CN118130404A - Element concentration acquisition method and device based on spectral analysis - Google Patents
Element concentration acquisition method and device based on spectral analysis Download PDFInfo
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- CN118130404A CN118130404A CN202410286619.7A CN202410286619A CN118130404A CN 118130404 A CN118130404 A CN 118130404A CN 202410286619 A CN202410286619 A CN 202410286619A CN 118130404 A CN118130404 A CN 118130404A
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- 238000000034 method Methods 0.000 title claims abstract description 51
- 238000010183 spectrum analysis Methods 0.000 title claims abstract description 34
- 230000008033 biological extinction Effects 0.000 claims abstract description 26
- 238000000862 absorption spectrum Methods 0.000 claims description 163
- 229910052770 Uranium Inorganic materials 0.000 claims description 94
- JFALSRSLKYAFGM-UHFFFAOYSA-N uranium(0) Chemical compound [U] JFALSRSLKYAFGM-UHFFFAOYSA-N 0.000 claims description 93
- 229910052778 Plutonium Inorganic materials 0.000 claims description 92
- OYEHPCDNVJXUIW-UHFFFAOYSA-N plutonium atom Chemical compound [Pu] OYEHPCDNVJXUIW-UHFFFAOYSA-N 0.000 claims description 92
- 238000010521 absorption reaction Methods 0.000 claims description 87
- 238000012937 correction Methods 0.000 claims description 55
- 238000000584 ultraviolet--visible--near infrared spectrum Methods 0.000 claims description 29
- 238000004590 computer program Methods 0.000 claims description 15
- 238000001228 spectrum Methods 0.000 abstract description 9
- 238000004458 analytical method Methods 0.000 abstract description 4
- 238000005259 measurement Methods 0.000 abstract description 4
- 238000010586 diagram Methods 0.000 description 16
- 230000006870 function Effects 0.000 description 8
- 238000012545 processing Methods 0.000 description 7
- 238000004364 calculation method Methods 0.000 description 4
- 238000004611 spectroscopical analysis Methods 0.000 description 4
- 238000002835 absorbance Methods 0.000 description 3
- 239000007788 liquid Substances 0.000 description 3
- WJWSFWHDKPKKES-UHFFFAOYSA-N plutonium uranium Chemical compound [U].[Pu] WJWSFWHDKPKKES-UHFFFAOYSA-N 0.000 description 3
- 230000008569 process Effects 0.000 description 3
- 238000000926 separation method Methods 0.000 description 3
- GRYLNZFGIOXLOG-UHFFFAOYSA-N Nitric acid Chemical compound O[N+]([O-])=O GRYLNZFGIOXLOG-UHFFFAOYSA-N 0.000 description 2
- 238000004891 communication Methods 0.000 description 2
- 238000009795 derivation Methods 0.000 description 2
- 239000000463 material Substances 0.000 description 2
- 229910017604 nitric acid Inorganic materials 0.000 description 2
- 230000003595 spectral effect Effects 0.000 description 2
- 239000002915 spent fuel radioactive waste Substances 0.000 description 2
- STCOOQWBFONSKY-UHFFFAOYSA-N tributyl phosphate Chemical compound CCCCOP(=O)(OCCCC)OCCCC STCOOQWBFONSKY-UHFFFAOYSA-N 0.000 description 2
- XLYOFNOQVPJJNP-UHFFFAOYSA-N water Substances O XLYOFNOQVPJJNP-UHFFFAOYSA-N 0.000 description 2
- 229910052768 actinide Inorganic materials 0.000 description 1
- 150000001255 actinides Chemical class 0.000 description 1
- 238000009616 inductively coupled plasma Methods 0.000 description 1
- 238000004519 manufacturing process Methods 0.000 description 1
- 238000012986 modification Methods 0.000 description 1
- 230000004048 modification Effects 0.000 description 1
- 230000003287 optical effect Effects 0.000 description 1
- 239000012074 organic phase Substances 0.000 description 1
Classifications
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- Y—GENERAL TAGGING OF NEW TECHNOLOGICAL DEVELOPMENTS; GENERAL TAGGING OF CROSS-SECTIONAL TECHNOLOGIES SPANNING OVER SEVERAL SECTIONS OF THE IPC; TECHNICAL SUBJECTS COVERED BY FORMER USPC CROSS-REFERENCE ART COLLECTIONS [XRACs] AND DIGESTS
- Y02—TECHNOLOGIES OR APPLICATIONS FOR MITIGATION OR ADAPTATION AGAINST CLIMATE CHANGE
- Y02E—REDUCTION OF GREENHOUSE GAS [GHG] EMISSIONS, RELATED TO ENERGY GENERATION, TRANSMISSION OR DISTRIBUTION
- Y02E30/00—Energy generation of nuclear origin
- Y02E30/30—Nuclear fission reactors
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- Investigating Or Analysing Materials By Optical Means (AREA)
Abstract
The invention provides an element concentration obtaining method and device based on spectrum analysis, and relates to the technical field of measurement analysis. The method comprises the following steps: acquiring a spectrum of a solution to be detected, analyzing the solution to be detected to obtain a comparison result, and determining the sequence of acquiring element concentrations according to the comparison result; acquiring a first peak area of a first element according to the spectrum, and acquiring a first element concentration corresponding to the first peak area; according to the concentration of the first element and the first molar extinction coefficient corresponding to the first element, a first spectrum corresponding to the first element is obtained, and the first spectrum is removed from the spectrum to obtain a second spectrum corresponding to the second element; and acquiring a second peak area of the second element according to the second spectrum, and acquiring a second element concentration corresponding to the second peak area. The apparatus performs the above method. The method and the device provided by the embodiment of the invention can accurately acquire the element concentration.
Description
Technical Field
The invention relates to the technical field of measurement and analysis, in particular to an element concentration acquisition method and device based on spectrum analysis.
Background
Uranium and plutonium are important actinides, and the most critical link in the spent fuel post-treatment process is a uranium-plutonium separation link so as to extract uranium and plutonium in spent fuel and recycle the uranium and the plutonium. U, pu are various in valence state in the post-treatment feed liquid, and exist in U (VI), U (IV), pu (IV) and Pu (III). In the uranium plutonium separation section, tributyl phosphate (TBP) as an organic phase extracted Pu (IV), U (VI) and a small amount of U (IV), pu (III) was not extracted.
At present, a technical means for rapidly and quantitatively analyzing the U (VI) concentration and the Pu (IV) concentration in a uranium-plutonium separation system is lacking.
Disclosure of Invention
Aiming at the problems in the prior art, the embodiment of the invention provides an element concentration acquisition method and device based on spectrum analysis, which can at least partially solve the problems in the prior art.
In one aspect, the invention provides a method for obtaining element concentration based on spectral analysis, which comprises the following steps:
Acquiring an ultraviolet visible near infrared absorption spectrum of a mixed organic solution to be detected, analyzing the mixed organic solution to be detected to obtain a comparison result of hexavalent uranium concentration and tetravalent plutonium concentration, and determining the sequence of acquiring element concentration according to the comparison result; the mixed organic solution to be detected is an organic solution mixed with tetravalent plutonium and hexavalent uranium;
Acquiring a first peak area of a first element at a first characteristic absorption peak corresponding to the first acquired element concentration according to the ultraviolet-visible near infrared absorption spectrum, and acquiring a first element concentration corresponding to the first peak area according to a predetermined first quantitative correction relation corresponding to the first element;
acquiring a first ultraviolet visible near infrared absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element, and removing the first ultraviolet visible near infrared absorption spectrum from the ultraviolet visible near infrared absorption spectrum to acquire a second ultraviolet visible near infrared absorption spectrum corresponding to a second element corresponding to the post-acquired element concentration;
And obtaining a second peak area of the second element at a second characteristic absorption peak according to the second ultraviolet-visible near infrared absorption spectrum, and obtaining a second element concentration corresponding to the second peak area according to a predetermined second quantitative correction relation corresponding to the second element.
The determining the sequence of obtaining the element concentration according to the comparison result comprises the following steps:
If the hexavalent uranium concentration is determined to be greater than the tetravalent plutonium concentration, determining to acquire the hexavalent uranium concentration first and then acquiring the tetravalent plutonium concentration;
And if the hexavalent uranium concentration is determined to be smaller than the tetravalent plutonium concentration, determining to acquire the tetravalent plutonium concentration first, and then acquiring the hexavalent uranium concentration.
The step of acquiring a first peak area of a first element at a first characteristic absorption peak corresponding to the concentration of the first element according to the ultraviolet visible near infrared absorption spectrum comprises the following steps:
performing second derivative treatment on the ultraviolet visible near infrared absorption spectrum to obtain a second derivative absorption spectrum of the mixed organic solution to be detected;
determining the tetravalent plutonium and the hexavalent uranium according to characteristic absorption peaks in a second-derivative absorption spectrum of the mixed organic solution to be detected;
taking the tetravalent plutonium or the hexavalent uranium as the first element, and acquiring a first peak area of the first element at a first characteristic absorption peak.
Wherein the obtaining a first uv-vis-nir absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element comprises:
multiplying the first element concentration and the first molar extinction coefficient, and taking the obtained product as the first ultraviolet-visible near-infrared absorption spectrum.
Wherein the obtaining a second peak area of the second element at a second characteristic absorption peak according to the second ultraviolet visible near infrared absorption spectrum includes:
performing second derivative treatment on the second ultraviolet visible near infrared absorption spectrum to obtain a second derivative absorption spectrum of a second element solution;
And determining a characteristic absorption peak in a second derivative absorption spectrum of the second element solution as the second characteristic absorption peak, and acquiring a second peak area of the second element at the second characteristic absorption peak.
The method for acquiring the element concentration based on the spectral analysis further comprises the following steps:
if the first element is determined to be the hexavalent uranium, the first quantitative correction relational expression is:
S1＝1.46c1；
Wherein, S1 is the peak area of the characteristic absorption peak corresponding to the hexavalent uranium, and c1 is the concentration of the hexavalent uranium;
Correspondingly, the second quantitative correction relationship expression is:
S2＝21.9c2；
wherein S2 is a peak area at a characteristic absorption peak corresponding to the tetravalent plutonium, and c2 is the tetravalent plutonium concentration.
The method for acquiring the element concentration based on the spectral analysis further comprises the following steps:
if it is determined that the first element is the tetravalent plutonium, the first quantitative correction relational expression is:
S1’＝21.9c1’；
wherein S1 'is a peak area at a characteristic absorption peak corresponding to the tetravalent plutonium, and c1' is the tetravalent plutonium concentration;
Correspondingly, the second quantitative correction relationship expression is:
S2’＝1.46c2’；
Wherein S2 'is the peak area of the characteristic absorption peak corresponding to the hexavalent uranium, and c2' is the hexavalent uranium concentration.
In one aspect, the present invention provides an element concentration obtaining device based on spectral analysis, including:
the device comprises a first acquisition unit, a second acquisition unit and a control unit, wherein the first acquisition unit is used for acquiring an ultraviolet visible near infrared absorption spectrum of a mixed organic solution to be detected, analyzing the mixed organic solution to be detected to obtain a comparison result of hexavalent uranium concentration and tetravalent plutonium concentration, and determining the sequence of acquiring element concentration according to the comparison result; the mixed organic solution to be detected is an organic solution mixed with tetravalent plutonium and hexavalent uranium;
A second acquisition unit, configured to acquire a first peak area of a first element at a first characteristic absorption peak corresponding to a first acquired element concentration according to the ultraviolet visible near infrared absorption spectrum, and acquire a first element concentration corresponding to the first peak area according to a predetermined first quantitative correction relationship corresponding to the first element;
a third obtaining unit, configured to obtain a first uv-vis-nir absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element, and remove the first uv-vis-nir absorption spectrum from the uv-vis-nir absorption spectrum, so as to obtain a second uv-vis-nir absorption spectrum corresponding to a second element corresponding to the post-obtained element concentration;
A fourth obtaining unit, configured to obtain a second peak area of the second element at a second characteristic absorption peak according to the second ultraviolet visible near infrared absorption spectrum, and obtain a second element concentration corresponding to the second peak area according to a predetermined second quantitative correction relationship corresponding to the second element.
In still another aspect, an embodiment of the present invention provides an electronic device, including: a processor, a memory, and a bus, wherein,
The processor and the memory complete communication with each other through the bus;
The memory stores program instructions executable by the processor, the processor invoking the program instructions capable of performing the method of:
Acquiring an ultraviolet visible near infrared absorption spectrum of a mixed organic solution to be detected, analyzing the mixed organic solution to be detected to obtain a comparison result of hexavalent uranium concentration and tetravalent plutonium concentration, and determining the sequence of acquiring element concentration according to the comparison result; the mixed organic solution to be detected is an organic solution mixed with tetravalent plutonium and hexavalent uranium;
Acquiring a first peak area of a first element at a first characteristic absorption peak corresponding to the first acquired element concentration according to the ultraviolet-visible near infrared absorption spectrum, and acquiring a first element concentration corresponding to the first peak area according to a predetermined first quantitative correction relation corresponding to the first element;
acquiring a first ultraviolet visible near infrared absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element, and removing the first ultraviolet visible near infrared absorption spectrum from the ultraviolet visible near infrared absorption spectrum to acquire a second ultraviolet visible near infrared absorption spectrum corresponding to a second element corresponding to the post-acquired element concentration;
And obtaining a second peak area of the second element at a second characteristic absorption peak according to the second ultraviolet-visible near infrared absorption spectrum, and obtaining a second element concentration corresponding to the second peak area according to a predetermined second quantitative correction relation corresponding to the second element.
Embodiments of the present invention provide a non-transitory computer readable storage medium comprising:
The non-transitory computer readable storage medium stores computer instructions that cause the computer to perform the method of:
Acquiring an ultraviolet visible near infrared absorption spectrum of a mixed organic solution to be detected, analyzing the mixed organic solution to be detected to obtain a comparison result of hexavalent uranium concentration and tetravalent plutonium concentration, and determining the sequence of acquiring element concentration according to the comparison result; the mixed organic solution to be detected is an organic solution mixed with tetravalent plutonium and hexavalent uranium;
Acquiring a first peak area of a first element at a first characteristic absorption peak corresponding to the first acquired element concentration according to the ultraviolet-visible near infrared absorption spectrum, and acquiring a first element concentration corresponding to the first peak area according to a predetermined first quantitative correction relation corresponding to the first element;
acquiring a first ultraviolet visible near infrared absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element, and removing the first ultraviolet visible near infrared absorption spectrum from the ultraviolet visible near infrared absorption spectrum to acquire a second ultraviolet visible near infrared absorption spectrum corresponding to a second element corresponding to the post-acquired element concentration;
And obtaining a second peak area of the second element at a second characteristic absorption peak according to the second ultraviolet-visible near infrared absorption spectrum, and obtaining a second element concentration corresponding to the second peak area according to a predetermined second quantitative correction relation corresponding to the second element.
According to the element concentration obtaining method and device based on spectrum analysis, provided by the embodiment of the invention, the ultraviolet visible near infrared absorption spectrum of the mixed organic solution to be detected is obtained, the mixed organic solution to be detected is analyzed to obtain the comparison result of hexavalent uranium concentration and tetravalent plutonium concentration, and the sequence of obtaining the element concentration is determined according to the comparison result; the mixed organic solution to be detected is an organic solution mixed with tetravalent plutonium and hexavalent uranium; acquiring a first peak area of a first element at a first characteristic absorption peak corresponding to the first acquired element concentration according to the ultraviolet-visible near infrared absorption spectrum, and acquiring a first element concentration corresponding to the first peak area according to a predetermined first quantitative correction relation corresponding to the first element; acquiring a first ultraviolet visible near infrared absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element, and removing the first ultraviolet visible near infrared absorption spectrum from the ultraviolet visible near infrared absorption spectrum to acquire a second ultraviolet visible near infrared absorption spectrum corresponding to a second element corresponding to the post-acquired element concentration; and acquiring a second peak area of the second element at a second characteristic absorption peak according to the second ultraviolet visible near infrared absorption spectrum, and acquiring a second element concentration corresponding to the second peak area according to a predetermined second quantitative correction relation corresponding to the second element, so that the element concentration can be accurately acquired.
Drawings
In order to more clearly illustrate the embodiments of the invention or the technical solutions in the prior art, the drawings that are required in the embodiments or the description of the prior art will be briefly described, it being obvious that the drawings in the following description are only some embodiments of the invention, and that other drawings may be obtained according to these drawings without inventive effort for a person skilled in the art. In the drawings:
fig. 1 is a flow chart of a method for obtaining element concentration based on spectral analysis according to an embodiment of the present invention.
Fig. 2 is a schematic diagram illustrating a second derivative absorption spectrum of Pu (IV) according to an embodiment of the present invention.
Fig. 3 is a schematic diagram illustrating the relationship between the peak area of the characteristic peak in the second derivative absorption spectrum of Pu (IV) and Pu (IV) concentration according to the embodiment of the present invention.
Fig. 4 is a schematic diagram illustrating a second derivative absorption spectrum of U (VI) according to an embodiment of the present invention.
Fig. 5 is a schematic diagram illustrating the relationship between the peak area of the characteristic peak and the concentration of U (VI) in the second derivative absorption spectrum of U (VI) according to the embodiment of the present invention.
Fig. 6 is a schematic diagram illustrating calculation results of a U (VI) sample according to an embodiment of the present invention.
Fig. 7 is a schematic diagram illustrating the calculation result of Pu (IV) sample provided in the embodiment of the present invention.
Fig. 8 is a schematic structural diagram of an element concentration obtaining device based on spectral analysis according to an embodiment of the present invention.
Fig. 9 is a schematic diagram of an entity structure of an electronic device according to an embodiment of the present invention.
Detailed Description
For the purpose of making the objects, technical solutions and advantages of the embodiments of the present application more apparent, the embodiments of the present application will be described in further detail with reference to the accompanying drawings. The exemplary embodiments of the present application and their descriptions herein are for the purpose of explaining the present application, but are not to be construed as limiting the application. It should be noted that, without conflict, the embodiments of the present application and features of the embodiments may be arbitrarily combined with each other.
Fig. 1 is a schematic flow chart of an element concentration obtaining method based on spectral analysis according to an embodiment of the present invention, as shown in fig. 1, where the element concentration obtaining method based on spectral analysis according to the embodiment of the present invention includes:
step S1: acquiring an ultraviolet visible near infrared absorption spectrum of a mixed organic solution to be detected, analyzing the mixed organic solution to be detected to obtain a comparison result of hexavalent uranium concentration and tetravalent plutonium concentration, and determining the sequence of acquiring element concentration according to the comparison result; the mixed organic solution to be detected is an organic solution mixed with tetravalent plutonium and hexavalent uranium.
Step S2: and acquiring a first peak area of a first element at a first characteristic absorption peak corresponding to the first acquired element concentration according to the ultraviolet-visible near infrared absorption spectrum, and acquiring the first element concentration corresponding to the first peak area according to a predetermined first quantitative correction relation corresponding to the first element.
Step S3: according to the first element concentration and the first molar extinction coefficient corresponding to the first element, a first ultraviolet visible near infrared absorption spectrum corresponding to the first element is obtained, the first ultraviolet visible near infrared absorption spectrum is removed from the ultraviolet visible near infrared absorption spectrum, and a second ultraviolet visible near infrared absorption spectrum corresponding to a second element corresponding to the post-obtained element concentration is obtained.
Step S4: and obtaining a second peak area of the second element at a second characteristic absorption peak according to the second ultraviolet-visible near infrared absorption spectrum, and obtaining a second element concentration corresponding to the second peak area according to a predetermined second quantitative correction relation corresponding to the second element.
In the step S1, the device acquires an ultraviolet visible near infrared absorption spectrum of the mixed organic solution to be detected, analyzes the mixed organic solution to be detected to obtain a comparison result of hexavalent uranium concentration and tetravalent plutonium concentration, and determines a sequence of acquiring element concentration according to the comparison result; the mixed organic solution to be detected is an organic solution mixed with tetravalent plutonium and hexavalent uranium. The apparatus may be a computer device, which may be a server, performing the method. Tetravalent plutonium, which can be designated Pu (IV); hexavalent uranium, which can be designated as U (VI).
Before step S1 is performed, a first correspondence between the concentration of hexavalent uranium and the peak area of hexavalent uranium at the characteristic absorption peak may be predetermined, and a second correspondence between the concentration of tetravalent plutonium and the peak area of tetravalent plutonium at the characteristic absorption peak may be predetermined. The description is as follows:
preparing a control nitric acid solution containing U (VI) and Pu (IV) respectively, extracting the control nitric acid solution with 30% TBP-dodecane to obtain a control organic solution containing U (VI) and Pu (IV), and measuring the ultraviolet visible near infrared absorption spectrum of the control organic solution;
performing second derivative treatment on the ultraviolet visible near infrared absorption spectrum of the control organic solution to obtain a second derivative absorption spectrum of the control organic solution;
And determining characteristic peaks of U (VI) and Pu (IV) based on the second derivative absorption spectrum of the control organic solution, and establishing a quantitative correction relation between the peak areas of the characteristic absorption peaks of U (VI) and Pu (IV) in the second derivative absorption spectrum of the control organic solution and the uranium concentration and plutonium concentration.
In the case of U (VI), the control organic solution is also a series of control organic solutions containing uranium with different concentrations; in the case of Pu (IV), the control organic solution is a series of control organic solutions containing different concentrations of plutonium.
The ultraviolet visible near infrared absorption spectrum of the control organic solution and the mixed organic solution to be measured can be measured by adopting a spectrometry method.
The spectral conditions of the spectrometry include:
The spectrum range is 200nm-1400nm, the spectrum wavelength interval is 0.1nm-1.0nm, and the scanning speed is 60nm/min-600nm/min.
As an example, the spectral wavelength interval may be, but is not limited to, 0.1nm, 0.2nm, 0.3nm, 0.4nm, 0.5nm, 0.6nm, 0.7nm, 0.8nm, 0.9nm, 1.0nm, etc., or ranges between any two of the foregoing, etc.
The scan rate may be, but is not limited to 60nm/min、100nm/min、150nm/min、200nm/min、250nm/min、300nm/min、350nm/min、400m/min、450nm/min、500nm/min、550nm/min、600nm/min or a range between any two of the scan rates described above, etc.
The reference for measuring the ultraviolet visible near infrared absorption spectrum of the control organic solution is any one of air, water and blank organic solution.
The reference for measuring the ultraviolet visible near infrared absorption spectrum of the mixed organic solution to be measured is any one of air, water and blank organic solution.
The blank organic solution is an organic solution containing no uranium or plutonium.
In the case of Pu (IV), the control organic solution is a series of control organic solutions containing plutonium with different concentrations, and the concentration of the plutonium contained in the series of control organic solutions is 0.1-1.25 mmol/L; for example, the concentration may be, but not limited to, 0.1mmol/L, 0.25mmol/L, 0.5mmol/L, 0.75mmol/L, 1.0mmol/L, or a range between any two of the above concentrations.
When the concentration of the uranium in the organic solution is U (VI), the organic solution is a series of organic solution containing uranium with different concentrations, and the concentration of the uranium in the series of organic solution is 10mmol/L-100mmol/L; for example, the concentration may be, but not limited to, 10mmol/L, 25mmol/L, 50mmol/L, 75mmol/L, 100mmol/L, or a range between any two of the above concentrations.
The analysis of the mixed organic solution to be detected can be understood as preliminary concentration comparison analysis, namely, only the determination that the concentration of hexavalent uranium is higher than that of tetravalent plutonium or the determination that the concentration of hexavalent uranium is lower than that of tetravalent plutonium is needed.
The determining the sequence of obtaining the element concentration according to the comparison result comprises the following steps:
If the hexavalent uranium concentration is determined to be greater than the tetravalent plutonium concentration, determining to acquire the hexavalent uranium concentration first and then acquiring the tetravalent plutonium concentration;
And if the hexavalent uranium concentration is determined to be smaller than the tetravalent plutonium concentration, determining to acquire the tetravalent plutonium concentration first, and then acquiring the hexavalent uranium concentration. Namely, the concentration of the high-concentration element is firstly obtained, and then the concentration of the low-concentration element is obtained, so that the accuracy of element concentration obtaining can be improved.
In the step S2, the device obtains a first peak area of a first element at a first characteristic absorption peak corresponding to the first element concentration according to the uv-vis-nir absorption spectrum, and obtains the first element concentration corresponding to the first peak area according to a predetermined first quantitative correction relationship corresponding to the first element.
The step of obtaining a first peak area of a first element at a first characteristic absorption peak corresponding to the concentration of the first element according to the ultraviolet-visible near infrared absorption spectrum includes:
performing second derivative treatment on the ultraviolet visible near infrared absorption spectrum to obtain a second derivative absorption spectrum of the mixed organic solution to be detected; the formula adopted in the secondary derivation is as follows:
Wherein A' is absorbance of a second derivative absorption spectrum, A is absorbance of an ultraviolet visible near infrared absorption spectrum, and lambda is absorption spectrum wavelength.
The absorbance of the ultraviolet visible near infrared absorption spectrum can be subjected to secondary derivation by adopting function drawing software, so that a second derivative absorption spectrum is obtained.
Determining the tetravalent plutonium and the hexavalent uranium according to characteristic absorption peaks in a second-derivative absorption spectrum of the mixed organic solution to be detected; in the case of Pu (IV), the peak position of the characteristic absorption peak in the second derivative absorption spectrum is 491nm, and the quantitative correction relationship between the peak area of the characteristic absorption peak and the plutonium concentration is: s=21.9c, R 2 =0.9997, rsd=0.83%, where S is the peak area of the characteristic absorption peak, c is the plutonium concentration, the units are mol/L, R 2 and RSD are index parameters for evaluating the quantitative correction relationship, R 2 is the correlation coefficient, and RSD is the relative standard deviation.
In the case of U (VI), the peak position of the characteristic absorption peak in the second derivative absorption spectrum is 415nm, and the quantitative correction relation between the peak area of the characteristic absorption peak and the uranium concentration is as follows: s=1.46 c, R 2 =0.9999, rsd=0.13%, where S is the peak area of the characteristic absorption peak, c is the uranium concentration, the units are mol/L, R 2 and RSD are index parameters for evaluating the quantitative correction relationship, R 2 is the correlation coefficient, and RSD is the relative standard deviation.
Taking the tetravalent plutonium or the hexavalent uranium as the first element, and acquiring a first peak area of the first element at a first characteristic absorption peak.
In the step S3, the device acquires a first uv-vis-nir absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element, and removes the first uv-vis-nir absorption spectrum from the uv-vis-nir absorption spectrum to obtain a second uv-vis-nir absorption spectrum corresponding to a second element corresponding to the post-acquired element concentration. The obtaining a first ultraviolet visible near infrared absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element comprises:
multiplying the first element concentration and the first molar extinction coefficient, and taking the obtained product as the first ultraviolet-visible near-infrared absorption spectrum.
In the step S4, the device obtains a second peak area of the second element at a second characteristic absorption peak according to the second uv-vis-nir absorption spectrum, and obtains a second element concentration corresponding to the second peak area according to a predetermined second quantitative correction relationship corresponding to the second element. The obtaining a second peak area of the second element at a second characteristic absorption peak according to the second ultraviolet visible near infrared absorption spectrum includes:
performing second derivative treatment on the second ultraviolet visible near infrared absorption spectrum to obtain a second derivative absorption spectrum of a second element solution; reference may be made to the second derivative process described above, and no further description is given.
And determining a characteristic absorption peak in a second derivative absorption spectrum of the second element solution as the second characteristic absorption peak, and acquiring a second peak area of the second element at the second characteristic absorption peak.
The method for acquiring the element concentration based on the spectral analysis further comprises the following steps:
if the first element is determined to be the hexavalent uranium, the first quantitative correction relational expression is:
S1＝1.46c1；
Wherein, S1 is the peak area of the characteristic absorption peak corresponding to the hexavalent uranium, and c1 is the concentration of the hexavalent uranium;
Correspondingly, the second quantitative correction relationship expression is:
S2＝21.9c2；
wherein S2 is a peak area at a characteristic absorption peak corresponding to the tetravalent plutonium, and c2 is the tetravalent plutonium concentration.
The method for acquiring the element concentration based on the spectral analysis further comprises the following steps:
if it is determined that the first element is the tetravalent plutonium, the first quantitative correction relational expression is:
S1’＝21.9c1’；
wherein S1 'is a peak area at a characteristic absorption peak corresponding to the tetravalent plutonium, and c1' is the tetravalent plutonium concentration;
Correspondingly, the second quantitative correction relationship expression is:
S2’＝1.46c2’；
Wherein S2 'is the peak area of the characteristic absorption peak corresponding to the hexavalent uranium, and c2' is the hexavalent uranium concentration.
Taking the example that the concentration of hexavalent uranium is greater than that of tetravalent plutonium, the method for acquiring the element concentration based on spectral analysis provided by the embodiment of the invention is described as follows:
1. Establishment of quantitative relation between peak area of characteristic peak of second derivative absorption spectrum and Pu (IV) concentration:
Organic Pu (IV) solutions with concentrations of 1.25mmol/L, 1.00mmol/L, 0.75mmol/L, 0.50mmol/L, 0.25mmol/L and 0.10mmol/L are prepared respectively, and the Pu concentration is measured by a low background liquid scintillation counter, and the acidity of the solution is 3.0mol/L and the temperature is 25 ℃. And (3) obtaining ultraviolet visible near infrared absorption spectrums of the organic solutions with different concentrations Pu (IV) by using a spectrometer through a spectrometry method, wherein the wavelength range is 200-1400nm, and the wavelength interval is 1.0nm.
Performing second derivative processing on the ultraviolet visible near infrared absorption spectrum by adopting function drawing software to obtain second derivative absorption spectrums with different Pu (IV) concentrations, wherein characteristic peaks appear at 491nm in the second derivative absorption spectrums with different Pu (IV) concentrations, and peak areas of the characteristic peaks at 491nm are 0.02446, 0.01991, 0.01493, 0.01001, 0.00501 and 0.00200 respectively, so that a quantitative correction relation between the peak areas of the characteristic peaks and the Pu (IV) concentrations is established to be S=21.9c, R 2 =0.9997, and the relative standard deviation RSD=0.83%.
The second derivative absorption spectrum of Pu (IV) is shown in fig. 2, and the relationship between the peak area of the characteristic peak in the second derivative absorption spectrum of Pu (IV) and Pu (IV) concentration is shown in fig. 3.
2. Establishment of quantitative relation between peak area of characteristic peak of second derivative absorption spectrum and U (VI) concentration:
Organic solutions of U (VI) with the concentration of 100mmol/L, 75mmol/L, 50mmol/L, 25mmol/L and 10mmol/L are respectively prepared, the concentration of U (VI) is obtained by measuring an inductively coupled plasma emission spectrometer, the acidity of the solution is 3.0mol/L, and the temperature is 25 ℃. And (3) obtaining ultraviolet visible near infrared absorption spectrums of organic solutions with different concentrations U (VI) by using a spectrometer through a spectrometry method, wherein the wavelength range is 200-1400nm, and the wavelength interval is 1.0nm. Performing second derivative processing on the ultraviolet visible near infrared absorption spectrum by adopting function drawing software to obtain second derivative absorption spectrums with different U (VI) concentrations, wherein characteristic peaks appear at 415nm in the second derivative absorption spectrums with different U (VI) concentrations, peak areas of the characteristic peaks at 415nm are 0.13870, 0.10391, 0.06947, 0.03489 and 0.01390 respectively, and therefore a quantitative correction relation between the peak areas of the characteristic peaks and the U (VI) concentration is established to be S=1.46 c, R 2 =0.9999 and relative standard deviation RSD=0.13%.
The second derivative absorption spectrum of U (VI) is shown in fig. 4, and the relationship between the peak area of the characteristic peak in the second derivative absorption spectrum of U (VI) and the concentration of U (VI) is shown in fig. 5.
3. Sample measurement of mixed organic solution containing U (VI), pu (IV):
samples of mixed organic solutions were prepared with Pu (IV) concentrations of 0.5mmol/L, U (VI) concentrations of 2.5mmol/L, 5mmol/L, 25mmol/L, 50mmol/L, 75mmol/L, 87.5mmol/L, 100mmol/L, 112.5mmol/L, respectively, pu (IV) concentrations were obtained by low background liquid scintillation counter measurement, solution acidity of 3.0mol/L, and temperature of 25 ℃.
And measuring the ultraviolet visible near infrared absorption spectrum of the series of mixed organic solutions to obtain a second-order derivative absorption spectrum, wherein the wavelength range is 200-1400nm, and the wavelength interval is 1.0nm. The U (VI) concentration was calculated by substituting the U (VI) absorption peak areas at different concentrations into the formula s=1.46 c obtained in example 2, and the sample calculation result is shown in fig. 6.
After calculating the concentration of U (VI), multiplying the molar extinction coefficient of U (VI) under the condition to obtain the ultraviolet-visible absorption spectrum of U (VI) with different concentrations under the condition. The ultraviolet-visible near infrared absorption spectrum of the mixed organic solution is subtracted from the ultraviolet-visible absorption spectrum of the corresponding concentration U (VI), and the ultraviolet-visible near infrared absorption spectrum of Pu (IV) under the condition is theoretically obtained and the second derivative absorption spectrum is obtained. The Pu (IV) concentration was calculated by substituting the area of Pu (IV) absorption peak into the formula s=21.9c obtained in example 1, and the sample calculation result is shown in fig. 7.
According to the element concentration obtaining method based on spectrum analysis, provided by the embodiment of the invention, an ultraviolet visible near infrared absorption spectrum of a mixed organic solution to be detected is obtained, the mixed organic solution to be detected is analyzed to obtain a comparison result of hexavalent uranium concentration and tetravalent plutonium concentration, and the sequence of obtaining the element concentration is determined according to the comparison result; the mixed organic solution to be detected is an organic solution mixed with tetravalent plutonium and hexavalent uranium; acquiring a first peak area of a first element at a first characteristic absorption peak corresponding to the first acquired element concentration according to the ultraviolet-visible near infrared absorption spectrum, and acquiring a first element concentration corresponding to the first peak area according to a predetermined first quantitative correction relation corresponding to the first element; acquiring a first ultraviolet visible near infrared absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element, and removing the first ultraviolet visible near infrared absorption spectrum from the ultraviolet visible near infrared absorption spectrum to acquire a second ultraviolet visible near infrared absorption spectrum corresponding to a second element corresponding to the post-acquired element concentration; and acquiring a second peak area of the second element at a second characteristic absorption peak according to the second ultraviolet visible near infrared absorption spectrum, and acquiring a second element concentration corresponding to the second peak area according to a predetermined second quantitative correction relation corresponding to the second element, so that the element concentration can be accurately acquired.
Further, the determining the sequence of obtaining the element concentration according to the comparison result includes:
If the hexavalent uranium concentration is determined to be greater than the tetravalent plutonium concentration, determining to acquire the hexavalent uranium concentration first and then acquiring the tetravalent plutonium concentration; the description of the embodiments may be referred to above, and will not be repeated.
And if the hexavalent uranium concentration is determined to be smaller than the tetravalent plutonium concentration, determining to acquire the tetravalent plutonium concentration first, and then acquiring the hexavalent uranium concentration. The description of the embodiments may be referred to above, and will not be repeated.
Further, the acquiring the first peak area of the first element at the first characteristic absorption peak corresponding to the concentration of the first element according to the ultraviolet visible near infrared absorption spectrum includes:
performing second derivative treatment on the ultraviolet visible near infrared absorption spectrum to obtain a second derivative absorption spectrum of the mixed organic solution to be detected; the description of the embodiments may be referred to above, and will not be repeated.
Determining the tetravalent plutonium and the hexavalent uranium according to characteristic absorption peaks in a second-derivative absorption spectrum of the mixed organic solution to be detected; the description of the embodiments may be referred to above, and will not be repeated.
Taking the tetravalent plutonium or the hexavalent uranium as the first element, and acquiring a first peak area of the first element at a first characteristic absorption peak. The description of the embodiments may be referred to above, and will not be repeated.
Further, the obtaining a first uv-vis-nir absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element includes:
Multiplying the first element concentration and the first molar extinction coefficient, and taking the obtained product as the first ultraviolet-visible near-infrared absorption spectrum. The description of the embodiments may be referred to above, and will not be repeated.
Further, the obtaining a second peak area of the second element at a second characteristic absorption peak according to the second ultraviolet visible near infrared absorption spectrum includes:
Performing second derivative treatment on the second ultraviolet visible near infrared absorption spectrum to obtain a second derivative absorption spectrum of a second element solution; the description of the embodiments may be referred to above, and will not be repeated.
And determining a characteristic absorption peak in a second derivative absorption spectrum of the second element solution as the second characteristic absorption peak, and acquiring a second peak area of the second element at the second characteristic absorption peak. The description of the embodiments may be referred to above, and will not be repeated.
Further, the method for obtaining the element concentration based on the spectral analysis further comprises the following steps:
if the first element is determined to be the hexavalent uranium, the first quantitative correction relational expression is:
S1＝1.46c1；
Wherein, S1 is the peak area of the characteristic absorption peak corresponding to the hexavalent uranium, and c1 is the concentration of the hexavalent uranium; the description of the embodiments may be referred to above, and will not be repeated.
Correspondingly, the second quantitative correction relationship expression is:
S2＝21.9c2；
Wherein S2 is a peak area at a characteristic absorption peak corresponding to the tetravalent plutonium, and c2 is the tetravalent plutonium concentration. The description of the embodiments may be referred to above, and will not be repeated.
Further, the method for obtaining the element concentration based on the spectral analysis further comprises the following steps:
if it is determined that the first element is the tetravalent plutonium, the first quantitative correction relational expression is:
S1’＝21.9c1’；
wherein S1 'is a peak area at a characteristic absorption peak corresponding to the tetravalent plutonium, and c1' is the tetravalent plutonium concentration; the description of the embodiments may be referred to above, and will not be repeated.
Correspondingly, the second quantitative correction relationship expression is:
S2’＝1.46c2’；
Wherein S2 'is the peak area of the characteristic absorption peak corresponding to the hexavalent uranium, and c2' is the hexavalent uranium concentration. The description of the embodiments may be referred to above, and will not be repeated.
Fig. 8 is a schematic structural diagram of an element concentration obtaining device based on spectral analysis according to an embodiment of the present invention, as shown in fig. 8, where the element concentration obtaining device based on spectral analysis according to the embodiment of the present invention includes a first obtaining unit 801, a second obtaining unit 802, a third obtaining unit 803, and a fourth obtaining unit 804, where:
The first obtaining unit 801 is configured to obtain an ultraviolet visible near infrared absorption spectrum of a mixed organic solution to be tested, analyze the mixed organic solution to be tested, obtain a comparison result of a hexavalent uranium concentration and a tetravalent plutonium concentration, and determine a sequence of obtaining element concentrations according to the comparison result; the mixed organic solution to be detected is an organic solution mixed with tetravalent plutonium and hexavalent uranium; the second obtaining unit 802 is configured to obtain, according to the uv-vis-nir absorption spectrum, a first peak area of a first element corresponding to a first obtained element concentration at a first characteristic absorption peak, and obtain, according to a predetermined first quantitative correction relationship corresponding to the first element, a first element concentration corresponding to the first peak area; the third obtaining unit 803 is configured to obtain a first uv-vis-nir absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element, and remove the first uv-vis-nir absorption spectrum from the uv-vis-nir absorption spectrum to obtain a second uv-vis-nir absorption spectrum corresponding to a second element corresponding to the post-obtained element concentration; the fourth obtaining unit 804 is configured to obtain a second peak area of the second element at a second characteristic absorption peak according to the second uv-vis-nir absorption spectrum, and obtain a second element concentration corresponding to the second peak area according to a predetermined second quantitative correction relationship corresponding to the second element.
Specifically, a first obtaining unit 801 in the device is configured to obtain an ultraviolet visible near infrared absorption spectrum of a mixed organic solution to be detected, analyze the mixed organic solution to be detected, obtain a comparison result of a hexavalent uranium concentration and a tetravalent plutonium concentration, and determine a sequence of obtaining element concentrations according to the comparison result; the mixed organic solution to be detected is an organic solution mixed with tetravalent plutonium and hexavalent uranium; the second obtaining unit 802 is configured to obtain, according to the uv-vis-nir absorption spectrum, a first peak area of a first element corresponding to a first obtained element concentration at a first characteristic absorption peak, and obtain, according to a predetermined first quantitative correction relationship corresponding to the first element, a first element concentration corresponding to the first peak area; the third obtaining unit 803 is configured to obtain a first uv-vis-nir absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element, and remove the first uv-vis-nir absorption spectrum from the uv-vis-nir absorption spectrum to obtain a second uv-vis-nir absorption spectrum corresponding to a second element corresponding to the post-obtained element concentration; the fourth obtaining unit 804 is configured to obtain a second peak area of the second element at a second characteristic absorption peak according to the second uv-vis-nir absorption spectrum, and obtain a second element concentration corresponding to the second peak area according to a predetermined second quantitative correction relationship corresponding to the second element.
According to the element concentration obtaining device based on spectral analysis, provided by the embodiment of the invention, an ultraviolet visible near infrared absorption spectrum of a mixed organic solution to be detected is obtained, the mixed organic solution to be detected is analyzed to obtain a comparison result of hexavalent uranium concentration and tetravalent plutonium concentration, and the sequence of obtaining the element concentration is determined according to the comparison result; the mixed organic solution to be detected is an organic solution mixed with tetravalent plutonium and hexavalent uranium; acquiring a first peak area of a first element at a first characteristic absorption peak corresponding to the first acquired element concentration according to the ultraviolet-visible near infrared absorption spectrum, and acquiring a first element concentration corresponding to the first peak area according to a predetermined first quantitative correction relation corresponding to the first element; acquiring a first ultraviolet visible near infrared absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element, and removing the first ultraviolet visible near infrared absorption spectrum from the ultraviolet visible near infrared absorption spectrum to acquire a second ultraviolet visible near infrared absorption spectrum corresponding to a second element corresponding to the post-acquired element concentration; and acquiring a second peak area of the second element at a second characteristic absorption peak according to the second ultraviolet visible near infrared absorption spectrum, and acquiring a second element concentration corresponding to the second peak area according to a predetermined second quantitative correction relation corresponding to the second element, so that the element concentration can be accurately acquired.
The embodiment of the element concentration obtaining device based on spectral analysis provided in the embodiment of the present invention may be specifically used to execute the processing flow of each method embodiment, and the functions thereof are not described herein in detail, and reference may be made to the detailed description of the method embodiments.
Fig. 9 is a schematic diagram of an entity structure of an electronic device according to an embodiment of the present invention, as shown in fig. 9, where the electronic device includes: a processor (processor) 901, a memory (memory) 902, and a bus 903;
wherein, the processor 901 and the memory 902 complete communication with each other through the bus 903;
The processor 901 is configured to call the program instructions in the memory 902 to perform the methods provided in the above method embodiments, for example, including:
Acquiring an ultraviolet visible near infrared absorption spectrum of a mixed organic solution to be detected, analyzing the mixed organic solution to be detected to obtain a comparison result of hexavalent uranium concentration and tetravalent plutonium concentration, and determining the sequence of acquiring element concentration according to the comparison result; the mixed organic solution to be detected is an organic solution mixed with tetravalent plutonium and hexavalent uranium;
Acquiring a first peak area of a first element at a first characteristic absorption peak corresponding to the first acquired element concentration according to the ultraviolet-visible near infrared absorption spectrum, and acquiring a first element concentration corresponding to the first peak area according to a predetermined first quantitative correction relation corresponding to the first element;
acquiring a first ultraviolet visible near infrared absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element, and removing the first ultraviolet visible near infrared absorption spectrum from the ultraviolet visible near infrared absorption spectrum to acquire a second ultraviolet visible near infrared absorption spectrum corresponding to a second element corresponding to the post-acquired element concentration;
And obtaining a second peak area of the second element at a second characteristic absorption peak according to the second ultraviolet-visible near infrared absorption spectrum, and obtaining a second element concentration corresponding to the second peak area according to a predetermined second quantitative correction relation corresponding to the second element.
The present embodiment discloses a computer program product comprising a computer program stored on a non-transitory computer readable storage medium, the computer program comprising program instructions which, when executed by a computer, are capable of performing the methods provided by the above-described method embodiments, for example comprising:
Acquiring an ultraviolet visible near infrared absorption spectrum of a mixed organic solution to be detected, analyzing the mixed organic solution to be detected to obtain a comparison result of hexavalent uranium concentration and tetravalent plutonium concentration, and determining the sequence of acquiring element concentration according to the comparison result; the mixed organic solution to be detected is an organic solution mixed with tetravalent plutonium and hexavalent uranium;
Acquiring a first peak area of a first element at a first characteristic absorption peak corresponding to the first acquired element concentration according to the ultraviolet-visible near infrared absorption spectrum, and acquiring a first element concentration corresponding to the first peak area according to a predetermined first quantitative correction relation corresponding to the first element;
acquiring a first ultraviolet visible near infrared absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element, and removing the first ultraviolet visible near infrared absorption spectrum from the ultraviolet visible near infrared absorption spectrum to acquire a second ultraviolet visible near infrared absorption spectrum corresponding to a second element corresponding to the post-acquired element concentration;
And obtaining a second peak area of the second element at a second characteristic absorption peak according to the second ultraviolet-visible near infrared absorption spectrum, and obtaining a second element concentration corresponding to the second peak area according to a predetermined second quantitative correction relation corresponding to the second element.
The present embodiment provides a computer-readable storage medium storing a computer program that causes the computer to execute the methods provided by the above-described method embodiments, for example, including:
Acquiring an ultraviolet visible near infrared absorption spectrum of a mixed organic solution to be detected, analyzing the mixed organic solution to be detected to obtain a comparison result of hexavalent uranium concentration and tetravalent plutonium concentration, and determining the sequence of acquiring element concentration according to the comparison result; the mixed organic solution to be detected is an organic solution mixed with tetravalent plutonium and hexavalent uranium;
Acquiring a first peak area of a first element at a first characteristic absorption peak corresponding to the first acquired element concentration according to the ultraviolet-visible near infrared absorption spectrum, and acquiring a first element concentration corresponding to the first peak area according to a predetermined first quantitative correction relation corresponding to the first element;
acquiring a first ultraviolet visible near infrared absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element, and removing the first ultraviolet visible near infrared absorption spectrum from the ultraviolet visible near infrared absorption spectrum to acquire a second ultraviolet visible near infrared absorption spectrum corresponding to a second element corresponding to the post-acquired element concentration;
And obtaining a second peak area of the second element at a second characteristic absorption peak according to the second ultraviolet-visible near infrared absorption spectrum, and obtaining a second element concentration corresponding to the second peak area according to a predetermined second quantitative correction relation corresponding to the second element.
It will be appreciated by those skilled in the art that embodiments of the present invention may be provided as a method, system, or computer program product. Accordingly, the present invention may take the form of an entirely hardware embodiment, an entirely software embodiment or an embodiment combining software and hardware aspects. Furthermore, the present invention may take the form of a computer program product embodied on one or more computer-usable storage media (including, but not limited to, disk storage, CD-ROM, optical storage, and the like) having computer-usable program code embodied therein.
The present invention is described with reference to flowchart illustrations and/or block diagrams of methods, apparatus (systems) and computer program products according to embodiments of the invention. It will be understood that each flow and/or block of the flowchart illustrations and/or block diagrams, and combinations of flows and/or blocks in the flowchart illustrations and/or block diagrams, can be implemented by computer program instructions. These computer program instructions may be provided to a processor of a general purpose computer, special purpose computer, embedded processor, or other programmable data processing apparatus to produce a machine, such that the instructions, which execute via the processor of the computer or other programmable data processing apparatus, create means for implementing the functions specified in the flowchart flow or flows and/or block diagram block or blocks.
These computer program instructions may also be stored in a computer-readable memory that can direct a computer or other programmable data processing apparatus to function in a particular manner, such that the instructions stored in the computer-readable memory produce an article of manufacture including instruction means which implement the function specified in the flowchart flow or flows and/or block diagram block or blocks.
These computer program instructions may also be loaded onto a computer or other programmable data processing apparatus to cause a series of operational steps to be performed on the computer or other programmable apparatus to produce a computer implemented process such that the instructions which execute on the computer or other programmable apparatus provide steps for implementing the functions specified in the flowchart flow or flows and/or block diagram block or blocks.
In the description of the present specification, reference to the terms "one embodiment," "one particular embodiment," "some embodiments," "for example," "an example," "a particular example," or "some examples," etc., means that a particular feature, structure, material, or characteristic described in connection with the embodiment or example is included in at least one embodiment or example of the invention. In this specification, schematic representations of the above terms do not necessarily refer to the same embodiments or examples. Furthermore, the particular features, structures, materials, or characteristics described may be combined in any suitable manner in any one or more embodiments or examples.
The foregoing description of the embodiments has been provided for the purpose of illustrating the general principles of the invention, and is not meant to limit the scope of the invention, but to limit the invention to the particular embodiments, and any modifications, equivalents, improvements, etc. that fall within the spirit and principles of the invention are intended to be included within the scope of the invention.
Claims (10)
1. A method for obtaining element concentration based on spectral analysis, comprising:
Acquiring an ultraviolet visible near infrared absorption spectrum of a mixed organic solution to be detected, analyzing the mixed organic solution to be detected to obtain a comparison result of hexavalent uranium concentration and tetravalent plutonium concentration, and determining the sequence of acquiring element concentration according to the comparison result; the mixed organic solution to be detected is an organic solution mixed with tetravalent plutonium and hexavalent uranium;
Acquiring a first peak area of a first element at a first characteristic absorption peak corresponding to the first acquired element concentration according to the ultraviolet-visible near infrared absorption spectrum, and acquiring a first element concentration corresponding to the first peak area according to a predetermined first quantitative correction relation corresponding to the first element;
acquiring a first ultraviolet visible near infrared absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element, and removing the first ultraviolet visible near infrared absorption spectrum from the ultraviolet visible near infrared absorption spectrum to acquire a second ultraviolet visible near infrared absorption spectrum corresponding to a second element corresponding to the post-acquired element concentration;
And obtaining a second peak area of the second element at a second characteristic absorption peak according to the second ultraviolet-visible near infrared absorption spectrum, and obtaining a second element concentration corresponding to the second peak area according to a predetermined second quantitative correction relation corresponding to the second element.
2. The method for obtaining element concentrations based on spectral analysis according to claim 1, wherein determining the order of obtaining element concentrations according to the comparison result comprises:
If the hexavalent uranium concentration is determined to be greater than the tetravalent plutonium concentration, determining to acquire the hexavalent uranium concentration first and then acquiring the tetravalent plutonium concentration;
And if the hexavalent uranium concentration is determined to be smaller than the tetravalent plutonium concentration, determining to acquire the tetravalent plutonium concentration first, and then acquiring the hexavalent uranium concentration.
3. The method for obtaining element concentration based on spectral analysis according to claim 1, wherein the obtaining a first peak area at a first characteristic absorption peak of a first element corresponding to a first obtained element concentration from the ultraviolet visible near infrared absorption spectrum includes:
performing second derivative treatment on the ultraviolet visible near infrared absorption spectrum to obtain a second derivative absorption spectrum of the mixed organic solution to be detected;
determining the tetravalent plutonium and the hexavalent uranium according to characteristic absorption peaks in a second-derivative absorption spectrum of the mixed organic solution to be detected;
taking the tetravalent plutonium or the hexavalent uranium as the first element, and acquiring a first peak area of the first element at a first characteristic absorption peak.
4. The method for obtaining an element concentration based on spectral analysis according to claim 1, wherein obtaining a first uv-vis-nir absorption spectrum corresponding to the first element based on the first element concentration and a first molar extinction coefficient corresponding to the first element comprises:
multiplying the first element concentration and the first molar extinction coefficient, and taking the obtained product as the first ultraviolet-visible near-infrared absorption spectrum.
5. The method for obtaining element concentration based on spectral analysis according to claim 1, wherein the obtaining a second peak area of the second element at a second characteristic absorption peak from the second ultraviolet-visible-near-infrared absorption spectrum includes:
performing second derivative treatment on the second ultraviolet visible near infrared absorption spectrum to obtain a second derivative absorption spectrum of a second element solution;
And determining a characteristic absorption peak in a second derivative absorption spectrum of the second element solution as the second characteristic absorption peak, and acquiring a second peak area of the second element at the second characteristic absorption peak.
6. The method for obtaining an element concentration based on a spectral analysis according to any one of claims 1 to 5, wherein the method for obtaining an element concentration based on a spectral analysis further comprises:
if the first element is determined to be the hexavalent uranium, the first quantitative correction relational expression is:
S1＝1.46c1；
Wherein, S1 is the peak area of the characteristic absorption peak corresponding to the hexavalent uranium, and c1 is the concentration of the hexavalent uranium;
Correspondingly, the second quantitative correction relationship expression is:
S2＝21.9c2；
wherein S2 is a peak area at a characteristic absorption peak corresponding to the tetravalent plutonium, and c2 is the tetravalent plutonium concentration.
7. The method for obtaining an element concentration based on a spectral analysis according to any one of claims 1 to 5, wherein the method for obtaining an element concentration based on a spectral analysis further comprises:
if it is determined that the first element is the tetravalent plutonium, the first quantitative correction relational expression is:
S1’＝21.9c1’；
wherein S1 'is a peak area at a characteristic absorption peak corresponding to the tetravalent plutonium, and c1' is the tetravalent plutonium concentration;
Correspondingly, the second quantitative correction relationship expression is:
S2’＝1.46c2’；
Wherein S2 'is the peak area of the characteristic absorption peak corresponding to the hexavalent uranium, and c2' is the hexavalent uranium concentration.
8. An element concentration acquisition device based on spectral analysis, characterized by comprising:
the device comprises a first acquisition unit, a second acquisition unit and a control unit, wherein the first acquisition unit is used for acquiring an ultraviolet visible near infrared absorption spectrum of a mixed organic solution to be detected, analyzing the mixed organic solution to be detected to obtain a comparison result of hexavalent uranium concentration and tetravalent plutonium concentration, and determining the sequence of acquiring element concentration according to the comparison result; the mixed organic solution to be detected is an organic solution mixed with tetravalent plutonium and hexavalent uranium;
A second acquisition unit, configured to acquire a first peak area of a first element at a first characteristic absorption peak corresponding to a first acquired element concentration according to the ultraviolet visible near infrared absorption spectrum, and acquire a first element concentration corresponding to the first peak area according to a predetermined first quantitative correction relationship corresponding to the first element;
a third obtaining unit, configured to obtain a first uv-vis-nir absorption spectrum corresponding to the first element according to the first element concentration and a first molar extinction coefficient corresponding to the first element, and remove the first uv-vis-nir absorption spectrum from the uv-vis-nir absorption spectrum, so as to obtain a second uv-vis-nir absorption spectrum corresponding to a second element corresponding to the post-obtained element concentration;
A fourth obtaining unit, configured to obtain a second peak area of the second element at a second characteristic absorption peak according to the second ultraviolet visible near infrared absorption spectrum, and obtain a second element concentration corresponding to the second peak area according to a predetermined second quantitative correction relationship corresponding to the second element.
9. An electronic device comprising a memory, a processor and a computer program stored on the memory and executable on the processor, characterized in that the processor implements the steps of the method of any one of claims 1 to 7 when the computer program is executed by the processor.
10. A computer readable storage medium, on which a computer program is stored, characterized in that the computer program, when being executed by a processor, implements the steps of the method according to any one of claims 1to 7.
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