Method and device for determining targeted medicament during pollution source remediation and computer equipment

Abstract

The invention relates to the technical field of soil and groundwater remediation and treatment, in particular to a method and device for determining a targeted agent during pollution source remediation and computer equipment, and the method for determining the targeted agent during pollution source remediation comprises the following steps: obtaining an analysis result obtained by analyzing a target pollutant in a pollution source; determining an active oxygen species type corresponding to the target pollutant according to an analysis result; and determining the type of a targeted medicament for repairing the pollution source according to the type of the active oxygen species. According to the method, target pollutants are analyzed, the types of active oxygen species which are mainly responded are used as guidance, and targeted agents are screened in a targeted mode, so that when a pollution source is repaired, the targeted agents can generate needed dominant active oxygen species to efficiently react with the target pollutants and accurately oxidize the target pollutants, and repairing treatment of soil and underground water is achieved.

Description

Technical Field

[0001] The present invention relates to the technical field of soil and groundwater remediation and management, and in particular to a method, device and computer equipment for determining a targeted agent during pollution source remediation. Background Art

[0002] Faced with the severe soil and groundwater pollution situation and the urgent need for remediation and management, the "Soil Pollution Prevention and Control Law", "Groundwater Management Regulations" and "Guiding Opinions on Promoting Soil Pollution Risk Control and Green and Low-Carbon Remediation" have been issued successively, all of which emphasize the importance of soil and groundwater pollution prevention and control. However, due to the wide range of sources of soil pollution and the wide variety of pollutants, especially organic pollutants, which have become the focus of attention in the soil and groundwater remediation and management industry due to their universality, complexity and great harm. And with the emergence of new pollutants such as antibiotics and organic pollutants such as perfluorinated compounds, the severe situation of remediation and management has been further aggravated.

[0003] Traditional contaminated soil and groundwater remediation processes, especially those based on redox methods, are often affected by factors such as engineering time and cost. In order to quickly reduce the total amount and concentration of pollution, high-intensity measures such as random selection of catalysts or large-scale addition of oxidants are often used. This not only generates high trial and error and remediation costs, but also leads to a large amount of oxidant waste or over-remediation and secondary pollution. The entire governance and remediation process lacks global, scientific and systematic analysis, and cannot achieve maximum utilization of oxidants and precise oxidation. Summary of the invention

[0004] In view of this, the present invention provides a method, device and computer equipment for determining targeted agents during pollution source remediation to solve the problem that precise oxidation cannot be achieved during the remediation of contaminated soil and groundwater.

[0005] In a first aspect, the present invention provides a method for determining a targeted agent for remediating a pollution source, comprising the following steps: obtaining analysis results of a target pollutant in the pollution source; determining the type of reactive oxygen species corresponding to the target pollutant based on the analysis results; and determining the type of targeted agent for remediating the pollution source based on the type of reactive oxygen species.

[0006] The present invention obtains the analysis results of the target pollutants in the pollution source, and can determine the type of reactive oxygen species corresponding to the target pollutants according to the analysis results, and further determine the type of targeted agent for repairing the pollution source according to the type of reactive oxygen species. In other words, by analyzing the target pollutants, using the main responsive reactive oxygen species type (i.e., the reactive oxygen species type corresponding to the target pollutant) as a guide, targeted agents are screened in a targeted manner, so that when repairing the pollution source, the targeted agent can produce the required dominant reactive oxygen species to efficiently react and accurately oxidize the target pollutants, thereby achieving the repair and management of soil and groundwater and maximizing the utilization of oxidants.

[0007] In an optional embodiment, the analysis results include at least one of the following: highest occupied orbital energy, lowest occupied orbital energy, energy gap, vertical ionization energy, Fukui function value, and charge distribution of elements; determining the type of reactive oxygen species based on the analysis results includes: determining the actual structure of the target pollutant based on the analysis results, wherein the actual structure includes molecular structure information and / or basic parent structure information; determining the type of reactive oxygen species corresponding to the target pollutant based on the actual structure of the target pollutant, or obtaining a correspondence between a preset pollutant and the reactive oxygen species; and using the target pollutant to search in the correspondence between the pollutant and the reactive oxygen species to obtain the type of reactive oxygen species corresponding to the target pollutant.

[0008] Thus, the type of reactive oxygen species that can react efficiently with the target pollutant can be determined quickly and accurately. In an optional embodiment, determining the type of reactive oxygen species corresponding to the target pollutant based on the actual structure of the target pollutant includes: obtaining the correspondence between preset structural information and reactive oxygen species; using the actual structure to search the correspondence between structural information and reactive oxygen species to obtain the type of reactive oxygen species corresponding to the target pollutant; and / or; calculating the reaction rate and reaction time of the target pollutant and each reactive oxygen species according to the actual structure of the target pollutant; determining the type of reactive oxygen species corresponding to the target pollutant according to the reaction rate of the target pollutant and each reactive oxygen species.

[0009] This allows for rapid and accurate determination of the types of reactive oxygen species that can efficiently react with the target pollutant.

[0010] In an optional embodiment, after determining the type of targeted agent for remediating the pollution source according to the type of reactive oxygen species, the following steps are also included: obtaining remediation requirements, wherein the remediation requirements include at least one of the following: cost requirements, removal efficiency requirements, removal safety requirements, and environmental protection requirements; and revising the determined type of targeted agent according to the remediation requirements.

[0011] This allows the selected targeted agent types to meet modification requirements during soil and groundwater remediation.

[0012] In an optional embodiment, after determining the type of targeted agent for repairing the pollution source based on the type of reactive oxygen species, the following steps are also included: obtaining the actual reactive oxygen species generated by the targeted agent type when repairing the target pollutant; when the actual reactive oxygen species does not belong to the type of reactive oxygen species corresponding to the target pollutant, issuing a prompt message to adjust the preparation strategy of the targeted agent type.

[0013] Therefore, the preparation strategy of targeted agent types can be regulated to ensure that the selected targeted agent types can produce active oxygen species that react efficiently to target pollutants during soil and groundwater remediation.

[0014] In an optional embodiment, after issuing a prompt message for regulating the preparation strategy of the targeted agent type, the following steps are also included: again obtaining the actual reactive oxygen species generated by the targeted agent type when repairing the pollution source; when the actual reactive oxygen species belongs to the type of reactive oxygen species corresponding to the target pollutant, saving the preparation strategy of the targeted agent type, and generating a corresponding relationship between the targeted agent type and the preparation strategy.

[0015] Therefore, the preparation strategy of the next targeted drug type can be quickly determined through the correspondence between the targeted drug type and the preparation strategy.

[0016] In a second aspect, the present invention also provides a device for determining a targeted agent for repairing a pollution source, comprising an acquisition module, an active oxygen species type determination module and a targeted agent type determination module: the acquisition module is used to obtain analysis results of target pollutants in the pollution source; the active oxygen species type determination module is used to determine the active oxygen species type according to the analysis results; the targeted agent type determination module is used to determine the type of targeted agent for repairing the pollution source according to the active oxygen species type.

[0017] In a third aspect, the present invention further provides a computer device, comprising a memory and a processor, the memory and the processor being communicatively connected to each other, the memory storing computer instructions, and the processor executing the computer instructions to execute the method for determining targeted agents during pollution source remediation of the above-mentioned first aspect or any corresponding embodiment thereof.

[0018] In a fourth aspect, the present invention further provides a computer-readable storage medium having computer instructions stored thereon, the computer instructions being used to enable a computer to execute the method for determining a targeted agent during pollution source remediation according to the first aspect or any corresponding embodiment thereof.

[0019] In a fifth aspect, the present invention further provides a computer program product, comprising computer instructions for causing a computer to execute the method for determining a targeted agent during pollution source remediation according to the first aspect or any corresponding embodiment thereof.

[0020] The method, device and computer equipment for determining targeted agents during pollution source remediation provided by the present invention have the following beneficial effects: by analyzing the target pollutants and using the main responsive reactive oxygen species type (i.e., the reactive oxygen species type corresponding to the target pollutant) as a guide, targeted agents are screened in a targeted manner, so that when the pollution source is repaired, the targeted agents can produce the required dominant reactive oxygen species to react efficiently with the target pollutants, accurately realize the remediation and management of soil and groundwater, and maximize the utilization of oxidants. BRIEF DESCRIPTION OF THE DRAWINGS

[0021] In order to more clearly illustrate the specific implementation methods of the present invention or the technical solutions in the prior art, the drawings required for use in the specific implementation methods or the description of the prior art will be briefly introduced below. Obviously, the drawings described below are some implementation methods of the present invention. For ordinary technicians in this field, other drawings can be obtained based on these drawings without paying creative work.

[0022] Figure 1 is a flow chart of a method for determining a targeted agent during pollution source remediation according to an embodiment of the present invention;

[0023] Figure 2 is a flow chart of a method for determining a targeted agent during remediation of another pollution source according to an embodiment of the present invention;

[0024] Figure 3 is a flow chart of a method for determining a targeted agent during pollution source repair according to another embodiment of the present invention;

[0025] Figure 4 This is a flowchart of an example of a targeted soil and groundwater remediation method according to an embodiment of the present invention;

[0026] Figure 5 is a structural block diagram of a method and device for determining a targeted agent during pollution source remediation according to an embodiment of the present invention;

[0027] Figure 6 It is a schematic diagram of the hardware structure of a computer device according to an embodiment of the present invention. DETAILED DESCRIPTION

[0028] In order to make the purpose, technical solution and advantages of the embodiments of the present invention clearer, the technical solution in the embodiments of the present invention will be clearly and completely described below in conjunction with the drawings in the embodiments of the present invention. Obviously, the described embodiments are part of the embodiments of the present invention, not all of the embodiments. Based on the embodiments of the present invention, all other embodiments obtained by those skilled in the art without creative work are within the scope of protection of the present invention.

[0029] According to an embodiment of the present invention, an embodiment of a method for determining a targeted agent during pollution source remediation is provided. It should be noted that the steps shown in the flowchart of the accompanying drawings can be executed in a computer system such as a set of computer executable instructions, and although a logical order is shown in the flowchart, in some cases, the steps shown or described may be executed in an order different from that shown here.

[0030] In this embodiment, a method for determining a targeted agent during pollution source remediation is provided, which can be used in computer equipment. Figure 1 FIG. 4 is a flow chart of a method for determining a targeted agent when remediating a pollution source according to an embodiment of the present invention. Figure 1 As shown, the process includes the following steps:

[0031] Step S101: obtaining analysis results of target pollutants in a pollution source.

[0032] Specifically, target pollutants include but are not limited to organic pollutants such as antibiotics, endocrine disruptors, phenols, perfluorinated compounds and polycyclic aromatic hydrocarbons.

[0033] Step S102: Determine the type of active oxygen species corresponding to the target pollutant according to the analysis result.

[0034] Specifically, the type of reactive oxygen species corresponding to the target pollutant can be understood as the type of reactive oxygen species that mainly responds during the remediation of the pollution source. The reactive oxygen species types include but are not limited to superoxide radicals, singlet oxygen, sulfate radicals, and hydroxyl radicals.

[0035] Step S103: Determine the type of targeted agent for repairing the pollution source according to the type of active oxygen species.

[0036] Specifically, types of targeted agents include but are not limited to metal oxides / sulfides, carbon materials, single-atom materials, MOFs-based derivative materials, zero-valent iron, etc.

[0037] This embodiment can determine the type of reactive oxygen species corresponding to the target pollutant according to the analysis results by obtaining the analysis results of the target pollutant in the pollution source, and further determine the type of targeted agent for repairing the pollution source according to the type of reactive oxygen species. In other words, by analyzing the target pollutant, using the type of reactive oxygen species that mainly responds (i.e., the type of reactive oxygen species corresponding to the target pollutant) as a guide, targeted agents are screened in a targeted manner, so that when repairing the pollution source, the targeted agent can produce the required dominant reactive oxygen species to react efficiently and accurately oxidize the target pollutant, thereby achieving the repair and management of soil and groundwater and maximizing the utilization of oxidants.

[0038] In this embodiment, a method for determining a targeted agent during pollution source remediation is provided, which can be used in computer equipment. Figure 2 FIG. 4 is a flow chart of a method for determining a targeted agent during remediation of another pollution source according to an embodiment of the present invention. Figure 2 As shown, the process includes the following steps:

[0039] Step S201: Obtain analysis results of target pollutants in a pollution source.

[0040] The analysis results include at least one of the following: highest occupied orbital energy, lowest occupied orbital energy, energy gap, vertical ionization energy, Fukui function value, and charge distribution of elements.

[0041] Step S202: Determine the type of active oxygen species corresponding to the target pollutant according to the analysis result.

[0042] In an optional implementation, determining the type of active oxygen species according to the analysis result includes the following steps S2021 to S2022.

[0043] Step S2021: Determine the actual structure of the target pollutant based on the analysis results, where the actual structure includes molecular structure information and / or basic parent structure information.

[0044] Step S2022: Determine the type of active oxygen species corresponding to the target pollutant according to the actual structure of the target pollutant.

[0045] In an optional embodiment, the following method can be used to determine the type of reactive oxygen species corresponding to the target pollutant based on the actual structure of the target pollutant: calculate the reaction rate and reaction time of the target pollutant with each reactive oxygen species according to the actual structure of the target pollutant; determine the type of reactive oxygen species corresponding to the target pollutant based on the reaction rate and reaction time of the target pollutant with each reactive oxygen species.

[0046] This is because, by analyzing the parameters of the highest occupied orbital energy (EHOMO), the lowest occupied orbital energy (ELUMO), the energy gap (ΔE) and the vertical ionization energy (VIP) of different target pollutants, as well as the charge distribution and Fukui function value of each element, the molecular structure and basic parent structure of the target pollutant can be clarified. Studies have shown that those with higher EHOMO, lower ΔE and lower VIP are more likely to react with reactive oxygen species. At the same time, the reaction time and reaction rate of target pollutants with different structures and different reactive oxygen species are different, which then determines the type of reactive oxygen species that mainly responds in the system.

[0047] In another optional embodiment, the following method can be used to determine the type of reactive oxygen species corresponding to the target pollutant based on the actual structure of the target pollutant: obtain the correspondence between preset structural information and reactive oxygen species; and use the actual structure to search in the correspondence between structural information and reactive oxygen species to obtain the type of reactive oxygen species corresponding to the target pollutant.

[0048] Among them, the correspondence between structural information and reactive oxygen species can be obtained based on experience or through big data analysis.

[0049] In another optional embodiment, the following method can be used to determine the type of reactive oxygen species corresponding to the target pollutant based on the actual structure of the target pollutant: obtain the correspondence between the preset pollutant and the reactive oxygen species; and use the target pollutant to search the correspondence between the pollutant and the reactive oxygen species to obtain the type of reactive oxygen species corresponding to the target pollutant.

[0050] Among them, the correspondence between pollutants and reactive oxygen species can be obtained based on experience or through big data analysis. For example, in the correspondence between pollutants and reactive oxygen species, sulfonamide, sulfamethoxazole, and sulfamethoxazole correspond to singlet oxygen, phenol, bisphenol A, and bisphenol B correspond to singlet oxygen, iminostilbene and carbamazepine correspond to sulfate radicals, and atrazine and simazine correspond to hydroxyl radicals.

[0051] Step S203: Determine the type of targeted agent for repairing the pollution source according to the type of active oxygen species.

[0052] This embodiment can obtain the analysis results of the target pollutants in the pollution source, and can determine the type of reactive oxygen species corresponding to the target pollutants according to the analysis results, and further determine the type of targeted agent for repairing the pollution source according to the type of reactive oxygen species. That is to say, by analyzing the target pollutants, using the main responsive reactive oxygen species type (i.e., the reactive oxygen species type corresponding to the target pollutant) as a guide, targeted agents are screened in a targeted manner, so that when repairing the pollution source, the targeted agent can produce the required dominant reactive oxygen species to efficiently react and accurately oxidize the target pollutants, thereby achieving soil and groundwater repair and management; and can quickly and accurately determine the type of reactive oxygen species that can efficiently react with the target pollutants.

[0053] In this embodiment, a method for determining a targeted agent during pollution source remediation is provided, which can be used in computer equipment. Figure 3 FIG. 1 is a flow chart of a method for determining a targeted agent during pollution source remediation according to another embodiment of the present invention. Figure 3 As shown, the process includes the following steps:

[0054] Step S301: Obtain analysis results of target pollutants in a pollution source.

[0055] Step S302: Determine the type of active oxygen species corresponding to the target pollutant according to the analysis result.

[0056] Step S303: Determine the type of targeted agent for repairing the pollution source according to the type of active oxygen species.

[0057] Step S304: Obtaining restoration requirements, where the restoration requirements include at least one of the following: cost requirements, removal efficiency requirements, removal safety requirements, and environmental protection requirements.

[0058] Step S305: modify the determined targeted drug type according to the repair requirement.

[0059] Step S306: obtaining actual reactive oxygen species generated by the targeted agent type when repairing the pollution source.

[0060] Step S307: Determine whether the actual reactive oxygen species belongs to the type of reactive oxygen species corresponding to the target pollutant. If not, proceed to step S308; if yes, proceed to step S309.

[0061] Step S308: issuing a prompt message for regulating the preparation strategy of the targeted drug type.

[0062] Among them, the preparation strategies for targeted drug types include but are not limited to the morphology, size, functional groups, exposed crystal surfaces, defects, single atom anchoring and coordination of the drug.

[0063] Step S309: Generate a correspondence between the types of targeted drugs and the preparation strategies.

[0064] The method for determining targeted agents for pollution source remediation provided in this embodiment can not only screen targeted agents by analyzing target pollutants and using the types of active oxygen species that mainly respond as a guide, but also regulate the preparation strategy of the types of targeted agents to ensure that the selected types of targeted agents can produce active oxygen species types that efficiently respond to target pollutants during the remediation of soil and groundwater, thereby achieving efficient, safe and reliable remediation technology.

[0065] Figure 4 FIG. 1 is a flowchart of an example of a targeted soil and groundwater remediation method according to an embodiment of the present invention. Figure 4 As shown, the targeted remediation method for soil and groundwater includes the following steps:

[0066] (1) Target pollutant analysis: Analyze the types and physical and chemical properties of pollutants in soil and groundwater as well as the molecular structure characteristics of pollutant precursors based on the test results.

[0067] (2) The type of reactive oxygen species that mainly responds to the target pollutants is determined based on the analysis results of the target pollutants and the existing research basis.

[0068] (3) Screening and regulation of targeted drugs. The screening of targeted drugs is guided by the type of reactive oxygen species that mainly responds. Then, the type of targeted drugs is determined by using key factors. The physical and chemical properties and catalytic activity of targeted drugs are regulated through preparation or synthesis strategies.

[0069] (4) Generate the main responsive reactive oxygen species types required, add the screened and regulated targeted agents to the soil and groundwater treatment system, the agent catalyzes the oxidant to generate the required responsive reactive oxygen species types of the target pollutants, and feedback and optimize the dynamic improvement of the preparation or synthesis strategy; among which, the treatment system includes but is not limited to photocatalytic systems, electrocatalytic systems, advanced oxidation systems, etc.

[0070] (5) The target pollutants interact with the agents and reactive oxygen species. The agents and the main reactive oxygen species generated react quickly with the target pollutants to achieve efficient removal of pollutants in soil and groundwater and complete soil and groundwater remediation. The oxidants include but are not limited to hydrogen peroxide, persulfate, peracetic acid, periodate, etc.; the agents and the main reactive oxygen species generated react with the target pollutants, including but not limited to the adsorption of pollutants by the agents, the adsorption of catalytic oxidants by the agents to generate reactive oxygen species, and the interaction of reactive oxygen species with pollutants.

[0071] For example, when the target pollutant is phenol, the main responding active oxygen species is singlet oxygen. The objects of screening and regulation of its targeted agents are carbon materials and single-atom materials. Based on the remediation requirements, carbon materials are screened and functional groups are regulated to generate singlet oxygen, the main responding active oxygen species. Then, the targeted agent generates singlet oxygen and efficiently reacts with the target pollutant phenol to achieve the control and remediation goals.

[0072] In summary, the present invention has the following beneficial effects:

[0073] 1. The method provided by the present invention is based on a targeted removal approach. First, target pollutant analysis is carried out, which helps to achieve precise oxidation, improve the utilization efficiency of oxidants and reactive oxygen species, and reduce trial and error and repair costs.

[0074] 2. The method provided by the present invention utilizes the active oxygen species in the reaction process as a guide to provide a target for the screening of targeted agents, thereby making the repair and treatment effect efficient, safe and reliable, while reducing the time cost of repair and treatment.

[0075] 3. The method provided by the present invention selects targeted agents that react preferentially with target pollutants, which can reduce environmental disturbances and secondary pollution. At the same time, the technical model provided by the method provides a new development direction for the development of remediation and treatment technology, helps to establish a "green, efficient and reliable" remediation technology system, and has broad application prospects.

[0076] In this embodiment, a device for determining a targeted agent during pollution source remediation is also provided, and the device is used to implement the above-mentioned embodiments and preferred embodiments, and the descriptions that have been made will not be repeated. As used below, the term "module" can implement a combination of software and / or hardware for a predetermined function. Although the device described in the following embodiments is preferably implemented in software, the implementation of hardware, or a combination of software and hardware, is also possible and conceivable.

[0077] This embodiment provides a device for determining a targeted agent when repairing a pollution source, such as Figure 5 Including:

[0078] The acquisition module 501 is used to acquire the analysis results of the target pollutants in the pollution source.

[0079] The reactive oxygen species type determination module 502 is used to determine the reactive oxygen species type according to the analysis result.

[0080] The targeted agent type determination module 503 is used to determine the targeted agent for repairing the pollution source according to the type of active oxygen species.

[0081] In an optional embodiment, the analysis result includes at least one of the following: highest occupied orbital energy, lowest occupied orbital energy, energy gap, vertical ionization energy, Fukui function value, and charge distribution of elements.

[0082] In an optional embodiment, the reactive oxygen species type determination module 502 includes a structure determination unit and a species type determination unit. The structure determination unit is used to determine the actual structure of the target pollutant according to the analysis result, wherein the actual structure includes molecular structure information and / or basic parent structure information; the species type determination unit is used to determine the reactive oxygen species type corresponding to the target pollutant according to the actual structure of the target pollutant.

[0083] In an optional embodiment, the reactive oxygen species type determination module 502 is specifically used to obtain the correspondence between preset pollutants and reactive oxygen species; and use the target pollutant to search in the correspondence between the pollutant and the reactive oxygen species to obtain the reactive oxygen species type corresponding to the target pollutant.

[0084] In an optional embodiment, the species type determination unit is specifically used to: obtain the correspondence between preset structural information and reactive oxygen species; and use the actual structure to search in the correspondence between structural information and reactive oxygen species to obtain the reactive oxygen species type corresponding to the target pollutant.

[0085] In an optional embodiment, the species type determination unit is specifically used to: calculate the reaction rate of the target pollutant with each reactive oxygen species according to the actual structure of the target pollutant; and determine the reactive oxygen species type corresponding to the target pollutant according to the reaction rate of the target pollutant with each reactive oxygen species.

[0086] In an optional embodiment, after determining the type of targeted agent for repairing the pollution source according to the type of reactive oxygen species, the targeted agent type determination module 503 is also used to: obtain the repair requirements, where the repair requirements include at least one of the following: cost requirements, removal efficiency requirements, removal safety requirements, and environmental protection requirements; and modify the determined targeted agent type according to the repair requirements.

[0087] In an optional embodiment, after determining the type of targeted agent for repairing the pollution source according to the type of reactive oxygen species, the targeted agent type determination module 503 is also used to: obtain the actual reactive oxygen species generated by the targeted agent type when repairing the target pollutant; determine whether the actual reactive oxygen species belongs to the type of reactive oxygen species corresponding to the target pollutant; when the actual reactive oxygen species does not belong to the type of reactive oxygen species corresponding to the target pollutant, issue a prompt message to adjust the preparation strategy of the targeted agent type.

[0088] In an optional implementation, the targeted agent type determination module 503 is further configured to generate a corresponding relationship between the targeted agent type and the preparation strategy when the actual reactive oxygen species belongs to the reactive oxygen species type corresponding to the target pollutant.

[0089] The further functional description of each of the above modules and units is the same as that of the above corresponding embodiments and will not be repeated here.

[0090] The device for determining the targeted agent during pollution source remediation in this embodiment is presented in the form of a functional unit, where the unit refers to an ASIC (Application Specific Integrated Circuit) circuit, a processor and memory that executes one or more software or fixed programs, and / or other devices that can provide the above functions.

[0091] The embodiment of the present invention also provides a computer device having the above Figure 5 The device shown is for determining the targeted agent during the remediation of the pollution source.

[0092] See also Figure 6 , Figure 6 is a schematic diagram of the structure of a computer device provided by an optional embodiment of the present invention, such as Figure 6 As shown, the computer device includes: one or more processors 10, a memory 20, and interfaces for connecting various components, including high-speed interfaces and low-speed interfaces. Various components are connected to each other using different buses for communication, and can be installed on a common mainboard or installed in other ways as needed. The processor can process the instructions executed in the computer device, including instructions stored in or on the memory to display the graphical information of the GUI on an external input / output device (such as, a display device coupled to the interface). In some optional embodiments, if necessary, multiple processors and / or multiple buses can be used together with multiple memories and multiple memories. Similarly, multiple computer devices can be connected, and each device provides some necessary operations (for example, as a server array, a group of blade servers, or a multi-processor system). Figure 6 A processor 10 is taken as an example.

[0093] The processor 10 may be a central processing unit, a network processor or a combination thereof. The processor 10 may further include a hardware chip. The hardware chip may be a dedicated integrated circuit, a programmable logic device or a combination thereof. The programmable logic device may be a complex programmable logic device, a field programmable gate array, a general purpose array logic or any combination thereof.

[0094] The memory 20 stores instructions executable by at least one processor 10, so that at least one processor 10 executes the method shown in the above embodiment.

[0095] The memory 20 may include a program storage area and a data storage area, wherein the program storage area may store an operating system, an application required for at least one function; the data storage area may store data created according to the use of the computer device, etc. In addition, the memory 20 may include a high-speed random access memory, and may also include a non-transient memory, such as at least one disk storage device, a flash memory device, or other non-transient solid-state storage device. In some optional embodiments, the memory 20 may optionally include a memory remotely arranged relative to the processor 10, and these remote memories may be connected to the computer device via a network. Examples of the above-mentioned network include, but are not limited to, the Internet, an intranet, a local area network, a mobile communication network, and combinations thereof.

[0096] The memory 20 may include a volatile memory, such as a random access memory; the memory may also include a non-volatile memory, such as a flash memory, a hard disk or a solid state drive; the memory 20 may also include a combination of the above types of memory.

[0097] The computer device also includes an input device 30 and an output device 40. The processor 10, the memory 20, the input device 30 and the output device 40 may be connected via a bus or other means. Figure 6 The example of connecting through bus is taken in the following.

[0098] The input device 30 can receive input digital or character information, and generate key signal input related to the user settings and function control of the computer device, such as a touch screen, a keypad, a mouse, a track pad, a touch pad, an indicator bar, one or more mouse buttons, a trackball, a joystick, etc. The output device 40 may include a display device, an auxiliary lighting device (e.g., an LED) and a tactile feedback device (e.g., a vibration motor), etc. The above-mentioned display device includes but is not limited to a liquid crystal display, a light emitting diode, a display and a plasma display. In some optional embodiments, the display device can be a touch screen.

[0099] The embodiment of the present invention also provides a computer-readable storage medium. The method according to the embodiment of the present invention can be implemented in hardware, firmware, or can be implemented as a computer code that can be recorded in a storage medium, or can be implemented as a computer code that is originally stored in a remote storage medium or a non-temporary machine-readable storage medium and will be stored in a local storage medium through a network download, so that the method described herein can be stored in such software processing on a storage medium using a general-purpose computer, a dedicated processor, or programmable or dedicated hardware. Among them, the storage medium can be a magnetic disk, an optical disk, a read-only storage memory, a random access memory, a flash memory, a hard disk or a solid-state hard disk, etc.; further, the storage medium can also include a combination of the above types of memories. It can be understood that a computer, a processor, a microprocessor controller, or programmable hardware includes a storage component that can store or receive software or computer code. When the software or computer code is accessed and executed by a computer, a processor, or hardware, the method shown in the above embodiment is implemented.

[0100] A part of the present invention may be applied as a computer program product, such as a computer program instruction, which, when executed by a computer, can call or provide the method and / or technical solution according to the present invention through the operation of the computer. Those skilled in the art should understand that the existence of the computer program instruction in a computer-readable medium includes, but is not limited to, a source file, an executable file, an installation package file, etc., and accordingly, the way in which the computer program instruction is executed by the computer includes, but is not limited to: the computer directly executes the instruction, or the computer compiles the instruction and then executes the corresponding compiled program, or the computer reads and executes the instruction, or the computer reads and installs the instruction and then executes the corresponding installed program. Here, the computer-readable medium may be any available computer-readable storage medium or communication medium accessible to the computer.

[0101] Although the embodiments of the present invention have been described in conjunction with the accompanying drawings, those skilled in the art may make various modifications and variations without departing from the spirit and scope of the present invention, and such modifications and variations are all within the scope defined by the appended claims.

Claims

1. A method for determining a targeted agent for pollution source remediation, characterized in that: include: Obtain analytical results for target pollutants in pollution sources; Determining the type of reactive oxygen species corresponding to the target pollutant according to the analysis result; The type of targeted agent for repairing the pollution source is determined according to the type of active oxygen species.

2. The method according to claim 1, characterized in that The analysis results include at least one of the following: highest occupied orbital energy, lowest occupied orbital energy, energy gap, vertical ionization energy, Fukui function value, and charge distribution of elements; Determining the type of active oxygen species according to the analysis results comprises: Determine the actual structure of the target pollutant according to the analysis result, wherein the actual structure includes molecular structure information and / or basic parent structure information; determine the type of reactive oxygen species corresponding to the target pollutant according to the actual structure of the target pollutant; or; Obtaining a correspondence between a preset pollutant and an active oxygen species; using the target pollutant to search in the correspondence between the pollutant and the active oxygen species to obtain the type of active oxygen species corresponding to the target pollutant.

3. The method according to claim 2, characterized in that Determining the type of active oxygen species corresponding to the target pollutant according to the actual structure of the target pollutant includes: Acquire the correspondence between preset structural information and reactive oxygen species; use the actual structure to search the correspondence between the structural information and reactive oxygen species to obtain the type of reactive oxygen species corresponding to the target pollutant; or; The reaction rates of the target pollutant and each reactive oxygen species are calculated according to the actual structure of the target pollutant; and the type of reactive oxygen species corresponding to the target pollutant is determined according to the reaction rates of the target pollutant and each reactive oxygen species.

4. The method according to claim 1, characterized in that: After determining the type of targeted agent for repairing the pollution source according to the type of reactive oxygen species, the method further includes: Obtaining restoration requirements, wherein the restoration requirements include at least one of the following: cost requirements, removal efficiency requirements, removal safety requirements, and environmental protection requirements; The determined type of the targeted agent is modified according to the repair requirement.

5. The method according to claim 1, characterized in that After determining the type of targeted agent for repairing the pollution source according to the type of reactive oxygen species, the method further includes: Obtaining actual reactive oxygen species generated by the targeted agent type when remediating the target pollutant; determining whether the actual reactive oxygen species belongs to the type of reactive oxygen species corresponding to the target pollutant; When the actual reactive oxygen species does not belong to the type of reactive oxygen species corresponding to the target pollutant, a prompt message is issued to adjust the preparation strategy of the targeted agent type.

6. The method according to claim 5, characterized in that Also includes: When the actual reactive oxygen species belongs to the type of reactive oxygen species corresponding to the target pollutant, a corresponding relationship between the type of targeted agent and the preparation strategy is generated.

7. A device for determining a targeted agent during pollution source remediation, characterized in that: include: An acquisition module, used to acquire analysis results of target pollutants in a pollution source; an active oxygen species type determination module, used to determine the type of active oxygen species according to the analysis result; The targeted agent type determination module is used to determine the targeted agent for repairing the pollution source according to the type of the reactive oxygen species.

8. A computer device, characterized in that: include: A memory and a processor, wherein the memory and the processor are communicatively connected to each other, the memory stores computer instructions, and the processor executes the method for determining a targeted agent during pollution source remediation as described in any one of claims 1 to 6 by executing the computer instructions.

9. A computer-readable storage medium, characterized in that: The computer-readable storage medium stores computer instructions, and the computer instructions are used to enable a computer to execute the method for determining a targeted agent during pollution source remediation according to any one of claims 1 to 6.

10. A computer program product, characterized in that The method comprises computer instructions for causing a computer to execute the method for determining a targeted agent during pollution source remediation according to any one of claims 1 to 6.

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