements is -1, and the oxygen enrichment coefficient a8 of the eighth group of elements is -1.9) are automatically calculated to obtain the oxygen enrichment coefficients of the first, second, third, seventh, and eighth group of elements contained in the particulate solid chemical X2. The oxygen enrichment index contributions were 6.66, -2.257, 1.708, -0.37, and -0.57, respectively. Further calculation of the sum of the oxygen enrichment index contributions of the first, second, third, seventh, and eighth element clusters contained in the particulate solid chemical X2 yielded an oxygen enrichment index of 6.66 - 2.257 + 1.708 - 0.37 - 0.57 = 5.17.

[0298] S4. Based on the oxygen enrichment index, determine whether the chemical is a non-oxidizing chemical, a chemical that may have oxidizing properties, or an oxidizing chemical.

[0299] Based on the stored standards for determining the oxidizing power of chemicals, and considering the calculated oxygen enrichment index of particulate solid chemical X2 (5.17), which meets the requirement of an oxygen enrichment index ≥ 2, the computer automatically determines that particulate solid chemical X2 is an oxidizing chemical. The entire test takes 1 minute (mainly for laser-induced breakdown spectroscopy measurement) and requires no other reagents.

[0300] Comparative Verification Example 7 - Based on the United Nations Recommendations on the Transport of Dangerous Goods Manual of Tests and Criteria, conduct a solid oxidizing property test on chemical X2.

[0301] First, the average combustion time of three standard mixtures of potassium bromate and cellulose with mass ratios of 2:3, 3:2, and 3:7 was tested. Second, the average combustion time of two mixtures of chemical X2 and cellulose with mass ratios of 4:1 and 1:1 was tested. The results showed that the average combustion times of the 4:1 and 1:1 mixtures of chemical X2 and cellulose (76 s and 83 s respectively) were both shorter than the average combustion time of the standard mixture of potassium bromate and cellulose with a mass ratio of 3:7 (105 s), but longer than the average combustion time of the standard mixture of potassium bromate and cellulose with a mass ratio of 2:3 (52 s). Therefore, chemical X2 is an oxidizing solid, category 2. This experiment used toxic potassium bromate and cellulose as auxiliary tests, and the testing procedures were complex; it required a combustion device with an ignition wire and other equipment, necessitating laboratory testing; the testing time was 1.5 hours, which was time-consuming.

[0302] Application Example 10 - Determining the oxidizing power of an unknown liquid chemical X3

[0303] S1. Determine the laser-induced breakdown spectrum of chemicals.

[0304] Before testing, 1.5 mL of liquid chemical X3 was placed on the sample platform of the sample device. The liquid chemical X3 was cooled by the built-in semiconductor cooling device of the sample platform to make it solid, thus obtaining a solid sample of liquid chemical X3.

[0305] Then, the laser-induced breakdown spectrum of the solid sample of liquid chemical X3 was determined. The specific steps and test parameters were the same as those in step S1 of application example 1, and the laser-induced breakdown spectrum of liquid chemical X3 was obtained.

[0306] S2. Based on the laser-induced breakdown spectrum, automatically calculate the mass percentage of each element contained in the chemical.

[0307] Based on the laser-induced breakdown spectrum of the formed potassium chlorate solution, and based on the NIST spectral library and matrix information built into the laser-induced breakdown spectrometer, the optimal spectral lines are automatically selected from the laser-induced breakdown spectrum by means of peak height and signal-to-noise ratio. Among them, the spectral line of oxygen (O) is selected at 777.19 nm, the spectral line of hydrogen (H) is selected at 656.27 nm, and the spectral line of chlorine (Cl) is selected at 837.59 nm.

[0308] Next, by combining the standard curves of spectral line intensity and elemental mass percentage of each element, which are also built into the laser-induced breakdown spectrometer, the mass percentage of each element in the potassium chlorate solution is automatically calculated: H is 6.0%, Cl is 19.1%, and O is 74.9%, and the mass percentage is transmitted to the computer.

[0309] S3. Based on the mass percentage of each element contained in the chemical, obtain the 100 g / mol content of each element cluster contained in the chemical, calculate the oxygen enrichment index contribution value of each element cluster according to formula (1), further calculate the sum of the oxygen enrichment index contribution values ​​of all element clusters contained in the chemical, and calculate the oxygen enrichment index of the chemical.

[0310] Q k =a k A k Formula (1)

[0311] Where k represents any group of elements contained in the chemical, Q k A represents the oxygen enrichment index contribution value of element cluster k; k a represents the molar content of element cluster k, which is the sum of the molar contents of all elements contained in element cluster k; k The oxygen enrichment coefficient represents the element cluster k.

[0312] Upon receiving the mass percentages of O, H, and Cl in liquid chemical X3, the computer first classifies O into the first element cluster, H into the fifth element cluster, and Cl into the sixth element cluster according to the 14 element clusters stored therein. Then, it automatically converts the mass percentages of O, H, and Cl into 100gmol content using the above formula (2) stored therein, and automatically calculates the 100gmol content of the first, fifth, and sixth element clusters in liquid chemical X3 using the above formula (3) stored therein: the 100gmol concentrations of O, H, and Cl are 4.68mol, 6.00mol, and 0.54mol respectively, and the 100gmol contents of the first, fifth, and sixth element clusters in liquid chemical X3 are 4.68mol, 6.00mol, and 0.54mol respectively. Next, the computer combines the above formula (1) stored therein with the oxygen enrichment coefficients a1 to a of the 14 element clusters. 14The values ​​of the oxygen enrichment coefficients (specifically, the oxygen enrichment coefficient a1 of the first group of elements is 2, the oxygen enrichment coefficient a5 of the fifth group of elements is -1, and the oxygen enrichment coefficient a6 of the sixth group of elements is 0.9) are automatically calculated. The oxygen enrichment index contribution values ​​of the first, fifth, and sixth group of elements contained in liquid chemical X3 are 9.36, -6.00, and 0.486, respectively. The sum of the oxygen enrichment index contribution values ​​of the first, fifth, and sixth group of elements contained in liquid chemical X3 is further calculated, and the oxygen enrichment index of liquid chemical X3 is 9.36-6.00+0.486=3.85.

[0313] S4. Based on the oxygen enrichment index, determine whether the chemical is a non-oxidizing chemical, a chemical that may have oxidizing properties, or an oxidizing chemical.

[0314] Based on the stored standards for determining the oxidizing power of chemicals, the computer calculates the oxygen enrichment index of liquid chemical X3 to be 3.85, which meets the requirement of an oxygen enrichment index ≥ 2. Therefore, liquid chemical X3 is automatically determined to be an oxidizing chemical. The overall testing time is 8 minutes (mainly the rapid freezing time of liquid chemical X3), the amount of potassium chlorate solution used is 1.5 mL, no other reagents are required, and the test can be performed on-site.

[0315] Comparative Verification Example 8 - According to the UN Recommendations on the Transport of Dangerous Goods Manual of Tests and Criteria, a standard liquid oxidizing test (time-pressure test) was conducted on chemical liquid X3 at room temperature.

[0316] First, the average pressure rise time of standard samples (a 1:1 mixture of 65% nitric acid aqueous solution and cellulose, a 1:1 mixture of 40% sodium chlorate aqueous solution and cellulose, and a 1:1 mixture of 50% perchloric acid aqueous solution and cellulose) from 690 kPa to 2070 kPa was tested, and the results were 4959 ms, 2540 ms, and 124 ms, respectively. Second, the average pressure rise time of a 1:1 mixture of chemical X3 and cellulose was tested, and the result was 52 ms. This result is shorter than the average pressure rise time of the standard samples (a 1:1 mixture of 50% perchloric acid aqueous solution and cellulose), therefore chemical X3 is identified as an oxidizing liquid, category 1. This method uses multiple substances, including nitric acid aqueous solution, sodium chlorate aqueous solution, perchloric acid aqueous solution, and cellulose, for auxiliary testing, making the testing steps complex; it requires equipment such as pressure vessels with pressure sensors, and testing must be conducted in a laboratory; the testing time is 1.5 hours, which is time-consuming.

[0317] Analysis of the above application examples 1 to 10, verification examples 1 to 2, and comparative verification examples 1 to 8 leads to the following conclusions:

[0318] As described in Application Examples 1-3, this invention can rapidly determine the oxidizability of samples in different forms, such as powdered solids, flake solids, and liquids.

[0319] As described in Application Examples 1-7, for some known chemicals, this invention can accurately determine whether a solid / liquid is oxidizing based on the oxygen enrichment index, and the results are consistent with those given in the oxidizing test in the "Implementation Guidelines for the Catalogue of Hazardous Chemicals (2015 Edition)" or the United Nations "Manual of Tests and Criteria for the Transport of Dangerous Goods".

[0320] As described in Application Examples 8-10, this invention can accurately determine whether a solid / liquid of an unknown chemical is oxidizing, and the results are consistent with those given in the United Nations Manual of Tests and Criteria for the Transport of Dangerous Goods.

[0321] In summary, the method described in this invention overcomes the shortcomings of traditional oxidative testing, such as long testing time, the need for multiple chemicals (some of which are toxic or corrosive) to assist in testing, and the difficulty of on-site testing. It only requires a small amount of sample for a single test to quickly determine the oxidative properties of chemicals, enabling rapid screening and determination of the oxidative properties of chemicals. This provides a powerful tool for inspection and reduces accidents caused by the concealment of oxidative solids / liquids.

[0322] It should be understood that the embodiments disclosed herein are not limited to the specific structures, processing steps, or materials disclosed herein, but should be extended to equivalent substitutions of these features as understood by those skilled in the art. It should also be understood that the terminology used herein is for the purpose of describing particular embodiments only and is not intended to be limiting.

[0323] In the description of this invention, unless otherwise stated, "a plurality of" means two or more; the terms "upper," "lower," "left," "right," "inner," "outer," "front end," "rear end," "head," "tail," etc., indicate the orientation or positional relationship based on the orientation or positional relationship shown in the accompanying drawings, and are only for the convenience of describing the invention and simplifying the description, and do not indicate or imply that the device or element referred to must have a specific orientation, or be constructed and operated in a specific orientation, and therefore should not be construed as a limitation of the invention. Furthermore, the terms "first," "second," "third," etc., are used for descriptive purposes only and should not be construed as indicating or implying relative importance.

[0324] In the description of this invention, it should be noted that, unless otherwise explicitly specified and limited, the terms "connected" and "linked" should be interpreted broadly. For example, they can refer to a fixed connection, a detachable connection, or an integral connection; they can refer to a mechanical connection or an electrical connection; they can refer to a direct connection or an indirect connection through an intermediate medium. Those skilled in the art can understand the specific meaning of the above terms in this invention based on the specific circumstances.

[0325] Certain terms are used throughout this application to refer to specific system components. As those skilled in the art will recognize, the same components may often be referred to by different names, and therefore this application is not intended to distinguish components that differ only in name and not in function. The terms "an embodiment" or "embodiment" used in the specification mean that a particular feature, structure, or characteristic described in connection with the embodiment is included in at least one embodiment of the invention. Therefore, the phrase "an embodiment" or "embodiment" appearing throughout the specification does not necessarily refer to the same embodiment.

[0326] The embodiments of the present invention are given for illustrative and descriptive purposes only, and are not intended to be exhaustive or to limit the invention to the forms disclosed. Many modifications and variations will be apparent to those skilled in the art. The embodiments were chosen and described in order to better illustrate the principles and practical application of the invention, and to enable those skilled in the art to understand the invention and to design various embodiments with various modifications suitable for a particular purpose.

[0327] Although preferred embodiments of the invention have been described, those skilled in the art, upon learning the basic inventive concept, can make other changes and modifications to these embodiments. Therefore, the appended claims are intended to be interpreted as including the preferred embodiments as well as all changes and / or modifications falling within the scope of the invention, and all changes and / or modifications made according to embodiments of the invention should be covered within the protection scope of the invention.

Claims

1. A method for determining the oxidizing property of a chemical, characterized in that, Includes the following steps: Step S1. Measure the laser-induced breakdown spectrum of the chemical. Step S2. Based on the laser-induced breakdown spectrum, automatically calculate the mass percentage of each element contained in the chemical substance; Step S3. Based on the mass percentage of each element contained in the chemical, obtain the 100 g / mol content of each element cluster contained in the chemical, calculate the oxygen enrichment index contribution value of each element cluster according to formula (1), and further calculate the sum of the oxygen enrichment index contribution values ​​of all element clusters contained in the chemical, which is the oxygen enrichment index of the chemical. Q k = a k A k Formula (1) wherein k represents any one group of element clusters contained in the chemical, Q k represents the oxygen enrichment index contribution value of element cluster k; A k represents the hundred-kilogram-mole content of element cluster k, which is the sum of the hundred-kilogram-mole content of each element contained in element cluster k; a k represents the oxygen enrichment coefficient of element cluster k; Step S4. Determine whether the chemical is a non-oxidizing chemical, a potentially oxidizing chemical, or an oxidizing chemical based on the oxygen enrichment index.

2. The method according to claim 1, characterized in that, In step S2, the chemical contains two or more of the following elements: O, S, Se, N, P, As, Bi, C, Si, Pb, H, F, Cl, Br, I, Li, Na, K, Cs, Be, Mg, Ca, Sr, Ba, Cu, Zn, Cd, Ag, Cr, Mn, Fe, Co, Ni, B, Al, Ga, In, Tl, Zr, Y, Rh, Sc, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu.

3. The method according to claim 2, characterized in that, In step S3, the elements contained in the chemical are divided into at least one of the following 14 element clusters: The first element cluster includes O; The second element cluster includes S and Se; The third elemental cluster includes N, P, As, and Bi; Group 4 includes C, Si, and Pb; The fifth element cluster includes H; The sixth element group includes F, Cl, Br, and I; The seventh elemental group includes Li, Na, K, and Cs; The 8th element cluster includes Be, Mg, Ca, Sr, and Ba; Group 9 includes Cu, Zn, and Cd; The 10th element cluster includes Ag; Group 11 includes Cr, Mn, Fe, Co, and Ni; The 12th element group includes B, Al, Ga, In, and Tl; The 13th element cluster includes Zr, Y, and Rh; The 14th element cluster includes Sc, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu.

4. The method according to claim 3, characterized in that, In step S3, the oxygen-rich coefficients a1 to a14 of the 14 groups of element clusters are determined as follows: 14 2, -6.1, 2.8, -4.3, -1, 0.9, -1, -1.9, -1.8, -0.9, -3.2, -2.7, -3.9, -1.

5.

5. The method according to claim 4, characterized in that, In step S2, the optimal spectral lines of each element contained in the chemical are selected from the laser-induced breakdown spectrum, and the mass percentage of each element in the chemical is automatically calculated by combining the spectral line intensity-element mass percentage standard curve of each element.

6. The method according to claim 5, characterized in that, In step S3, the molar content per 100 g of each element cluster contained in the chemical is calculated according to the following steps: The elements contained in the chemical are divided into at least one of the 14 element clusters. The mass percentage of each element in each element cluster is automatically converted to a percentage molar content according to formula (2). Then, the percentage molar content of each element cluster is automatically calculated according to formula (3). in, w represents the molar content per 100 grams of the m-th element contained in element cluster k of the chemical product. m % represents the mass percentage of the m-th element in the chemical product; M m A represents the relative atomic mass of the m-th element; k The molar content per hundred grams of element cluster k is represented; m is an integer from p to q, where p = 1 and q ≥ 1.

7. The method according to any one of claims 1 to 6, characterized in that, In step S4, the criteria for determining the oxidizing property of the chemical are as follows: When the oxygen enrichment index is ≤0, the chemical is determined to be a non-oxidizing chemical; When 0 < oxygen enrichment index < 2, the chemical is determined to be a potentially oxidizing chemical. When the oxygen enrichment index is ≥2, the chemical is determined to be an oxidizing chemical.

8. An apparatus for determining the oxidizing property of a chemical, characterized in that, A method for determining the oxidizing property of a chemical as described in any one of claims 1 to 7; comprising: A laser generator (100) is used to emit laser pulses; A reflector (200) is used to reflect the laser pulse so that it irradiates the chemicals to generate plasma and emit a characteristic spectrum; A laser-induced breakdown spectroscopy measuring device (300) is used to receive the characteristic spectrum to form the laser-induced breakdown spectrum of the chemical, and automatically calculate the mass percentage of each element contained in the chemical. A computer (400) is connected to the laser-induced breakdown spectroscopy measuring device (300) to automatically calculate the 100 g / mol content of each element cluster contained in the chemical and the contribution value of the oxygen enrichment index, the oxygen enrichment index of the chemical, and determine the oxidizing property of the chemical.

9. The apparatus according to claim 8, characterized in that, The laser-induced breakdown spectroscopy measuring device (300) includes: Sample apparatus (310) for containing the chemical and providing a suitable environment for laser-induced breakdown spectroscopy determination of the chemical; The data acquisition and processing device (320) is used to acquire and receive the characteristic spectrum, form the laser-induced breakdown spectrum of the chemical, select the best spectral lines of each element contained in the chemical from the laser-induced breakdown spectrum, and automatically calculate the mass percentage of each element contained in the chemical by combining the spectral line intensity-element mass percentage standard curve of each element. A digital signal delay generator (330) is disposed between the laser generator (100) and the data acquisition and detection processing device (320) for enabling the data acquisition and detection processing device (320) to receive the characteristic spectrum at a certain delay time.

10. The apparatus according to claim 9, characterized in that, The sample apparatus (310) includes a sample platform (311), a cup-shaped cover (312) inverted on the sample platform (311), and a vacuum device (313) connected to the cup-shaped cover (312); wherein the cup-shaped cover (312) inverted on the sample platform (311) forms a pressure-resistant sealing structure; the vacuum device (313) provides the required vacuum level for the laser-induced breakdown spectroscopy determination of the chemical. Preferably, the cup-shaped cover (312) includes a bottom surface (312-1) and a side wall (312-2); the bottom surface (312-1) is a convex lens structure for focusing the laser pulse onto the surface of the chemical; and / or The sample platform (311) is also equipped with a built-in refrigeration device for rapidly freezing the liquid chemicals to solidify them, so as to avoid the vapor or splashing of the liquid chemicals affecting the determination of the laser-induced breakdown spectrum.

11. The apparatus according to claim 10, characterized in that, The data acquisition, detection, and processing device (320) includes a data acquisition device (321) and a data detection and processing device (322); wherein, The data acquisition device (321) extends into the cup-shaped cover (312), acquires the characteristic spectrum, and transmits it to the data detection and processing device (322); The data detection and processing device (322) detects the characteristic spectrum under a certain integration time to form the laser-induced breakdown spectrum of the chemical. It selects the best spectral lines of each element contained in the chemical from the laser-induced breakdown spectrum, and automatically calculates the mass percentage of each element contained in the chemical by combining the spectral line intensity-element mass percentage standard curve of each element and transmits it to the computer (400).

12. The apparatus according to claim 11, characterized in that, The data detection and processing device (322) has a built-in NIST spectral library and matrix information from the laser-induced breakdown spectroscopy measurement, and selects the optimal spectral line from the laser-induced breakdown spectrum based on peak height and signal-to-noise ratio; and / or The data detection and processing device (322) also has a built-in standard curve of spectral line intensity-element mass percentage for each element, which is used to calculate the mass percentage of each element contained in the chemical.

13. The apparatus according to claim 11 or 12, wherein the computer (400) stores the classification rules of the 14 element clusters for classifying each element contained in the chemical substance into at least one of the 14 element clusters; and / or The computer (400) also stores formulas (2) and (3), which automatically convert the mass percentage of each element in each element cluster into a percentage molar content, and automatically calculate the percentage molar content of each element cluster; and / or The computer (400) also stores the formula (1) and the oxygen-enriched coefficients a1 to a14 of the 14 groups of element clusters, the values of which are used to calculate the oxygen-enriched index contribution value of each group of element clusters, and further calculate the oxygen-enriched index of the chemical; and / or 14 the values of which are used to calculate the oxygen-enriched index contribution value of each group of element clusters, and further calculate the oxygen-enriched index of the chemical; and / or The computer (400) also stores standards for determining the oxidizing properties of the chemical, used to determine whether the chemical is a non-oxidizing chemical, a chemical that may have oxidizing properties, or an oxidizing chemical.

14. The apparatus according to any one of claims 10 to 12, characterized in that, The laser pulse has a wavelength of 1064 nm; and / or a pulse width of 6 to 10 ns; and / or a pulse frequency of 5 to 10 Hz; and / or a single pulse energy of 50 to 500 mJ; and / or The focal length of the convex lens structure is 50 mm; and / or the focal point is 2 to 4 mm below the surface of the chemical.

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