CN112946160B - Method, system and equipment for calculating contribution rate of active substance and storage medium thereof - Google Patents
Method, system and equipment for calculating contribution rate of active substance and storage medium thereof Download PDFInfo
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- 238000000034 method Methods 0.000 title claims abstract description 57
- 239000013543 active substance Substances 0.000 title claims abstract description 38
- SEEPANYCNGTZFQ-UHFFFAOYSA-N sulfadiazine Chemical compound C1=CC(N)=CC=C1S(=O)(=O)NC1=NC=CC=N1 SEEPANYCNGTZFQ-UHFFFAOYSA-N 0.000 claims abstract description 126
- 229960004306 sulfadiazine Drugs 0.000 claims abstract description 125
- 238000006731 degradation reaction Methods 0.000 claims abstract description 99
- 239000002131 composite material Substances 0.000 claims abstract description 76
- 239000000843 powder Substances 0.000 claims abstract description 75
- 239000012425 OXONE® Substances 0.000 claims abstract description 63
- HJKYXKSLRZKNSI-UHFFFAOYSA-I pentapotassium;hydrogen sulfate;oxido sulfate;sulfuric acid Chemical compound [K+].[K+].[K+].[K+].[K+].OS([O-])(=O)=O.[O-]S([O-])(=O)=O.OS(=O)(=O)O[O-].OS(=O)(=O)O[O-] HJKYXKSLRZKNSI-UHFFFAOYSA-I 0.000 claims abstract description 63
- 230000015556 catabolic process Effects 0.000 claims abstract description 59
- 150000001875 compounds Chemical class 0.000 claims abstract description 57
- 238000004364 calculation method Methods 0.000 claims abstract description 40
- 230000000593 degrading effect Effects 0.000 claims abstract description 26
- 238000004422 calculation algorithm Methods 0.000 claims abstract description 7
- -1 hydroxyl radicals Chemical class 0.000 claims description 124
- WPYMKLBDIGXBTP-UHFFFAOYSA-N benzoic acid Chemical compound OC(=O)C1=CC=CC=C1 WPYMKLBDIGXBTP-UHFFFAOYSA-N 0.000 claims description 87
- LQNUZADURLCDLV-UHFFFAOYSA-N nitrobenzene Chemical compound [O-][N+](=O)C1=CC=CC=C1 LQNUZADURLCDLV-UHFFFAOYSA-N 0.000 claims description 72
- 150000003254 radicals Chemical class 0.000 claims description 52
- 239000005711 Benzoic acid Substances 0.000 claims description 44
- 235000010233 benzoic acid Nutrition 0.000 claims description 43
- TUJKJAMUKRIRHC-UHFFFAOYSA-N hydroxyl Chemical compound [OH] TUJKJAMUKRIRHC-UHFFFAOYSA-N 0.000 claims description 43
- 238000006243 chemical reaction Methods 0.000 claims description 28
- 239000011149 active material Substances 0.000 claims description 27
- 230000008569 process Effects 0.000 claims description 23
- 238000007254 oxidation reaction Methods 0.000 claims description 22
- 230000005855 radiation Effects 0.000 claims description 17
- 125000002887 hydroxy group Chemical group [H]O* 0.000 claims description 14
- 238000005070 sampling Methods 0.000 claims description 7
- QAOWNCQODCNURD-UHFFFAOYSA-L Sulfate Chemical compound [O-]S([O-])(=O)=O QAOWNCQODCNURD-UHFFFAOYSA-L 0.000 claims description 4
- 238000002474 experimental method Methods 0.000 claims description 4
- XLYOFNOQVPJJNP-UHFFFAOYSA-N water Substances O XLYOFNOQVPJJNP-UHFFFAOYSA-N 0.000 abstract description 4
- 239000007791 liquid phase Substances 0.000 description 9
- 230000000694 effects Effects 0.000 description 8
- 230000003647 oxidation Effects 0.000 description 8
- USHAGKDGDHPEEY-UHFFFAOYSA-L potassium persulfate Chemical class [K+].[K+].[O-]S(=O)(=O)OOS([O-])(=O)=O USHAGKDGDHPEEY-UHFFFAOYSA-L 0.000 description 8
- 238000010586 diagram Methods 0.000 description 6
- 239000005416 organic matter Substances 0.000 description 5
- 230000003213 activating effect Effects 0.000 description 4
- 239000003344 environmental pollutant Substances 0.000 description 4
- 230000003287 optical effect Effects 0.000 description 4
- 239000007800 oxidant agent Substances 0.000 description 4
- 230000001590 oxidative effect Effects 0.000 description 4
- 239000003153 chemical reaction reagent Substances 0.000 description 3
- 230000008878 coupling Effects 0.000 description 3
- 238000010168 coupling process Methods 0.000 description 3
- 238000005859 coupling reaction Methods 0.000 description 3
- 238000001514 detection method Methods 0.000 description 3
- 238000010813 internal standard method Methods 0.000 description 3
- 238000012986 modification Methods 0.000 description 3
- 230000004048 modification Effects 0.000 description 3
- 239000002957 persistent organic pollutant Substances 0.000 description 3
- 231100000719 pollutant Toxicity 0.000 description 3
- 238000011160 research Methods 0.000 description 3
- FAPWRFPIFSIZLT-UHFFFAOYSA-M Sodium chloride Chemical compound [Na+].[Cl-] FAPWRFPIFSIZLT-UHFFFAOYSA-M 0.000 description 2
- 230000008859 change Effects 0.000 description 2
- 238000004891 communication Methods 0.000 description 2
- 238000004590 computer program Methods 0.000 description 2
- 230000007547 defect Effects 0.000 description 2
- 238000013461 design Methods 0.000 description 2
- 239000003651 drinking water Substances 0.000 description 2
- 235000020188 drinking water Nutrition 0.000 description 2
- 238000007726 management method Methods 0.000 description 2
- 238000013064 process characterization Methods 0.000 description 2
- 238000012545 processing Methods 0.000 description 2
- 239000004065 semiconductor Substances 0.000 description 2
- NAWXUBYGYWOOIX-SFHVURJKSA-N (2s)-2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid Chemical compound C1=CC2=NC(N)=NC(N)=C2C=C1CCC1=CC=C(C(=O)N[C@@H](CC(=C)C(O)=O)C(O)=O)C=C1 NAWXUBYGYWOOIX-SFHVURJKSA-N 0.000 description 1
- 230000004913 activation Effects 0.000 description 1
- 238000009303 advanced oxidation process reaction Methods 0.000 description 1
- 238000004458 analytical method Methods 0.000 description 1
- 239000008139 complexing agent Substances 0.000 description 1
- 239000000645 desinfectant Substances 0.000 description 1
- 230000000249 desinfective effect Effects 0.000 description 1
- 238000011835 investigation Methods 0.000 description 1
- 230000007246 mechanism Effects 0.000 description 1
- 239000011780 sodium chloride Substances 0.000 description 1
- 239000007787 solid Substances 0.000 description 1
- 239000003381 stabilizer Substances 0.000 description 1
- 238000004659 sterilization and disinfection Methods 0.000 description 1
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- G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
- G01N31/00—Investigating or analysing non-biological materials by the use of the chemical methods specified in the subgroup; Apparatus specially adapted for such methods
- G01N31/005—Investigating or analysing non-biological materials by the use of the chemical methods specified in the subgroup; Apparatus specially adapted for such methods investigating the presence of an element by oxidation
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Abstract
The invention provides a method, a system, equipment and a storage medium for calculating the contribution rate of active substances, comprising the following steps: s1, degrading sulfadiazine in water by using UV/potassium monopersulfate composite powder, and collecting the residual concentration of the sulfadiazine according to a preset time interval; calculating the degradation amount of sulfadiazine at continuous time intervals; s2, adding a first reference compound, and collecting the concentration of the first reference compound; calculating the contribution amount of hydroxyl radicals in continuous time intervals; s3, adding a second reference compound, and collecting the concentration of the second reference compound; calculating the contribution amount of sulfate radicals in continuous time intervals; s4, deducting the contribution amount of hydroxyl radicals and the contribution amount of sulfate radicals from the degradation amount of sulfadiazine in the continuous time interval to obtain the contribution amounts of other free radicals in the continuous time interval; and S5, building a Python algorithm frame, and loading the contribution calculation methods of the three free radicals into the algorithm frame to obtain respective contribution rates. The invention can calculate the contribution rate of the active substance with high efficiency.
Description
Technical Field
The invention relates to the technical field of organic matter contribution rate calculation, in particular to a method, a system and equipment for calculating the contribution rate of active substances and a storage medium thereof.
Background
The ultraviolet/potassium monopersulfate is one of research hotspots of advanced oxidation processes in the field of water treatment in recent years, the potassium monopersulfate can generate hydroxyl radicals and sulfate radicals under the activation of ultraviolet, the potassium monopersulfate composite powder is a composite oxidant, the main component of the potassium monopersulfate is potassium monopersulfate (45%), and in addition, 5% of sodium chloride, other complexing agents, stabilizers and the like are also contained. The potassium monopersulfate composite powder can be used as an efficient oxidant, can also be used as a novel drinking water disinfectant, and has the effects of degrading various pollutants and disinfecting water. The method has been widely applied in the aspects of advanced oxidation and drinking water disinfection due to the characteristics of low cost, convenient addition and the like.
However, the research on the types of active substances and the contribution rate of pollutants degradation of the ultraviolet/potassium monopersulfate composite powder oxidation system is still in a short stage. In order to identify active substances existing in a system and calculate the contribution rate of each active substance, research reports at present can select a proper reference compound to indirectly identify the active substances in an oxidation system, and obtain a data information joint equation to solve the contribution rate of each active substance. Although the method can effectively identify the active substances in the oxidation system, the method also has the defects that the contribution rate of the active substances at any time node cannot be accurately and quickly obtained in the process of oxidizing and degrading pollutants, and the method needs to be substituted into a formula again for calculation, so that the workload of calculating the contribution rate of the active substances is greatly increased. In fact, the existing active substance contribution rate calculation method does not link the process characterization of the calculation of the contribution rate with the kinetic information and a more flexible computer programming algorithm, and establishes a more comprehensive, rapid and accurate method for calculating the contribution rate of the active substance in the oxidation system, so how to rapidly and accurately calculate the contribution rate of the active substance in the oxidation system becomes a problem to be solved urgently.
Disclosure of Invention
In view of the above-mentioned shortcomings of the prior art, the present invention aims to provide a method, a system, a device and a storage medium thereof for calculating an active material contribution rate, which are used for solving the problems of large calculation amount and low accuracy of the active material contribution rate.
To achieve the above and other related objects, the present invention provides a method for calculating a contribution rate of an active substance, the method at least comprising:
s1, degrading sulfadiazine by using UV/potassium monopersulfate composite powder, and collecting the residual concentration of the sulfadiazine according to a preset time interval in the degradation process; calculating the degradation amount of the sulfadiazine in n continuous time intervals and the average degradation amount of each time interval according to the collected residual concentration of the sulfadiazine;
s2, adding a first reference compound in the same degradation process as the S1, and collecting the residual concentration of the first reference compound according to the time interval in the degradation process; calculating the contribution amount of hydroxyl radicals in the UV/potassium monopersulfate composite powder in n continuous time intervals according to the collected concentration of the first reference compound;
s3, adding a second reference compound in the same degradation process as the S1, and collecting the residual concentration of the second reference compound according to the time interval in the degradation process; calculating the contribution amount of sulfate radicals in the UV/potassium monopersulfate composite powder in n continuous time intervals according to the collected concentration of the second reference compound;
s4, deducting the contribution amount of the hydroxyl radical and the contribution amount of the sulfate radical from the degradation amount of the sulfadiazine in n continuous time intervals to obtain the contribution amounts of other radicals in the UV/potassium monopersulfate composite powder in n continuous time intervals;
s5, building a Python algorithm framework, and calculating the contribution rates of three active substances, namely the hydroxyl radicals, the sulfate radicals and the other radicals in n continuous time intervals according to the contribution amount of the hydroxyl radicals, the contribution amount of the sulfate radicals and the contribution amount of the other radicals in n continuous time intervals;
wherein the first reference compound is nitrobenzene and the second reference compound is benzoic acid.
In an embodiment of the present invention, the S1 includes:
s11, carrying out a degradation experiment on the sulfadiazine by using the UV/potassium monopersulfate composite powder: in the experimental process, continuously collecting the residual concentration of sulfadiazine in the solution according to the preset time interval;
s12, calculating the degradation amount of the sulfadiazine in n continuous time intervals according to the collected residual concentration of the sulfadiazine:
wherein,
for said sulfadiazine at t n Residual concentration at time t 0 ,t 1 ,t 2 ,...,t n Is the sampling instant of the remaining concentration of sulfadiazine;
s13, calculating the average degradation amount of the sulfadiazine in each time interval:
In an embodiment of the invention, the S2 at least includes:
s21, in the same degradation process as the S1, adding nitrobenzene to perform light radiation oxidation reaction, and continuously collecting the residual concentration of the nitrobenzene according to the preset time interval;
s22, calculating the generation amount of the hydroxyl radicals in the UV/potassium monopersulfate composite powder in each time interval:
wherein,
represents the amount of the hydroxyl radical generated, k, in the ith time interval HO·/NB Is a pseudo first order reaction rate constant of the hydroxyl radical and the nitrobenzene,
is said nitrobenzene in t i The remaining concentration at that moment;
s23, calculating the contribution amount of the hydroxyl free radicals in each time interval according to the generation amount of the hydroxyl free radicals in each time interval and the residual concentration of the sulfadiazine:
wherein k is HO·/SDZ Is the pseudo-first order reaction rate constant of the hydroxyl radical and the sulfadiazine;
represents the average amount of degradation of said sulfadiazine during the ith said time interval;
and S24, accumulating the contribution amount of the hydroxyl free radicals in each time interval to obtain the contribution amount of the hydroxyl free radicals in the continuous n time intervals.
In an embodiment of the present invention, the S3 at least includes:
s31, in the same degradation process as the S1, adding the benzoic acid to perform light radiation oxidation reaction, and continuously collecting the residual concentration of the benzoic acid according to the preset time interval;
s32, calculating the generation amount of the sulfate radicals in the UV/potassium monopersulfate composite powder in each time interval:
wherein,
the amount of the sulfate radical generated in the ith time interval,
for said benzoic acid at t i Residual concentration at time, k HO·/BA Is said hydroxyl radical withA pseudo first order reaction rate constant for the benzoic acid;
is a pseudo first order reaction rate constant of the sulfate radical with the benzoic acid,
represents the amount of the hydroxyl radical generated in the ith time interval;
s33, calculating the contribution amount of the sulfate radicals in each time interval according to the generation amount of the sulfate radicals:
wherein,
is a pseudo-first order reaction rate constant of the sulfate radical and the sulfadiazine,
representing the average amount of degradation of said sulfadiazine in the ith said time interval;
and S34, accumulating the contribution amount of the sulfate radical in each time interval to obtain the contribution amount of the sulfate radical in n continuous time intervals.
The invention also provides a system for calculating the contribution rate of an active substance, said system comprising at least:
the degradation amount calculation unit is used for degrading sulfadiazine by using UV/potassium monopersulfate composite powder, and the residual concentration of the sulfadiazine is collected according to a preset time interval in the degradation process; calculating the degradation amount of the sulfadiazine in n continuous time intervals and the average degradation amount of each time interval according to the collected residual concentration of the sulfadiazine;
a hydroxyl radical contribution amount calculation unit, which is used for adding a first reference compound in the same degradation process as the sulfadiazine degradation amount calculation unit, and collecting the residual concentration of the first reference compound according to the time interval in the degradation process; calculating the contribution amount of hydroxyl radicals in the UV/potassium monopersulfate composite powder in n continuous time intervals according to the collected residual concentration of the first reference compound;
a sulfate radical contribution amount calculating unit, which is used for adding a second reference compound in the same degradation process as the sulfadiazine degradation amount calculating unit, and collecting the residual concentration of the second reference compound according to the time interval in the degradation process; calculating the contribution amount of sulfate radicals in the UV/potassium monopersulfate composite powder in n continuous time intervals according to the collected residual concentration of the second reference compound;
the other free radical contribution calculating unit is used for deducting the contribution of the hydroxyl free radical and the contribution of the sulfate free radical from the degradation amount of the sulfadiazine respectively to obtain the contribution of other free radicals in the UV/potassium monopersulfate composite powder in n continuous time intervals;
an active material contribution rate calculation unit configured to calculate, from the contribution amounts of the hydroxyl radicals, the sulfate radicals, and the other radicals in n consecutive time intervals, contribution rates of three active materials, namely the hydroxyl radicals, the sulfate radicals, and the other radicals in n consecutive time intervals;
wherein the first reference compound is nitrobenzene and the second reference compound is benzoic acid.
In an embodiment of the invention, the active material contribution ratio calculating unit calculates the active material contribution ratio R according to the following formula:
wherein,
for the contribution of said other radicals in n consecutive said time intervals,
the contribution of the hydroxyl radical in n consecutive time intervals,
for a contributing amount of said sulfate radicals in n consecutive said time intervals,
for said sulfadiazine at an initial time t 0 The concentration of (2).
In an embodiment of the present invention, an apparatus for calculating an active material contribution rate further includes: a processor coupled to a memory, the memory storing program instructions that, when executed by the processor, implement the method of calculating an active material contribution ratio as described above.
In an embodiment of the present invention, a computer-readable storage medium includes: comprising a program which, when run on a computer, causes the computer to carry out the method of calculating the active substance contribution ratio as described above.
As described above, the present invention provides a method, a system, an apparatus, and a storage medium for calculating the contribution rate of an active material to degrade an organic pollutant, which can calculate the contribution rate of the active material to degrade the organic pollutant in an advanced oxidation system quickly and accurately by calculating the contribution rate of each active material using an appropriate reference compound.
Drawings
In order to more clearly illustrate the embodiments of the present invention or the technical solutions in the prior art, the drawings used in the description of the embodiments or the prior art will be briefly described below, it is obvious that the drawings in the following description are only some embodiments of the present invention, and for those skilled in the art, other drawings can be obtained according to the drawings without creative efforts.
Fig. 1 is a schematic flow chart illustrating a method for calculating an active material contribution rate according to an embodiment of the present invention.
Fig. 2 is a schematic flow chart of step S1 according to an embodiment of the present invention.
Fig. 3 is a flowchart illustrating step S2 according to an embodiment of the present invention.
Fig. 4 is a flowchart illustrating step S3 according to an embodiment of the present invention.
Fig. 5 is a schematic diagram of a schematic structure of a system for calculating the contribution ratio of active material according to an embodiment of the present invention.
FIG. 6 is a block diagram of a hydroxyl radical contribution calculating unit according to an embodiment of the present invention.
FIG. 7 is a block diagram of a unit for calculating contribution of sulfate radicals according to an embodiment of the present invention.
Reference numerals
1. System for calculating contribution rate of active substance
11. Sulfadiazine degradation amount calculation unit
12. Hydroxyl radical contribution amount calculation unit
121. Nitrobenzene residual concentration acquisition module
122. Hydroxyl radical generation amount calculation module
123. Module for calculating contribution of hydroxyl radical per unit time
124. Module for calculating contribution of hydroxyl radical in continuous n time intervals
13. Sulfate radical contribution amount calculation unit
131. Benzoic acid residual concentration acquisition module
132. Sulfate radical generation amount calculation module
133. Module for calculating contribution of sulfate radical in unit time
134. Module for calculating contribution of sulfate radical in continuous n time intervals
14. Calculating unit for contribution of other free radicals in n continuous time intervals
15. Active material contribution rate calculation unit
S1 to S5
S11 to S13S 1
S21 to S24S 2
Steps S31 to S34S 3
Detailed Description
The following embodiments of the present invention are provided by specific examples, and other advantages and effects of the present invention will be readily apparent to those skilled in the art from the disclosure of the present invention. The present invention may be embodied or applied in various other specific forms, and the terms "upper", "lower", "left", "right", "middle" and "a" used herein are for convenience of description only and are not intended to limit the scope of the present invention, and changes or modifications in relative relationship thereto are deemed to be within the scope of the present invention without substantial change in technical content.
It should be noted that the drawings provided in the present embodiment are only for schematically illustrating the basic idea of the present invention, and although the drawings only show the components related to the present invention and are not drawn according to the number, shape and size of the components in actual implementation, the form, quantity and proportion of each component in actual implementation may be arbitrarily changed, and the layout of the components may be more complicated.
The potassium monopersulfate composite powder is usually used as an oxidant for degrading the polluted organic matter, and when the polluted organic matter is sulfadiazine, the UV combined potassium monopersulfate composite powder is used for degrading the polluted organic matter, so that a good degradation effect can be achieved. According to literature investigation, the UV/potassium monopersulfate composite powder contains three active substances, namely hydroxyl radicals, sulfate radicals and other radicals, and the three active substances have certain degradation effect on the sulfadiazine which is a pollution organic matter, and in order to better understand the respective contribution rates of the active substances in the sulfadiazine degradation process, the calculation method, the system, the equipment and the storage medium of the contribution rate of the active substances are that in the degradation process of the UV/potassium monopersulfate composite powder on the sulfadiazine which is a micro-pollutant in a water body, the accurate contribution rate of the three active substances, namely the hydroxyl radicals, the sulfate radicals and the other radicals contained in the UV/potassium monopersulfate composite powder on the sulfadiazine degradation can be analyzed and calculated by respectively adding the reference compounds, the contribution effect of the active substances generated by the UV/potassium monopersulfate composite powder system on the sulfadiazine degradation is realized, and finally, a certain theoretical basis is provided for the mechanism analysis of the UV/potassium monopersulfate composite powder on the sulfadiazine degradation.
As shown in fig. 1, the present embodiment discloses a method for calculating a contribution rate of an active material, which at least includes:
s1, degrading sulfadiazine solution by using UV/potassium monopersulfate composite powder, wherein in the degradation process, the residual concentration of sulfadiazine is collected according to a preset time interval; and calculating the degradation amount of the sulfadiazine in n continuous time intervals and the average degradation amount of each time interval according to the collected residual concentration of the sulfadiazine.
As shown in fig. 2, a schematic flow chart of step S1 in the present invention is described. The method can comprise the following steps:
s11, carrying out a degradation experiment on the sulfadiazine by using the UV/potassium monopersulfate composite powder: and in the experimental process, continuously collecting the residual concentration of the sulfadiazine in the solution according to the preset time interval.
In one embodiment of the present invention, the experiment environment should maintain proper ph and UV radiation intensity: for example, when the pH value is 6.0, the UV radiation intensity is 272mw.cm -2 Under the conditions of (a). Adding potassium monopersulfate composite powder with the concentration of 50mg/L as an oxidizing agent into a culture dish containing Sulfadiazine (SDZ) solution to obtain the initial sulfadiazineThe concentration was 5mg/L. And carrying out light radiation oxidation reaction. Taking a proper amount of samples after the oxidation reaction into a liquid phase small bottle at preset time intervals, wherein the value of the samples is related to the experimental environment and the dosage of the reagent, and can be 1ml for example. The liquid phase detection was followed by addition of a terminator to the liquid phase vial immediately after each sampling, and the remaining concentration of sulfadiazine at each time point was obtained according to the internal standard method.
S12, calculating the degradation amount of the sulfadiazine in n continuous time intervals according to the collected residual concentration of the sulfadiazine:
wherein,
for said sulfadiazine at t n Residual concentration at time t 0 ,t 1 ,t 2 ,...,t n Is the sampling instant of the remaining concentration of sulfadiazine.
In one embodiment of the invention, the following formula (1) is used to calculate the degradation amount of sulfadiazine in n continuous time intervals in the process of degrading sulfadiazine by using UV activated potassium monopersulfate composite powder:
wherein,
denotes sulfadiazine at t n The remaining concentration at the moment of time,
representing the amount of sulfadiazine degradation over n consecutive time intervals, (t) 0 ,t 1 ,t 2 ,...,t n ) Are the respective sampling instants for the remaining concentration of sulfadiazine.
S13, calculating the average degradation amount of the sulfadiazine in each time interval:
In an embodiment of the invention, the following formula (2) is used to respectively calculate the average degradation amount of sulfadiazine in each time interval in the process of degrading sulfadiazine by using the UV activated potassium monopersulfate composite powder:
wherein,
the average degradation amount of sulfadiazine in the ith time interval in the process of degrading sulfadiazine by UV activated potassium monopersulfate composite powder is shown.
S2, adding a first reference compound in the same degradation process as the S1, and collecting the residual concentration of the first reference compound according to the time interval in the degradation process; and calculating the contribution amount of hydroxyl radicals in the UV/potassium monopersulfate composite powder in n continuous time intervals according to the collected concentration of the first reference compound.
Preferably, the first reference compound is nitrobenzene.
As shown in fig. 3, a flow chart of step S2 in the present invention is described. The method can comprise the following steps:
and S21, in the same degradation process as the S1, adding nitrobenzene to perform light radiation oxidation reaction, and continuously collecting the residual concentration of the nitrobenzene according to a preset time interval.
In one embodiment of the present invention, the experimental environment of S1 is kept the same, and will not be explained in detail here. Under ultraviolet radiation, potassium monopersulfate composite powder solution with the concentration of 50mg/L is quickly added into a culture dish containing Nitrobenzene (NB) solution for light radiation oxidation reaction, wherein the concentration of nitrobenzene is 0.7mg/L, the nitrobenzene is used as a reference compound for measuring the generation amount of hydroxyl radicals (HO.) in the UV/potassium monopersulfate composite powder, and a small amount of nitrobenzene has negligible influence on sulfadiazine in the reaction. And taking a proper amount of samples subjected to the light radiation oxidation reaction into a liquid phase small bottle according to a preset time interval. The value of the sample is related to the experimental environment and the dosage of the reagent, for example, 1ml. In order to ensure the accuracy of the experimental effect, a terminator is added into the liquid phase vial immediately after each sampling, and then liquid phase detection is carried out. Finally, the residual concentration of nitrobenzene at each time point was obtained according to the internal standard method.
S22, calculating the generation amount of the hydroxyl radicals in the UV/potassium monopersulfate composite powder in each time interval:
wherein,
represents the amount of the hydroxyl radical generated, k, in the ith time interval HO·/NB Is a pseudo first order reaction rate constant of the hydroxyl radical and the nitrobenzene,
is the nitrobenzene is at t i The remaining concentration at that moment;
in an embodiment of the invention, the amount of hydroxyl radicals generated in the UV/oxone composite powder in each time interval during the process of degrading sulfadiazine by activating the oxone composite powder by UV is calculated by using the following formula (3):
wherein,
represents the amount of hydroxyl radicals generated, k, in the current ith time interval HO·/NB The pseudo first order reaction rate constant of hydroxyl free radical and nitrobenzene is 0.9 multiplied by 10 9 M -1 s -1 ，
Is nitrobenzene at t i-1 The remaining concentration at the moment of time,
is nitrobenzene at t i The remaining concentration at that time.
S23, calculating the contribution amount of the hydroxyl free radicals in each time interval according to the generation amount of the hydroxyl free radicals in each time interval and the residual concentration of sulfadiazine:
wherein k is HO·/SDZ Is the pseudo-first order reaction rate constant of the hydroxyl radical and the sulfadiazine;
representing the average amount of degradation of said sulfadiazine in the ith said time interval;
in one embodiment of the invention, the contribution of hydroxyl radicals in the UV/potassium monopersulfate composite powder in each time interval is calculated in the process of degrading sulfadiazine by UV activated potassium monopersulfate composite powder by using the following formula (4):
wherein k is HO·/SDZ Is the pseudo first order reaction rate constant of hydroxyl free radical and sulfadiazine and is 8.78X 10 9 M -1 s -1 。
And S24, accumulating the contribution amount of the hydroxyl radical in each time interval to obtain the contribution amount of the hydroxyl radical in n continuous time intervals.
In one embodiment of the invention, in the process of degrading sulfadiazine by UV activated potassium monopersulfate composite powder, the contribution amounts of hydroxyl radicals in each time interval are accumulated, and the contribution amounts of the hydroxyl radicals in n continuous time intervals can be obtained. According to the result in S23, the contribution amount of the hydroxyl radical in the process of degrading sulfadiazine by the UV activated potassium monopersulfate composite powder can be calculated in n continuous time intervals by using the following formula (5):
s3, adding a second reference compound in the same degradation process as the S1, and collecting the residual concentration of the second reference compound according to the time interval in the degradation process; and calculating the contribution amount of sulfate radicals in the UV/potassium monopersulfate composite powder in n continuous time intervals according to the collected concentration of the second reference compound.
Preferably, the second reference compound is benzoic acid.
As shown in fig. 4, a flow chart of step S3 in the present invention is described. The method can comprise the following steps:
and S31, adding benzoic acid to perform light radiation oxidation reaction in the same degradation process as S1, and continuously collecting the residual concentration of the benzoic acid according to a preset time interval.
In one embodiment of the present invention, the experimental environment of S1 is kept the same, and will not be explained in detail. Under ultraviolet radiation, rapidly adding potassium monopersulfate composite powder solution with the concentration of 50mg/L into a culture dish containing Benzoic Acid (BA) solution for light radiation oxidation reaction, wherein the concentration of the benzoic acid is 0.7mg/L, and the benzoic acid is used as a reference compound for measuring sulfate radicals in the UV/potassium monopersulfate composite powder
A small amount of benzoic acid had negligible effect on sulfadiazine in the reaction. And taking a proper amount of samples subjected to the light radiation oxidation reaction into a liquid phase small bottle according to a preset time interval. The value of the sample is related to the experimental environment and the dosage of the reagent, for example, 1ml. In order to ensure the accuracy of the experimental effect, a terminator is added into the liquid phase vial immediately after each sampling is completed, and then liquid phase detection is carried out. Finally the residual concentration of benzoic acid at each time point was obtained according to the internal standard method.
S32, calculating the generation amount of the sulfate radicals in the UV/potassium monopersulfate composite powder in each time interval:
wherein,
the amount of the sulfate radical generated in the ith time interval,
for said benzoic acid at t i Residual concentration at time, k HO·/BA Is a pseudo first order reaction rate constant of the hydroxyl radical with the benzoic acid;
is a pseudo-first order reaction rate constant of the sulfate radical with the benzoic acid,
represents the amount of the hydroxyl radical generated in the ith time interval.
In one embodiment of the invention, after the influence of hydroxyl radicals on the experimental system is eliminated, the amount of generated sulfate radicals in the UV/potassium monopersulfate composite powder in each time interval is calculated in the process of degrading sulfadiazine by UV activated potassium monopersulfate composite powder by using the following formula (6):
wherein,
the amount of sulfate radicals generated in the ith time interval,
for benzoic acid at t i-1 The remaining concentration at the moment of time,
is benzoic acid at t i Residual concentration at time, k HO·/BA Is the pseudo first order reaction rate constant of hydroxyl free radical and benzoic acid, and is 4.2 x 10 9 M -1 s -1 ，
Is the pseudo first order reaction rate constant of sulfate radical and the benzoic acid,
indicates the amount of hydroxyl radicals generated in the ith time interval.
S33, calculating the contribution amount of the sulfate radicals in each time interval according to the generation amount of the sulfate radicals:
wherein,
the amount of sulfate radicals generated in the ith time interval,
is benzoic acid at t i Residual concentration at time, k HO·/BA Is a pseudo first-order reaction rate constant of hydroxyl free radical and benzoic acid,
represents the average amount of degradation of said sulfadiazine in the ith said time interval.
In one embodiment of the invention, the contribution of sulfate radicals in the UV/oxone composite powder in each time interval is calculated in the process of degrading sulfadiazine by UV-activated oxone composite powder by using the following formula (7):
wherein,
the pseudo first order reaction rate constant of sulfate radical and sulfadiazine is 1.8 x 10 9 M - 1 s -1 。
And S34, accumulating the contribution amount of the sulfate radicals in each time interval to obtain the contribution amount of the sulfate radicals in the continuous n time intervals.
In an embodiment of the present invention, according to the result in S33, the contribution amounts of sulfate radicals in the UV/oxone composite powder during n consecutive time intervals in the process of degrading sulfadiazine by UV activated oxone composite powder can be calculated by adding the contribution amounts of sulfate radicals in each time interval according to the following formula (8):
and S4, deducting the degradation amount of the sulfadiazine in the continuous n time intervals by the contribution amount of the hydroxyl free radical and the contribution amount of the sulfate free radical respectively to obtain the contribution amounts of other free radicals in the UV/potassium monopersulfate composite powder in the continuous n time intervals.
Since the degradation treatment of sulfadiazine solution is the same in the above steps, except that the first reference compound and the second reference compound are added in the steps S2 and S3, respectively, the contribution amount of hydroxyl radical and the contribution amount of sulfate radical in the UV/potassium monopersulfate composite powder are calculated. The UV/potassium monopersulfate composite powder is used for degrading sulfadiazine and has hydroxyl free radical, sulfate free radical and other free Radicals (RCS). Therefore, the contribution amount of other free radicals is calculated by subtracting the contribution amount of hydroxyl free radicals and the contribution amount of sulfate free radicals from the degradation amount of sulfadiazine in n continuous time intervals, and the obtained result is the contribution amount of other free radicals in n continuous time intervals:
wherein, k' RCS/SDZ Is the second order reaction rate constant of other free radicals with sulfadiazine.
S5, calculating the contribution rate R of the active substances according to the contribution amount of the hydroxyl radicals, the contribution amount of the sulfate radicals and the contribution amount of the carbonyl radicals as follows:
wherein,
for the contributions of said other radicals in n consecutive said time intervals,
for n consecutive said time intervals the contribution of said hydroxyl radical,
for a contributing amount of said sulfate radicals in n consecutive said time intervals,
for said sulfadiazine at an initial time t 0 The concentration of (c).
In step S5, in an embodiment of the present invention, a specific operation process is as follows:
in one embodiment of the invention, by combining process characterization and reaction kinetics information and building a Python model frame, a calculation method model of the contribution rate of the active substance is loaded into the model frame, and a corresponding result can be obtained more quickly. Calculating the contribution rate R of each active substance in the process of degrading sulfadiazine by using the UV activated potassium monopersulfate composite powder according to the following formula (10):
wherein R is HO· In the process of degrading sulfadiazine by activating the potassium monopersulfate composite powder by UV, the contribution rate of hydroxyl radicals in the UV/potassium monopersulfate composite powder,
in the process of degrading sulfadiazine by activating the potassium monopersulfate composite powder by UV, the contribution rate of sulfate radical in the UV/potassium monopersulfate composite powder, R RCS In the process of degrading sulfadiazine by activating the potassium monopersulfate composite powder by UV, the contribution rate of other free radicals in the UV/potassium monopersulfate composite powder is increased.
The steps of the above method are divided for clarity of description, and may be combined into one step or split into some steps, and the steps are decomposed into multiple steps, so long as the steps contain the same logical relationship, which is within the protection scope of the present invention; it is within the scope of the present invention to add insignificant modifications to the algorithms or processes or to introduce insignificant design changes to the core design without changing the algorithms or processes.
As shown in fig. 5, which illustrates a schematic structural diagram of a computing system 1 for active material contribution rate, the computing system includes:
the degradation amount calculation unit 11 is used for degrading sulfadiazine by using UV/potassium monopersulfate composite powder, and the residual concentration of the sulfadiazine is collected according to a preset time interval in the degradation process; calculating the degradation amount of the sulfadiazine in n continuous time intervals and the average degradation amount of each time interval according to the collected residual concentration of the sulfadiazine;
a hydroxyl radical contribution amount calculation unit 12 for adding a first reference compound in the same degradation process as the sulfadiazine degradation amount calculation unit 11, and collecting the residual concentration of the first reference compound according to the time interval in the degradation process; calculating the contribution amount of hydroxyl radicals in the UV/potassium monopersulfate composite powder in n continuous time intervals according to the collected residual concentration of the first reference compound;
a sulfate radical contribution amount calculation unit 13 for adding a second reference compound in the same degradation process as the sulfadiazine degradation amount calculation unit 11, and collecting the residual concentration of the second reference compound according to the time interval in the degradation process; calculating the contribution amount of sulfate radicals in the UV/potassium monopersulfate composite powder in n continuous time intervals according to the collected residual concentration of the second reference compound;
a contribution amount calculating unit 14 of other radicals, configured to subtract the contribution amount of the hydroxyl radical and the contribution amount of the sulfate radical from the degradation amount of the sulfadiazine, respectively, to obtain the contribution amounts of other radicals in the UV/potassium monopersulfate composite powder in n consecutive time intervals;
and an active material contribution ratio calculation unit 15 configured to calculate the contribution ratios of the three active materials, that is, the hydroxyl radical, the sulfate radical, and the other radicals in n consecutive time intervals, based on the contribution amounts of the hydroxyl radical, the sulfate radical, and the other radicals in n consecutive time intervals.
As shown in fig. 6, a block diagram of the hydroxyl radical contribution amount calculation unit 12 is described. It still includes:
a nitrobenzene residual concentration acquisition module 121, configured to add nitrobenzene to perform light radiation oxidation reaction in the same degradation process as the sulfadiazine degradation amount calculation unit 11, and continuously acquire the residual concentration of nitrobenzene according to a preset time interval;
a hydroxyl radical generation amount calculation module 122, configured to calculate a generation amount of hydroxyl radicals in the UV/oxone composite powder in each time interval:
wherein,
represents the amount of hydroxyl radicals formed, k, in the ith time interval HO·/NB Is a pseudo first-order reaction rate constant of hydroxyl free radical and nitrobenzene,
is nitrobenzene at t i The remaining concentration at that time.
A hydroxyl radical contribution amount calculation module 123 for calculating the hydroxyl radical contribution amount in each time interval according to the hydroxyl radical generation amount;
and the hydroxyl radical contribution amount calculation module 124 is used for accumulating the hydroxyl radical contribution amount in each time interval to obtain the hydroxyl radical contribution amount in the continuous n time intervals.
As shown in fig. 7, a block diagram of the sulfate radical contribution amount calculation unit 13 is described. It still includes:
a benzoic acid residual concentration acquisition module 131, configured to add benzoic acid to perform a light radiation oxidation reaction in the same degradation process as the sulfadiazine degradation amount calculation unit 11, and continuously acquire the residual concentration of benzoic acid at preset time intervals;
a sulfate radical generation amount calculation module 132, configured to calculate a generation amount of sulfate radicals in the oxone composite powder at each time interval:
wherein,
the amount of sulfate radicals generated in the ith time interval,
is benzoic acid at t i Residual concentration at time, k HO·/BA Is a pseudo first-order reaction rate constant of hydroxyl free radical and benzoic acid,
is a pseudo first order reaction rate constant of the sulfate radical with the benzoic acid,
represents the amount of the hydroxyl radical generated in the ith time interval.
A module 133 for calculating contribution amount of sulfate radical per unit time, configured to calculate contribution amount of sulfate radical in each time interval according to generation amount of sulfate radical:
wherein,
is a pseudo-first order reaction rate constant of sulfate radical and sulfadiazine;
and a module 134 for calculating contribution amounts of sulfate radicals in n consecutive time intervals, configured to accumulate the contribution amounts of sulfate radicals in each time interval to obtain the contribution amounts of sulfate radicals in n consecutive time intervals.
It should be noted that, in order to highlight the innovative part of the present invention, a module which is not so closely related to solve the technical problem proposed by the present invention is not introduced in the present embodiment, but this does not indicate that no other module exists in the present embodiment.
In addition, it is clear to those skilled in the art that, for convenience and brevity of description, the specific working process of the system described above may refer to the corresponding process in the foregoing method embodiment, and is not described herein again. In the embodiments provided in the present invention, it should be understood that the disclosed system, apparatus and method may be implemented in other ways. For example, the above-described apparatus embodiments are merely illustrative, and for example, the division of the modules is only one logical functional division, and other divisions may be realized in practice, for example, a plurality of modules or components may be combined or integrated into another system, or some features may be omitted, or not executed. In addition, the shown or discussed mutual coupling or direct coupling or communication connection may be an indirect coupling or communication connection through some interfaces, devices or units, and may be in an electrical, mechanical or other form.
Modules described as separate parts may or may not be physically separate, and parts displayed as modules may or may not be physical modules, may be located in one place, or may be distributed on a plurality of network modules. Some or all of the units can be selected according to actual needs to achieve the purpose of the solution of the embodiment.
In addition, functional modules in the embodiments of the present invention may be integrated into one processing module, or each module may exist alone physically, or two or more modules are integrated into one module. The integrated module can be realized in a form of hardware or a form of a software functional unit.
The integrated module, if implemented in the form of a software functional module and sold or used as a stand-alone product, may be stored in a computer readable storage medium. Based on such understanding, the technical solution of the present invention may be embodied in the form of a software product, which is stored in a storage medium and includes instructions for causing a computer device (which may be a personal computer, a server, or a network device) to execute all or part of the steps of the method according to the embodiments of the present invention. And the aforementioned storage medium includes: a variety of media that can store program codes, such as a usb disk, a removable hard disk, a read-only memory (ROM), a Random Access Memory (RAM), a magnetic disk, or an optical disk.
The present embodiment also proposes an active substance contribution rate calculating device comprising a processor and a memory, the processor and the memory being coupled, the memory storing program instructions, which when executed by the processor implement the above task management method. The Processor may be a general-purpose Processor, and includes a Central Processing Unit (CPU), a Network Processor (NP), and the like; or a Digital Signal Processor (DSP), an Application Specific Integrated Circuit (ASIC), a Field Programmable Gate Array (FPGA) or other Programmable logic device, a discrete Gate or transistor logic device, or a discrete hardware component; the Memory may include a Random Access Memory (RAM), and may also include a Non-Volatile Memory (Non-Volatile Memory), such as at least one disk Memory. The Memory may be an internal Memory of Random Access Memory (RAM) type, and the processor and the Memory may be integrated into one or more independent circuits or hardware, such as: application Specific Integrated Circuits (ASICs). It should be noted that the computer program in the memory 302 can be implemented in the form of software functional units and stored in a computer readable storage medium when the computer program is sold or used as a stand-alone product. Based on such understanding, the technical solution of the present invention may be embodied in the form of a software product, which is stored in a storage medium and includes instructions for causing a computer device (which may be a personal computer, an electronic device, or a network device) to perform all or part of the steps of the method according to the embodiments of the present invention.
The present embodiment also provides a computer-readable storage medium, which stores computer instructions for causing a computer to execute the above task management method. The storage medium may be an electronic, magnetic, optical, electromagnetic, infrared, or semiconductor system or a propagation medium. The storage medium may also include a semiconductor or solid state memory, magnetic tape, a removable computer diskette, a Random Access Memory (RAM), a read-only memory (ROM), a rigid magnetic disk and an optical disk. Optical disks may include compact disk-read only memory (CD-ROM), compact disk-read/write (CD-RW), and DVD.
In summary, the method, system, device and storage medium for calculating the contribution rate of the active substance provided by the present invention can accurately and rapidly combine the mathematical integral kinetic model to obtain the contribution rate of each active substance. The method has the advantages of high operation speed and accurate result, and has important value for calculating the contribution rate of the active substances to degrade the organic pollutants in an advanced oxidation system. Therefore, the invention effectively overcomes various defects in the prior art and has high industrial utilization value.
The foregoing embodiments are merely illustrative of the principles and utilities of the present invention and are not intended to limit the invention. Those skilled in the art can modify or change the above-described embodiments without departing from the spirit and scope of the present invention. Accordingly, it is intended that all equivalent modifications or changes which may be made by those skilled in the art without departing from the spirit and scope of the present invention as defined in the appended claims.
Claims (9)
1. A method for calculating a contribution rate of an active substance, comprising at least:
s1, degrading sulfadiazine by using UV/potassium monopersulfate composite powder, and collecting the residual concentration of the sulfadiazine according to a preset time interval in the degradation process; calculating the degradation amount of the sulfadiazine in n continuous time intervals and the average degradation amount of each time interval according to the collected residual concentration of the sulfadiazine;
s2, adding a first reference compound in the same degradation process as the S1, and collecting the residual concentration of the first reference compound according to the time interval in the degradation process; calculating the contribution amount of hydroxyl radicals in the UV/potassium monopersulfate composite powder in n continuous time intervals according to the collected concentration of the first reference compound;
s3, adding a second reference compound in the same degradation process as the S1, and collecting the residual concentration of the second reference compound according to the time interval in the degradation process; calculating the contribution amount of sulfate radicals in the UV/potassium monopersulfate composite powder in n continuous time intervals according to the collected concentration of the second reference compound;
s4, deducting the contribution amount of the hydroxyl free radicals and the contribution amount of the sulfate free radicals from the degradation amount of the sulfadiazine in the continuous n time intervals respectively to obtain the contribution amounts of other free radicals in the UV/potassium monopersulfate composite powder in the continuous n time intervals;
s5, building a Python algorithm framework, and calculating the contribution rates of three active substances, namely the hydroxyl free radicals, the sulfate free radicals and the other free radicals in the continuous n time intervals according to the contribution amount of the hydroxyl free radicals, the contribution amount of the sulfate free radicals and the contribution amounts of the other free radicals in the continuous n time intervals;
wherein the first reference compound is nitrobenzene and the second reference compound is benzoic acid.
2. The method according to claim 1, wherein the S1 includes:
s11, carrying out a degradation experiment on the sulfadiazine by using the UV/potassium monopersulfate composite powder: in the experimental process, continuously collecting the residual concentration of sulfadiazine in the solution according to the preset time interval;
s12, calculating the degradation amount of the sulfadiazine in n continuous time intervals according to the collected residual concentration of the sulfadiazine:
wherein,
for said sulfadiazine at t n Residual concentration at time t 0, t 1 ,t 2 ,...,t n Is the sampling instant of the remaining concentration of sulfadiazine;
s13, calculating the average degradation amount of the sulfadiazine in each time interval:
3. The method for calculating an active material contribution rate according to claim 1, wherein the S2 includes at least:
s21, in the same degradation process as the S1, adding nitrobenzene to perform light radiation oxidation reaction, and continuously collecting the residual concentration of the nitrobenzene according to the preset time interval;
s22, calculating the generation amount of the hydroxyl radicals in the UV/potassium monopersulfate composite powder in each time interval:
wherein,
represents the amount of the hydroxyl radical generated, k, in the ith time interval HO·/NB Is a pseudo first order reaction rate constant of the hydroxyl radical and the nitrobenzene,
is said nitrobenzene in t i The remaining concentration at that moment;
s23, calculating the contribution amount of the hydroxyl free radicals in each time interval according to the generation amount of the hydroxyl free radicals in each time interval and the residual concentration of sulfadiazine:
wherein k is HO·/SDZ Is the pseudo-first order reaction rate constant of the hydroxyl radical and the sulfadiazine;
representing the average amount of degradation of said sulfadiazine in the ith said time interval;
and S24, accumulating the contribution amount of the hydroxyl free radicals in each time interval to obtain the contribution amount of the hydroxyl free radicals in the continuous n time intervals.
4. The method for calculating an active material contribution rate according to claim 1, wherein the S3 includes at least:
s31, in the same degradation process as the S1, adding the benzoic acid to perform light radiation oxidation reaction, and continuously collecting the residual concentration of the benzoic acid according to the preset time interval;
s32, calculating the generation amount of the sulfate radicals in the UV/potassium monopersulfate composite powder in each time interval:
wherein,
the amount of the sulfate radical generated in the ith time interval,
for said benzoic acid at t i Residual concentration at time, k HO·/BA Is a pseudo first order reaction rate constant of the hydroxyl radical and the benzoic acid
Is a pseudo first order reaction rate constant of the sulfate radical with the benzoic acid,
represents the amount of the hydroxyl radical generated in the ith time interval;
s33, calculating the contribution amount of the sulfate radicals in each time interval according to the generation amount of the sulfate radicals:
wherein,
is a pseudo-first order reaction rate constant of the sulfate radical and the sulfadiazine,
representing the average amount of degradation of said sulfadiazine in the ith said time interval;
and S34, accumulating the contribution amount of the sulfate radicals in each time interval to obtain the contribution amount of the sulfate radicals in the continuous n time intervals.
5. The method of calculating an active material contribution rate according to claim 1, wherein the contribution rate R of the active material in S5 is:
wherein,
for the contribution of said other radicals in n consecutive said time intervals,
the contribution of the hydroxyl radical in n consecutive time intervals,
for a contributing amount of said sulfate radicals in n consecutive said time intervals,
for said sulfadiazine at an initial time t 0 The concentration of (c).
6. A system for calculating the rate of contribution of an active substance, the system comprising at least:
the degradation amount calculation unit is used for degrading sulfadiazine by using UV/potassium monopersulfate composite powder, and the residual concentration of the sulfadiazine is collected according to a preset time interval in the degradation process; calculating the degradation amount of the sulfadiazine in n continuous time intervals and the average degradation amount of each time interval according to the collected residual concentration of the sulfadiazine;
a hydroxyl radical contribution amount calculation unit, which is used for adding a first reference compound in the same degradation process as the sulfadiazine degradation amount calculation unit, and collecting the residual concentration of the first reference compound according to the time interval in the degradation process; calculating the contribution amount of hydroxyl radicals in the UV/potassium monopersulfate composite powder in n continuous time intervals according to the collected residual concentration of the first reference compound;
a sulfate radical contribution amount calculation unit, which is used for adding a second reference compound in the same degradation process as the sulfadiazine degradation amount calculation unit, and collecting the residual concentration of the second reference compound according to the time interval in the degradation process; calculating the contribution amount of sulfate radicals in the UV/potassium monopersulfate composite powder in n continuous time intervals according to the collected residual concentration of the second reference compound;
the other free radical contribution calculating unit is used for deducting the contribution of the hydroxyl free radical and the contribution of the sulfate free radical from the degradation amount of the sulfadiazine respectively to obtain the contribution of other free radicals in the UV/potassium monopersulfate composite powder in n continuous time intervals;
an active material contribution rate calculating unit configured to calculate, based on the contribution amounts of the hydroxyl radicals, the sulfate radicals, and the other radicals in n consecutive time intervals, contribution rates of three active materials, that is, the hydroxyl radicals, the sulfate radicals, and the other radicals in n consecutive time intervals;
wherein the first reference compound is nitrobenzene and the second reference compound is benzoic acid.
7. The active material contribution rate calculation system according to claim 6, wherein the active material contribution rate calculation unit is configured to calculate the active material contribution rate R according to the following formula:
wherein,
for the contributions of said other radicals in n consecutive said time intervals,
for n consecutive contributions of said hydroxyl radicals in said time interval,
for a contributing amount of said sulfate radicals in n consecutive said time intervals,
for said sulfadiazine at an initial time t 0 The concentration of (c).
8. An active agent contribution rate calculation device, characterized by: comprising a processor coupled to a memory, the memory storing program instructions that, when executed by the processor, implement the method of any of claims 1 to 5.
9. A computer-readable storage medium, characterized in that: comprising a program which, when run on a computer, causes the computer to perform the method of any one of claims 1 to 5.
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