Method and apparatus for determining targeted agent for pollution source remediation, and computer device

Abstract

A method and apparatus for determining a targeted agent for pollution source remediation, and a computer device. The method for determining a targeted agent for pollution source remediation comprises: acquiring an analysis result from analysis of a target pollutant in a pollution source; on the basis of the analysis result, determining the type of reactive oxygen species corresponding to the target pollutant; and on the basis of the type of reactive oxygen species, determining the type of a targeted agent for remediating the pollution source. In the method, a target pollutant is analyzed, and the type of primarily responsive reactive oxygen species is used as a guide, in order to select a targeted agent in a targeted manner, such that during the remediation of a pollution source, the targeted agent can generate required dominant reactive oxygen species to efficiently react with and precisely oxidize the target pollutant, thereby realizing the remediation and treatment of soil and groundwater.

Description

Methods, apparatus, and computer equipment for determining targeted agents in pollution source remediation.

[0001] Cross-references to related applications

[0002] This application claims priority to Chinese Patent Application No. 202411896553.X, filed on December 20, 2024, entitled “Method, Apparatus and Computer Equipment for Determining Targeted Agents in Pollution Source Remediation”, the entire contents of which are incorporated herein by reference. Technical Field

[0003] This application relates to the field of soil and groundwater remediation technology, specifically to a method, apparatus, and computer equipment for determining targeted agents during pollution source remediation. Background Technology

[0004] In recent years, with the rapid pace of urbanization, industrialization, and agricultural modernization, soil and groundwater pollution has become increasingly serious, posing a severe threat to public health and ecological environment safety. Faced with this severe situation and the urgent need for remediation, the "Soil Pollution Prevention and Control Law," the "Groundwater Management Regulations," and the "Guiding Opinions on Promoting Soil Pollution Risk Management and Green Low-Carbon Remediation" have been successively promulgated, all emphasizing the importance of soil and groundwater pollution prevention and control. However, due to the wide range of sources of soil pollution and the diverse types of pollutants, especially organic pollutants, which are ubiquitous, complex, and highly hazardous, have become a focal point for the soil and groundwater remediation industry. Furthermore, the emergence of new pollutants such as antibiotics and perfluorinated compounds has further exacerbated the already challenging situation for remediation.

[0005] Traditional remediation processes for contaminated soil and groundwater, especially those based primarily on oxidation-reduction methods, often employ high-intensity measures such as random catalyst selection or large-scale oxidant application to rapidly reduce the total amount and concentration of contaminants, due to factors such as engineering time and cost. This not only results in high trial-and-error costs and remediation expenses but also leads to problems such as waste of large amounts of oxidants, over-remediation, and secondary pollution. The entire remediation process lacks a holistic, scientific, and systematic analysis, failing to maximize the utilization of oxidants and achieve precise oxidation. Summary of the Invention

[0006] In view of this, this application provides a method, apparatus and computer equipment for determining targeted agents during pollution source remediation, in order to solve the problem of the inability to achieve precise oxidation in the process of remediating contaminated soil and groundwater.

[0007] In a first aspect, this application provides a method for determining targeted agents for pollution source remediation, comprising the following steps: obtaining analytical results of analyzing a target pollutant in the pollution source; determining the type of reactive oxygen species corresponding to the target pollutant based on the analytical results; and determining the type of targeted agent for pollution source remediation based on the type of reactive oxygen species.

[0008] This application obtains analytical results of target pollutants in pollution sources, identifies the types of reactive oxygen species corresponding to the target pollutants based on the analytical results, and further determines the types of targeted agents for pollution source remediation based on the types of reactive oxygen species. In other words, by analyzing the target pollutants and using the dominant reactive oxygen species types (i.e., the types of reactive oxygen species corresponding to the target pollutants) as guidance, targeted agents are screened in a targeted manner. In this way, during pollution source remediation, the targeted agents can generate the required dominant reactive oxygen species to react efficiently and precisely oxidize the target pollutants, achieving soil and groundwater remediation and maximizing the utilization of oxidants.

[0009] In one optional implementation, the analysis results include at least one of the following: highest occupied orbital energy, lowest occupied orbital energy, band gap, vertical ionization energy, Fukui function value, and elemental charge distribution; determining the reactive oxygen species type 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 reactive oxygen species type corresponding to the target pollutant based on the actual structure of the target pollutant, or obtaining a preset correspondence between pollutants and reactive oxygen species; and using the target pollutant to search for the reactive oxygen species type corresponding to the target pollutant in the correspondence between pollutants and reactive oxygen species.

[0010] This allows for the rapid and accurate identification of reactive oxygen species that can react efficiently with target pollutants.

[0011] In one optional implementation, determining the reactive oxygen species type corresponding to the target pollutant based on its actual structure includes: obtaining a preset correspondence between structural information and reactive oxygen species; using the actual structure to search within the correspondence between structural information and reactive oxygen species to obtain the reactive oxygen species type corresponding to the target pollutant; or, calculating the reaction rate and reaction time of the target pollutant with each reactive oxygen species based on its actual structure; and determining the reactive oxygen species type corresponding to the target pollutant based on the reaction rate of the target pollutant with each reactive oxygen species.

[0012] This allows for the rapid and accurate identification of reactive oxygen species that can react efficiently with target pollutants.

[0013] In one alternative implementation, after determining the type of targeted agent for remediation of the pollution source based on the type of reactive oxygen species, the method further includes the following steps: 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 modifying the determined type of targeted agent based on the remediation requirements.

[0014] This allows the selected targeted agents to meet the modification requirements in the remediation of soil and groundwater.

[0015] In one optional implementation, after determining the type of targeted agent for remediation of the pollution source based on the type of reactive oxygen species, the method further includes the following steps: obtaining the actual reactive oxygen species generated when the targeted agent remediates the target pollutant; and issuing a prompt message to adjust the preparation strategy of the targeted agent when the actual reactive oxygen species does not belong to the type of reactive oxygen species corresponding to the target pollutant.

[0016] Therefore, by regulating the preparation strategy of targeted agents, it can be ensured that the selected targeted agents can generate reactive oxygen species that are highly effective in responding to target pollutants during the remediation of soil and groundwater.

[0017] In one optional implementation, after issuing a prompt message to regulate the preparation strategy of the targeted agent type, the following steps are further included: obtaining again the actual reactive oxygen species generated by the targeted agent type when remediating the pollution source; when the actual reactive oxygen species belongs to the reactive oxygen species type corresponding to the target pollutant, saving the preparation strategy of the targeted agent type and generating a correspondence between the targeted agent type and the preparation strategy.

[0018] This allows for the rapid determination of the preparation strategy for the next targeted drug type by understanding the correspondence between the targeted drug type and the preparation strategy.

[0019] Secondly, this application also provides a device for determining the targeted agent during pollution source remediation, comprising an acquisition module, a reactive oxygen species type determination module, and a targeted agent type determination module: the acquisition module is used to acquire the analysis results of the target pollutant in the pollution source; the reactive oxygen species type determination module is used to determine the reactive oxygen species type based on the analysis results; and the targeted agent type determination module is used to determine the type of targeted agent for pollution source remediation based on the reactive oxygen species type.

[0020] Thirdly, this application also provides a computer device, including a memory and a processor, which are communicatively connected to each other. The memory stores computer instructions, and the processor executes the computer instructions to perform the method for determining the targeted agent for pollution source remediation described in the first aspect or any corresponding embodiment.

[0021] Fourthly, this application also provides a computer-readable storage medium storing computer instructions for causing a computer to execute the method for determining a targeted agent during pollution source remediation as described in the first aspect or any corresponding embodiment.

[0022] Fifthly, this application also provides a computer program product, including computer instructions for causing a computer to execute the method for determining a targeted agent during pollution source remediation as described in the first aspect or any corresponding embodiment.

[0023] The method, apparatus, and computer equipment for determining targeted agents in pollution source remediation provided in this application have the following beneficial effects: By analyzing the target pollutant and using the main reactive oxygen species type (i.e., the reactive oxygen species type corresponding to the target pollutant) as a guide, targeted agents can be screened in a targeted manner. In this way, when remediating the pollution source, the targeted agent can generate the required dominant reactive oxygen species to react efficiently with the target pollutant, accurately achieve the remediation and treatment of soil and groundwater, and maximize the utilization of oxidants. Attached Figure Description

[0024] To more clearly illustrate the technical solutions in the specific embodiments of this application or the prior art, the drawings used in the description of the specific embodiments or the prior art will be briefly introduced below. Obviously, the drawings described below are some embodiments of this application. For those skilled in the art, other drawings can be obtained from these drawings without creative effort.

[0025] Figure 1 is a flowchart of a method for determining targeted agents during pollution source remediation according to an embodiment of this application;

[0026] Figure 2 is a flowchart of a method for determining targeted agents during pollution source remediation according to an embodiment of this application;

[0027] Figure 3 is a flowchart of a method for determining targeted agents in the remediation of another pollution source according to an embodiment of this application;

[0028] Figure 4 is a flowchart of an example of a targeted remediation method for soil and groundwater according to an embodiment of this application;

[0029] Figure 5 is a structural block diagram of the apparatus for determining the targeted agent during pollution source remediation according to an embodiment of this application;

[0030] Figure 6 is a schematic diagram of the hardware structure of a computer device according to an embodiment of this application. Detailed Implementation

[0031] To make the objectives, technical solutions, and advantages of the embodiments of this application clearer, the technical solutions of the embodiments of this application will be clearly and completely described below with reference to the accompanying drawings. Obviously, the described embodiments are only some embodiments of this application, not all embodiments. Based on the embodiments of this application, all other embodiments obtained by those skilled in the art without creative effort are within the scope of protection of this application.

[0032] According to an embodiment of this application, a method for determining a targeted agent during pollution source remediation is provided. It should be noted that the steps shown in the flowchart in the accompanying drawings can be executed in a computer system such as a set of computer-executable instructions. Furthermore, although a logical order is shown in the flowchart, in some cases, the steps shown or described may be executed in a different order than that shown here.

[0033] This embodiment provides a method for determining the targeted agent during pollution source remediation, which can be used with computer equipment. Figure 1 is a flowchart of the method for determining the targeted agent during pollution source remediation according to an embodiment of this application. As shown in Figure 1, the process includes the following steps:

[0034] Step S101: Obtain the analysis results of the target pollutants in the pollution source.

[0035] Specifically, the target pollutants include, but are not limited to, antibiotics, endocrine disruptors, phenols, perfluorinated compounds, and polycyclic aromatic hydrocarbons, among other organic pollutants.

[0036] Step S102: Determine the type of reactive oxygen species corresponding to the target pollutant based on the analysis results.

[0037] Specifically, the reactive oxygen species (ROS) types corresponding to the target pollutants can be understood as the ROS types that primarily respond during the remediation of pollution sources. ROS types include, but are not limited to, superoxide radicals, singlet oxygen, sulfate radicals, and hydroxyl radicals.

[0038] Step S103: Determine the type of targeted agent for remediation of the pollution source based on the type of reactive oxygen species.

[0039] Specifically, targeted agents include, but are not limited to, metal oxides / sulfides, carbon materials, single-atom materials, MOF-based derivatives, zero-valent iron, etc.

[0040] This embodiment obtains the analytical results of target pollutants in pollution sources. Based on the analytical results, it can determine the types of reactive oxygen species corresponding to the target pollutants. Furthermore, based on the types of reactive oxygen species, it can determine the types of targeted agents for pollution source remediation. In other words, by analyzing the target pollutants and using the dominant reactive oxygen species types (i.e., the types of reactive oxygen species corresponding to the target pollutants) as guidance, targeted agents are screened in a targeted manner. In this way, when remediating pollution sources, the targeted agents can generate the required dominant reactive oxygen species to react efficiently and precisely oxidize the target pollutants, achieving soil and groundwater remediation and maximizing the utilization of oxidants.

[0041] This embodiment provides a method for determining the targeted agent during pollution source remediation, which can be used with computer equipment. Figure 2 is a flowchart of another method for determining the targeted agent during pollution source remediation according to an embodiment of this application. As shown in Figure 2, the process includes the following steps:

[0042] Step S201: Obtain the analysis results of the target pollutants in the pollution source.

[0043] The analysis results include at least one of the following: highest occupied orbital energy, lowest occupied orbital energy, band gap, vertical ionization energy, Fukui function value, and element charge distribution.

[0044] Step S202: Determine the type of reactive oxygen species corresponding to the target pollutant based on the analysis results.

[0045] In one optional implementation, determining the type of reactive oxygen species based on the analysis results includes the following steps S2021 to S2022.

[0046] Step S2021: Determine 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.

[0047] Step S2022: Determine the type of reactive oxygen species corresponding to the target pollutant based on the actual structure of the target pollutant.

[0048] In one optional implementation, the type of reactive oxygen species corresponding to the target pollutant can be determined based on the actual structure of the target pollutant by the following method: calculating the reaction rate and reaction time of the target pollutant with each reactive oxygen species based on the actual structure of the target pollutant; and determining 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.

[0049] This is because, by analyzing parameters such as the highest occupied orbital energy (EHOMO), lowest occupied orbital energy (ELUMO), band gap (ΔE), and vertical ionization energy (VIP) of different target pollutants, as well as the charge distribution and Fukui function values ​​of each element, the molecular structure and basic parent structure of the target pollutants can be clearly defined. Studies have shown that pollutants with higher EHOMO, lower ΔE, and lower VIP are more likely to react with reactive oxygen species. Furthermore, the reaction time and reaction rate of target pollutants with different structures differ with different reactive oxygen species, thus determining the types of reactive oxygen species that predominate in the system.

[0050] In another optional implementation, the type of reactive oxygen species corresponding to the target pollutant can be determined based on the actual structure of the target pollutant by the following method: obtaining the correspondence between preset structural information and reactive oxygen species; and using 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.

[0051] The correspondence between structural information and reactive oxygen species can be obtained based on experience or through big data analysis.

[0052] In another optional implementation, the type of reactive oxygen species corresponding to the target pollutant can be determined based on the actual structure of the target pollutant by the following method: obtaining a preset correspondence between pollutants and reactive oxygen species; and using the target pollutant to search for the type of reactive oxygen species corresponding to the target pollutant in the correspondence between pollutants and reactive oxygen species.

[0053] The correspondence between pollutants and reactive oxygen species can be obtained empirically or through big data analysis. For example, in the correspondence between pollutants and reactive oxygen species, sulfonamides, sulfamethoxazole, and sulfamethazine 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.

[0054] Step S203: Determine the type of targeted agent for remediation of the pollution source based on the type of reactive oxygen species.

[0055] This embodiment obtains the analytical results of target pollutants in pollution sources, and determines the types of reactive oxygen species corresponding to the target pollutants based on the analytical results. Furthermore, it determines the types of targeted agents for pollution source remediation based on the types of reactive oxygen species. In other words, by analyzing the target pollutants and using the dominant reactive oxygen species types (i.e., the types of reactive oxygen species corresponding to the target pollutants) as guidance, targeted agents are screened in a targeted manner. In this way, during pollution source remediation, the targeted agents can generate the required dominant reactive oxygen species to react efficiently and precisely oxidize the target pollutants, achieving soil and groundwater remediation; and it can quickly and accurately determine the types of reactive oxygen species that can react efficiently with the target pollutants.

[0056] This embodiment provides a method for determining the targeted agent during pollution source remediation, which can be used with computer equipment. Figure 3 is a flowchart of another method for determining the targeted agent during pollution source remediation according to an embodiment of this application. As shown in Figure 3, the process includes the following steps:

[0057] Step S301: Obtain the analysis results of the target pollutants in the pollution source.

[0058] Step S302: Determine the type of reactive oxygen species corresponding to the target pollutant based on the analysis results.

[0059] Step S303: Determine the type of targeted agent for remediation of the pollution source based on the type of reactive oxygen species.

[0060] Step S304: Obtain 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.

[0061] Step S305: Modify the identified targeted drug type according to the repair requirements.

[0062] Step S306: Obtain the actual reactive oxygen species generated when the targeted agent is used to remediate the pollution source.

[0063] Step S307: Determine whether the actual reactive oxygen species belongs to the reactive oxygen species type corresponding to the target pollutant. If it does not belong, proceed to step S308; if it does belong, proceed to step S309.

[0064] Step S308: Issue a prompt message to regulate the preparation strategy of the targeted drug type.

[0065] Among them, the preparation strategies for targeted drugs include, but are not limited to, methods such as drug morphology, size, functional groups, exposed crystal planes, defects, single-atom anchoring and coordination.

[0066] Step S309: Generate the correspondence between the types of targeted drugs and the preparation strategies.

[0067] The method for determining targeted agents for pollution source remediation provided in this embodiment can not only analyze target pollutants and use the main reactive oxygen species types as guidance to screen targeted agents, but also regulate the preparation strategy of targeted agents to ensure that the selected targeted agents can generate reactive oxygen species types that are highly reactive to the target pollutants during soil and groundwater remediation, thereby achieving efficient, safe and reliable remediation technology.

[0068] Figure 4 is a flowchart of an example of a targeted remediation method for soil and groundwater according to an embodiment of this application. As shown in Figure 4, the targeted remediation method for soil and groundwater includes the following steps:

[0069] (1) Target pollutant analysis: Based on the detection results, analyze the types and physicochemical properties of pollutants in soil and groundwater, as well as the molecular structure characteristics of the pollutant parent.

[0070] (2) The main reactive oxygen species types: Based on the analysis results of the target pollutants and the existing research foundation, determine the main reactive oxygen species types of the target pollutants.

[0071] (3) Screening and regulation of targeted agents: Based on the type of reactive oxygen species that are the main response, the screening of targeted agents is guided. Then, the types of targeted agents are determined by using key factors. The physicochemical properties and catalytic activity of targeted agents are regulated by preparation or synthesis strategies.

[0072] (4) The main reactive oxygen species types that generate demand are selected and controlled. The targeted agents are added to the treatment system of soil and groundwater. The agents catalyze the generation of reactive oxygen species that generate demand in response to the target pollutants. Feedback and optimization are used to dynamically improve the preparation or synthesis strategy. The treatment system includes, but is not limited to, photocatalytic system, electrocatalytic system, advanced oxidation system, etc.

[0073] (5) The target pollutants and the reagents and reactive oxygen species interact with each other. The reagents and the main reactive oxygen species generated react rapidly with the target pollutants to achieve efficient removal of pollutants from soil and groundwater and complete the remediation of soil and groundwater. The oxidants include, but are not limited to, hydrogen peroxide, persulfate, peracetic acid, periodate, etc. The reaction between the reagents and the main reactive oxygen species generated and the target pollutants includes, but is not limited to, the adsorption of pollutants by the reagents, the adsorption of oxidants by the reagents to generate reactive oxygen species, and the interaction between reactive oxygen species and pollutants.

[0074] For example, when the target pollutant is phenol, the main reactive oxygen species is singlet oxygen. The target agents are screened and regulated to target carbon materials and single-atom materials. Based on the remediation requirements, carbon materials are screened and their functional groups are regulated to generate the main reactive oxygen species, singlet oxygen. Then, the target agents generate singlet oxygen and react efficiently with the target pollutant phenol to achieve the remediation goal.

[0075] In summary, this application has the following beneficial effects:

[0076] 1. The method provided in this application is based on a targeted removal approach. First, it involves analyzing the target pollutants, which helps to achieve precise oxidation, improve the utilization efficiency of oxidants and reactive oxygen species, and reduce trial and error and remediation costs.

[0077] 2. The method provided in this application utilizes reactive oxygen species in the reaction process as a guide to provide targets for the screening of targeted agents, making the remediation and treatment highly efficient, safe and reliable, while reducing the time cost of remediation and treatment.

[0078] 3. The method provided in this application selects targeted agents that preferentially react with the target pollutants, thereby reducing environmental disturbance and secondary pollution. Furthermore, the technical model provided by this method offers a new direction for the development of remediation technologies, contributing to the establishment of a "green, efficient, and reliable" remediation technology system, and has broad application prospects.

[0079] This embodiment also provides a device for determining the targeted agent during pollution source remediation. This device is used to implement the above embodiments and optional implementations, and details already described will not be repeated. As used below, the term "module" can refer to a combination of software and / or hardware that performs a predetermined function. Although the device described in the following embodiments is preferably implemented in software, hardware implementation, or a combination of software and hardware, is also possible and contemplated.

[0080] This embodiment provides a device for determining the targeted agent during pollution source remediation, as shown in Figure 5, including:

[0081] The acquisition module 501 is used to acquire the analysis results of the target pollutants in the pollution source.

[0082] The reactive oxygen species type determination module 502 is used to determine the reactive oxygen species type based on the analysis results.

[0083] The targeted agent type determination module 503 is used to determine the targeted agent for remediation of pollution sources based on the type of reactive oxygen species.

[0084] In one alternative implementation, the analysis results include at least one of the following: highest occupied orbital energy, lowest occupied orbital energy, band gap, vertical ionization energy, Fukui function value, and element charge distribution.

[0085] In one 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 based on the analysis results, 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 based on the actual structure of the target pollutant.

[0086] In one optional implementation, the reactive oxygen species type determination module 502 is specifically used to obtain a preset correspondence between pollutants and reactive oxygen species; and to use the target pollutant to search for the reactive oxygen species type corresponding to the target pollutant in the correspondence between pollutants and reactive oxygen species.

[0087] In one optional implementation, the species type determination unit is specifically used to: obtain a preset correspondence between structural information and reactive oxygen species; and use the actual structure to search for the reactive oxygen species type corresponding to the target pollutant in the correspondence between structural information and reactive oxygen species.

[0088] In one optional implementation, the species type determination unit is specifically used to: calculate the reaction rate of the target pollutant with each reactive oxygen species based on the actual structure of the target pollutant; and determine the reactive oxygen species type corresponding to the target pollutant based on the reaction rate of the target pollutant with each reactive oxygen species.

[0089] In one alternative implementation, after determining the type of targeted agent for remediation of the pollution source based on the type of reactive oxygen species, the targeted agent type determination module 503 is further configured to: obtain 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 modify the determined targeted agent type according to the remediation requirements.

[0090] In an optional implementation, after determining the type of targeted agent for remediation of the pollution source based on the type of reactive oxygen species, the targeted agent type determination module 503 is further configured to: obtain the actual reactive oxygen species generated when the targeted agent type remediates the target pollutant; determine whether the actual reactive oxygen species belongs to the type of reactive oxygen species corresponding to the target pollutant; and 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.

[0091] In an optional implementation, the targeted agent type determination module 503 is further configured to: generate a correspondence 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.

[0092] Further functional descriptions of the above modules and units are the same as those in the corresponding embodiments described above, and will not be repeated here.

[0093] In this embodiment, the device for determining the targeted agent during pollution source remediation is presented in the form of a functional unit. Here, a unit refers to an ASIC (Application Specific Integrated Circuit) circuit, a processor and memory that execute one or more software or fixed programs, and / or other devices that can provide the above functions.

[0094] This application embodiment also provides a computer device having the device for determining the targeted agent during pollution source remediation as shown in FIG5 above.

[0095] Please refer to Figure 6, which is a schematic diagram of the structure of a computer device provided in an optional embodiment of this application. As shown in Figure 6, the computer device includes: one or more processors 10, a memory 20, and interfaces for connecting the various components, including high-speed interfaces and low-speed interfaces. The various components communicate with each other using different buses and can be installed on a common motherboard or otherwise as needed. The processor can process instructions executed within the computer device, including instructions stored in or on memory to display graphical information of a GUI on an external input / output device (such as a display device coupled to the interface). In some optional embodiments, multiple processors and / or multiple buses can be used with multiple memories and multiple memory modules, if desired. Similarly, multiple computer devices can be connected, each providing some of the necessary operations (e.g., as a server array, a group of blade servers, or a multiprocessor system). Figure 6 uses one processor 10 as an example.

[0096] Processor 10 may be a central processing unit, a network processor, or a combination thereof. Processor 10 may further include a hardware chip. The hardware chip may be an application-specific integrated circuit (ASIC), a programmable logic device (PLD), or a combination thereof. The programmable logic device may be a complex programmable logic device (CAMP), a field-programmable gate array (FPGA), a general-purpose array logic (GDA), or any combination thereof.

[0097] The memory 20 stores instructions executable by at least one processor 10 to cause at least one processor 10 to perform the method shown in the above embodiments.

[0098] The memory 20 may include a program storage area and a data storage area. The program storage area may store the operating system and applications required for at least one function; the data storage area may store data created based on the use of the computer device. Furthermore, the memory 20 may include high-speed random access memory and may also include non-transitory memory, such as at least one disk storage device, flash memory device, or other non-transitory solid-state storage device. In some alternative embodiments, the memory 20 may optionally include memory remotely located relative to the processor 10, and these remote memories may be connected to the computer device via a network. Examples of such networks include, but are not limited to, the Internet, intranets, local area networks, mobile communication networks, and combinations thereof.

[0099] The memory 20 may include volatile memory, such as random access memory; the memory may also include non-volatile memory, such as flash memory, hard disk or solid-state drive; the memory 20 may also include a combination of the above types of memory.

[0100] The computer device also includes an input device 30 and an output device 40. The processor 10, memory 20, input device 30, and output device 40 can be connected via a bus or other means; Figure 6 shows an example of a connection via a bus.

[0101] Input device 30 can receive input numerical or character information, and generate key signal inputs related to user settings and function control of the computer device, such as a touchscreen, keypad, mouse, trackpad, touchpad, joystick, one or more mouse buttons, trackball, joystick, etc. Output device 40 may include display devices, auxiliary lighting devices (e.g., LEDs), and haptic feedback devices (e.g., vibration motors). The aforementioned display devices include, but are not limited to, liquid crystal displays, light-emitting diodes, displays, and plasma displays. In some alternative embodiments, the display device may be a touchscreen.

[0102] This application also provides a computer-readable storage medium. The methods described in this application can be implemented in hardware or firmware, or implemented as recordable on a storage medium, or implemented as computer code downloaded over a network and originally stored on a remote storage medium or a non-transitory machine-readable storage medium and subsequently stored on a local storage medium. Thus, the methods described herein can be processed by software stored on a storage medium using a general-purpose computer, a dedicated processor, or programmable or dedicated hardware. The storage medium can be a magnetic disk, optical disk, read-only memory, random access memory, flash memory, hard disk, or solid-state drive, etc.; further, the storage medium can also include combinations of the above types of memory. It is understood that computers, processors, microprocessor controllers, or programmable hardware include storage components capable of storing or receiving software or computer code. When the software or computer code is accessed and executed by the computer, processor, or hardware, the methods shown in the above embodiments are implemented.

[0103] A portion of this application can be applied as a computer program product, such as computer program instructions, which, when executed by a computer, can invoke or provide the methods and / or technical solutions according to this application through the operation of the computer. Those skilled in the art will understand that the forms in which computer program instructions exist in a computer-readable medium include, but are not limited to, source files, executable files, installation package files, etc. Correspondingly, the ways in which computer program instructions are executed by a computer include, but are not limited to: the computer directly executing the instructions, or the computer compiling the instructions and then executing the corresponding compiled program, or the computer reading and executing the instructions, or the computer reading and installing the instructions and then executing the corresponding installed program. Here, the computer-readable medium can be any available computer-readable storage medium or communication medium accessible to a computer.

[0104] Although embodiments of this application have been described in conjunction with the accompanying drawings, those skilled in the art can make various modifications and variations without departing from the spirit and scope of this application, and all such modifications and variations fall within the scope defined by the appended claims.

Claims

1. A method for determining targeted agents in pollution source remediation, characterized in that, include: To obtain analytical results of target pollutants in pollution sources; Based on the analysis results, determine the type of reactive oxygen species corresponding to the target pollutant; The type of targeted agent for remediation of the pollution source is determined based on the type of reactive 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, band gap, vertical ionization energy, Fukui function value, and element charge distribution; The determination of reactive oxygen species types based on the analysis results includes: Based on the analysis results, the actual structure of the target pollutant is determined, wherein the actual structure includes molecular structure information and / or basic parent structure information; based on the actual structure of the target pollutant, the type of reactive oxygen species corresponding to the target pollutant is determined. or, Obtain the preset correspondence between pollutants and reactive oxygen species; use the target pollutant to search for the type of reactive oxygen species corresponding to the target pollutant in the correspondence between pollutants and reactive oxygen species.

3. The method according to claim 2, characterized in that, The process of determining the type of reactive oxygen species corresponding to the target pollutant based on its actual structure includes: Obtain the correspondence between preset structural information and reactive oxygen species; use the actual structure to search within the correspondence between the structural information and reactive oxygen species to obtain the type of reactive oxygen species corresponding to the target pollutant; or, Calculate the reaction rate of the target pollutant with each reactive oxygen species based on the actual structure of the target pollutant; determine the type of reactive oxygen species corresponding to the target pollutant based on the reaction rate of the target pollutant with each reactive oxygen species.

4. The method according to claim 1, characterized in that, After determining the type of targeted agent for remediation of the pollution source based on the type of reactive oxygen species, the method further includes: Obtain 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; The identified targeted drug types are modified according to the repair requirements.

5. The method according to claim 1, characterized in that, After determining the type of targeted agent for remediation of the pollution source based on the type of reactive oxygen species, the method further includes: Obtain the actual reactive oxygen species generated by the targeted agent when remediating 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 reactive oxygen species type corresponding to the target pollutant, a prompt message is issued to adjust the preparation strategy of the targeted agent.

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

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

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

9. A computer-readable storage medium, characterized in that, The computer-readable storage medium stores computer instructions for causing the computer to perform the method for determining the targeted agent during pollution source remediation according to any one of claims 1 to 6.

10. A computer program product, characterized in that, Includes computer instructions for causing a computer to perform the method for determining a targeted agent during pollution source remediation as described in any one of claims 1 to 6.

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