Chemical reaction network processing method, apparatus, device, and storage medium

Abstract

This application provides a chemical reaction network processing method, apparatus, device, and storage medium. The method includes: acquiring detectable molecules detected in reactants and products of a target chemical process involving a target raw material; acquiring a complete chemical reaction network of the target chemical process involving the target raw material based on the molecular structure of the detectable molecules of the reactants and a preset reaction rule; acquiring candidate chemical reaction networks corresponding to each reaction number from the complete chemical reaction network based on the number of reactions between detectable and undetectable molecules in the complete chemical reaction network; and determining the target chemical reaction network of the target chemical process involving the target raw material from multiple candidate chemical reaction networks. The method of this application simplifies the complete chemical reaction network, improves the efficiency of acquiring information included in the chemical reaction network, and increases the speed at which the network participates in calculations during subsequent practical applications or analytical processes.

Description

Technical Field

[0001] This application relates to the field of chemistry, and more particularly to a method, apparatus, device, and storage medium for processing chemical reaction networks. Background Technology

[0002] In chemical engineering, establishing mechanism-based process simulation models for complex molecular reaction systems has long been a focus of attention. The core of simulating complex molecular reaction systems lies in constructing the chemical reaction network of complex reactions. Currently, due to the large number of molecules and chemical reactions contained in the reaction network, computer-aided reaction network construction technology is primarily used to construct the chemical reaction network for complex reactions.

[0003] However, current methods for constructing chemical reaction networks suffer from problems such as excessive redundant information and low information acquisition efficiency. Summary of the Invention

[0004] This application provides a chemical reaction network processing method, apparatus, device, and storage medium to solve the problem that current chemical reaction network construction methods result in chemical reaction networks with excessive redundant information and low information acquisition efficiency.

[0005] In a first aspect, this application provides a method for processing a chemical reaction network, comprising:

[0006] To obtain detectable molecules from the reactants and products of the target raw materials used in the target chemical process;

[0007] Based on the molecular structure of detectable molecules of the reactants and the preset reaction rules, the complete chemical reaction network for the target raw material to perform the target chemical process is obtained; the reaction rules are used to characterize the product molecular structure inferred from the molecular structure of the reactants.

[0008] Based on the number of reactions between detectable and undetectable molecules in the complete chemical reaction network, candidate chemical reaction networks corresponding to each reaction number are obtained from the complete chemical reaction network; the candidate chemical reaction networks are used to describe the chemical reactions corresponding to the current reaction number and the previous reaction numbers.

[0009] The target chemical reaction network for performing the target chemical process on the target raw material is determined from a plurality of candidate chemical reaction networks.

[0010] Optionally, obtaining candidate chemical reaction networks corresponding to each reaction number from the complete chemical reaction network based on the number of reactions between detectable and undetectable molecules in the complete chemical reaction network includes:

[0011] Based on the different number of reactions between detectable and undetectable molecules in the complete chemical reaction network, and the reaction screening rules corresponding to each number of reactions, chemical reactions corresponding to each number of reactions are determined from the complete chemical reaction network; the reaction screening rules include: chemical reactions corresponding to intermediate reactant molecules whose number of reactions with the detectable molecules does not exceed a preset number, and chemical reactions corresponding to product molecules including detectable molecules and / or transition molecules; the intermediate reactant is an intermediate product in the chemical reaction chain; the reactant molecule of the transition molecule, and the product molecule generated by the transition molecule are all molecules of detectable molecules, and the reactant of the transition molecule is the reactant, or the intermediate reactant;

[0012] Based on the chemical reaction corresponding to each reaction number, and the molecules in that chemical reaction stored in an empty chemical reaction network, a candidate chemical reaction network corresponding to each reaction number is obtained.

[0013] Optionally, determining the target chemical reaction network for performing the target chemical process on the target raw material from a plurality of candidate chemical reaction networks includes:

[0014] Obtain the kinetic model of the complete chemical reaction network, as well as the kinetic models of the multiple candidate chemical reaction networks;

[0015] Based on the kinetic model of the complete chemical reaction network and the kinetic models of the multiple candidate chemical reaction networks, the target chemical reaction network for the target raw material to perform the target chemical process is determined from the multiple candidate chemical reaction networks.

[0016] Optionally, determining the target chemical reaction network for the target raw material to perform the target chemical process from among the multiple candidate chemical reaction networks based on the kinetic model of the complete chemical reaction network and the kinetic models of the multiple candidate chemical reaction networks includes:

[0017] Based on the kinetic model of the complete chemical reaction network, the characteristics of the chemical reaction products in the complete chemical reaction network are obtained;

[0018] Based on the kinetic models of the multiple candidate chemical reaction networks, the characteristics of the chemical reaction products in the multiple candidate chemical reaction networks are obtained;

[0019] Candidate chemical reaction networks whose chemical reaction product characteristics are similar to those in the complete chemical reaction network are identified as target chemical reaction networks.

[0020] Optionally, obtaining the characteristics of chemical reaction products in the complete chemical reaction network based on the kinetic model of the complete chemical reaction network includes:

[0021] Based on the kinetic model of the complete chemical reaction network, the reaction rate of each chemical reaction in the complete chemical reaction network is obtained;

[0022] Based on the reaction rate of each chemical reaction, the characteristics of the chemical reaction products corresponding to the complete chemical reaction network are determined.

[0023] Optional, also includes:

[0024] Determine whether the target chemical reaction network is consistent with the complete chemical reaction network;

[0025] If they match, then remove the undetectable molecules from the final product molecules in the target chemical reaction network, as well as the chemical reaction that generates the undetectable molecules from the final product molecules.

[0026] Optionally, obtaining the complete chemical reaction network for the target chemical process using the target raw material based on the molecular structure of detectable molecules of the reactants and a preset reaction rule includes:

[0027] Based on the detectable molecules of the reactants, an initial list of molecules is obtained, as well as the reaction rules corresponding to the detectable molecules of the reactants;

[0028] Based on the detectable molecules of the reactants in the initial molecular list, the reaction rules corresponding to the detectable molecules of the reactants are traversed to generate new molecules until no new molecules are generated; the new molecules are different from the molecules in the initial molecular list.

[0029] Based on all chemical reactions and all molecules in the traversal process, the complete chemical reaction network is generated.

[0030] Secondly, this application provides a chemical reaction network processing device, comprising:

[0031] The first acquisition module is used to acquire detectable molecules detected in the reactants and products of the target chemical process performed on the target raw materials;

[0032] The processing module is used to obtain the complete chemical reaction network of the target raw material for the target chemical process based on the molecular structure of the detectable molecules of the reactants and the preset reaction rules; the reaction rules are used to characterize the product molecular structure inferred from the molecular structure of the reactants.

[0033] The second acquisition module is used to acquire candidate chemical reaction networks corresponding to each reaction number from the complete chemical reaction network based on the number of reactions between detectable and undetectable molecules in the complete chemical reaction network; the candidate chemical reaction networks are used to describe the chemical reactions corresponding to the current reaction number and the previous reaction numbers.

[0034] A determination module is used to determine, from a plurality of candidate chemical reaction networks, the target chemical reaction network for performing the target chemical process on the target raw material.

[0035] Thirdly, this application provides an electronic device, including: a processor, a communication interface, and a memory; the processor is communicatively connected to the communication interface and the memory respectively;

[0036] The memory stores computer-executed instructions;

[0037] The communication interface communicates and interacts with external devices.

[0038] The processor executes computer execution instructions stored in the memory to implement the method as described in any one of the first aspects.

[0039] Fourthly, this application provides a computer-readable storage medium storing computer-executable instructions, which, when executed by a processor, are used to implement the chemical reaction network processing method as described in any one of the first aspects.

[0040] Fifthly, this application provides a computer program product, which, when executed by a processor, is used to implement the chemical reaction network processing method as described in any one of the first aspects.

[0041] The chemical reaction network processing method, apparatus, equipment, and storage medium provided in this application acquire detectable molecules detected in the reactants and products of a target chemical process using target raw materials. Based on the different reaction times between detectable and undetectable molecules within the complete chemical reaction network, the chemical elements in the complete chemical reaction network are screened to obtain multiple candidate chemical reaction networks. From these candidate networks, a network whose product characteristics are similar to the complete chemical reaction network is selected as the target chemical reaction network. This simplifies the complete chemical reaction network, improves the efficiency of acquiring information included in the network, and increases the speed at which the network participates in calculations during subsequent practical applications or analytical processes. Attached Figure Description

[0042] The accompanying drawings, which are incorporated in and form part of this specification, illustrate embodiments consistent with this application and, together with the description, serve to explain the principles of this application.

[0043] Figure 1 A schematic flowchart of a chemical reaction network processing method provided in an embodiment of this application;

[0044] Figure 2 A schematic flowchart of another chemical reaction network processing method provided in an embodiment of this application;

[0045] Figure 3 A schematic flowchart of another chemical reaction network processing method provided in the embodiments of this application;

[0046] Figure 4 A schematic flowchart of another chemical reaction network processing method provided in an embodiment of this application;

[0047] Figure 5 A schematic flowchart of another chemical reaction network processing method provided in an embodiment of this application;

[0048] Figure 6 This is a schematic diagram of a reaction apparatus for a naphtha catalytic reforming process provided in an embodiment of this application;

[0049] Figure 7 A schematic flowchart of a chemical reaction network processing method for naphtha catalytic reforming provided in this application embodiment;

[0050] Figure 8 A schematic diagram illustrating the distribution of detectable molecules according to the number of carbon atoms in the molecules, provided for an embodiment of this application;

[0051] Figure 9 A schematic diagram of a preset reaction rule provided in an embodiment of this application;

[0052] Figure 10 A flowchart illustrating an automatic chemical reaction network generation algorithm provided in an embodiment of this application;

[0053] Figure 11 A schematic diagram of a complete chemical reaction network provided in an embodiment of this application;

[0054] Figure 12 A schematic diagram of a candidate chemical reaction network provided in an embodiment of this application;

[0055] Figure 13 A comparison chart of distillation results provided for an embodiment of this application;

[0056] Figure 14 A comparative diagram showing the distribution of hydrocarbon products provided in an embodiment of this application;

[0057] Figure 15 A comparative diagram of the temperature distribution of a chemical reaction provided for an embodiment of this application;

[0058] Figure 16 A comparative diagram showing the mass distribution of a benzene-based substance provided in an embodiment of this application;

[0059] Figure 17 A comparative diagram of the relative molecular weight distribution of a substance provided for an embodiment of this application;

[0060] Figure 18 This is a schematic diagram of the structure of a chemical reaction network processing device provided in an embodiment of this application;

[0061] Figure 19 This is a schematic diagram of the structure of an electronic device provided in an embodiment of this application.

[0062] The accompanying drawings illustrate specific embodiments of this application, which will be described in more detail below. These drawings and descriptions are not intended to limit the scope of the concept in any way, but rather to illustrate the concept of this application to those skilled in the art through reference to particular embodiments. Detailed Implementation

[0063] Exemplary embodiments will now be described in detail, examples of which are illustrated in the accompanying drawings. When the following description relates to the drawings, unless otherwise indicated, the same numbers in different drawings denote the same or similar elements. The embodiments described in the following exemplary embodiments do not represent all embodiments consistent with this application. Rather, they are merely examples of apparatuses and methods consistent with some aspects of this application as detailed in the appended claims.

[0064] First, let me explain the terms used in this application:

[0065] A chemical reaction network is a network formed by the chemical reactions of molecules of pre-defined reactants according to pre-defined reaction rules. This network includes reactant molecules, chemical reactions, and product molecules. It is used to simulate chemical reactions of complex chemical molecules.

[0066] Currently, chemical reaction networks are constructed using computer-aided reaction network construction technology. By inputting the reactant molecules corresponding to the target raw material and the corresponding reaction rules into an automatic chemical reaction network generation algorithm, the algorithm obtains all the chemical reactions that the reactant molecule structure may undergo under the reaction rules, as well as all the product molecules generated according to these chemical reactions, thereby obtaining the complete chemical reaction network of the target raw material under the chemical process.

[0067] When constructing a complete chemical reaction network using computer-aided reaction network (CADR) technology, the types of reactions to be considered are gradually increasing with the development of chemical technology. The molecular size and number of reactant molecules in the reactants are also gradually increasing, leading to an exponential increase in the number of chemical reactions and product molecules included in the complete chemical reaction network. However, in this case, the complete chemical reaction network automatically generated by CADR technology may contain a large amount of redundant chemical reaction information that is theoretically possible but does not exist in reality. This large amount of redundant chemical reaction information reduces the efficiency of acquiring the information contained in the complete chemical reaction network and slows down the computational speed of the network in subsequent practical applications or analyses.

[0068] In view of this, this application provides a chemical reaction network processing method. This method involves acquiring detectable molecules detected in the reactants and products of a target chemical process using target raw materials. Based on the different reaction times between detectable and undetectable molecules within the complete chemical reaction network, the chemical elements in the complete chemical reaction network are screened to obtain multiple candidate chemical reaction networks. From these candidate networks, a network whose product characteristics are similar to those of the complete chemical reaction network is selected as the target chemical reaction network. This simplifies the complete chemical reaction network, improves the efficiency of acquiring information contained within it, and increases the speed at which the network participates in calculations during subsequent practical applications or analytical processes.

[0069] The executing entity of the chemical reaction network processing method provided in this application can be a terminal device with data processing capabilities, or the processing chip of such a terminal device. When the executing entity is a terminal device with data processing capabilities, this terminal device can be, for example, a computing device such as a computer or mobile phone with computing capabilities. This computing device can be equipped with software or program code that runs the chemical reaction network processing method, and the chemical reaction network is processed through this software or program code. The executing entity of this method can also be a cloud platform with data processing capabilities. When the executing entity is a cloud platform, the processing of the chemical reaction network in this method can be performed in the cloud. This cloud platform can be logically divided into multiple parts according to actual needs, each part having different functions. The various parts of the data processing platform can be deployed in any two or three of the following: electronic devices (located on the user side), edge environments, and cloud environments. The edge environment includes a set of edge electronic devices located close to the electronic devices, such as edge servers and edge stations with computing power. The various parts of the data processing platform deployed in different environments or devices work together to realize the functions of the data processing platform. It should be understood that this application does not restrict the specific deployment of which parts of the data processing platform are deployed in which environments. In practical applications, deployment can be adapted based on the computing power of electronic devices, the resource availability of edge and cloud environments, or specific application requirements.

[0070] The following uses a chemical reaction network processing software deployed on a computing device as an example to illustrate the technical solution of this application and how it solves the aforementioned technical problems through specific embodiments. These specific embodiments can be combined with each other, and the same or similar concepts or processes may not be described again in some embodiments. The embodiments of this application will now be described with reference to the accompanying drawings.

[0071] Figure 1 This is a schematic flowchart of a chemical reaction network processing method provided in an embodiment of this application.

[0072] like Figure 1 As shown, the method may include:

[0073] S101. Obtain detectable molecules detected in the reactants and products of the target raw material during the execution of the target chemical process.

[0074] The target raw material can be a complex mixture whose molecular composition can be detected by analytical instruments, such as petroleum and its distillate oils, complex components after coal gasification, natural gas, biomass oil, etc.; the target chemical process can be any chemical process applied to process the complex raw material. It should be understood that the target raw material and the target chemical process can be determined according to actual needs. For example, when the actual need is the catalytic reforming process of naphtha, then the target raw material is naphtha, the target chemical process is catalytic reforming, and the corresponding main chemical product is high-octane gasoline.

[0075] The detectable molecules include detectable molecules in the reactants and detectable molecules in the products. The reactants are the portions of the target raw material that can undergo chemical reactions during the target chemical process. In subsequent embodiments of this application, an example is given where all components of the target raw material can undergo chemical reactions.

[0076] One possible implementation is that the detectable molecule can be obtained, for example, through a chemical analysis instrument, which may include, but is not limited to, gas chromatography, liquid chromatography, mass spectrometry, and other instruments capable of detecting molecular composition. In this implementation, the detectable molecule of the reactant can be obtained, for example, at the inlet of the reactor executing the target chemical process before execution; and the detectable molecule of the product can be obtained, for example, at the outlet of the reactor executing the target chemical process after completion.

[0077] Another possible implementation is that the detectable molecule can be obtained from molecular information stored in other devices, such as from a database or storage medium that pre-stores the detectable molecule information.

[0078] S102. Based on the molecular structure of detectable molecules of the reactants and the preset reaction rules, obtain the complete chemical reaction network for the target raw materials to perform the target chemical process.

[0079] The reaction rule is used to characterize the product molecular structure inferred from the molecular structure of the reactants. This pre-defined reaction rule can be determined based on the molecular structure of the detectable molecules of the reactants, and includes all possible chemical reaction rules that may occur when the target raw material undergoes the target chemical process, based on the molecular structure of the detectable molecules of the reactants.

[0080] One possible implementation is that the complete chemical reaction network for the target raw material to perform the target chemical process can be obtained from a database consisting of a set of multiple complete chemical reaction networks, based on the molecular structure of the detectable molecules of the reactant and the preset reaction rules. The database also includes the molecular structure of the detectable molecules of the reactant, the preset reaction rules, and the mapping relationship between the complete chemical reaction network.

[0081] Another possible approach involves constructing a complete chemical reaction network for the target raw material to perform the target chemical process, based on the molecular structure of detectable molecules of the reactants and pre-defined reaction rules. Using these pre-defined reaction rules, the chemical reactions that the molecular structure of the reactants can undergo and the corresponding product molecules are predicted. This process continues, based on the pre-defined reaction rules, to predict subsequent chemical reactions of the products, until all theoretically possible chemical reactions of the target raw material during the target chemical process, and the molecules of all products generated, are obtained. Based on these chemical reactions and the molecules of these products, the complete chemical reaction network is constructed.

[0082] S103. Based on the number of reactions between detectable and undetectable molecules in the complete chemical reaction network, obtain candidate chemical reaction networks corresponding to each number of reactions from the complete chemical reaction network.

[0083] The candidate chemical reaction network is used to describe the chemical reactions corresponding to the current reaction count and previous reaction counts. For example, if the maximum number of reactions between detectable and undetectable molecules in the complete chemical reaction network is 8, and the candidate chemical reaction network selects a reaction count of 2, then the candidate chemical reaction network is used to describe chemical reactions with 0, 1, and 2 reaction counts. The number of reactions that the obtained candidate chemical reaction network can select can be any integer value greater than 0 and less than or equal to the maximum number of reactions between detectable and undetectable molecules in the complete chemical reaction network, such as 1, 2, ..., 8, etc.

[0084] Therefore, it can be concluded that the number of chemical reactions described in the candidate chemical reaction network is less than or equal to the number of chemical reactions described in the complete chemical reaction network.

[0085] S104. Determine the target chemical reaction network from multiple candidate chemical reaction networks to execute the target chemical process using the target raw materials.

[0086] One possible approach is to determine the target chemical reaction network among multiple candidate chemical reaction networks based on the chemical reaction products obtained after performing a target chemical process on the target raw material.

[0087] Another possible approach is to determine the chemical reaction product characteristics obtained from the kinetic model of each chemical reaction network based on the kinetic model of the complete chemical reaction network and the kinetic model of each candidate chemical reaction network, and then select the candidate chemical reaction network whose chemical reaction product characteristics are closest to those obtained from the kinetic model of the complete chemical reaction network as the target chemical reaction network.

[0088] The chemical reaction network processing method provided in this application obtains detectable molecules detected in the reactants and products of a target chemical process using target raw materials, and the complete chemical reaction network corresponding to the detectable molecules of the reactants under preset reaction rules. The complete chemical reaction network is then screened using the number of reactions between detectable and undetectable molecules in the complete chemical reaction network. From the multiple candidate chemical reaction networks (i.e. simplified complete chemical reaction networks) screened out, a target chemical reaction network that meets the actual needs is determined. This simplifies the complete chemical reaction network, improves the efficiency of obtaining the information included in the chemical reaction network, and increases the speed at which the network participates in calculations in subsequent practical applications or analysis processes.

[0089] The following section provides a detailed explanation of how, in step S103, candidate chemical reaction networks are obtained from the complete chemical reaction network based on the number of reactions between detectable and undetectable molecules in the complete chemical reaction network. Figure 2 This is a schematic flowchart of another chemical reaction network processing method provided in an embodiment of this application. Figure 2 As shown, the aforementioned step S103 may include:

[0090] S201. Based on the different number of reactions between detectable and undetectable molecules in the complete chemical reaction network, and the reaction screening rules corresponding to each number of reactions, determine the chemical reaction corresponding to each number of reactions from the complete chemical reaction network.

[0091] The reaction screening rules include: chemical reactions corresponding to intermediate reactant molecules whose reaction frequency with detectable molecules does not exceed a preset number, and chemical reactions corresponding to product molecules including detectable molecules and / or transition molecules. The intermediate reactant is an intermediate product in the chemical reaction chain. The reactant molecule of the transition molecule, and the product molecule generated by the transition molecule, are both detectable molecules, and the reactant of the transition molecule is either the reactant or the intermediate reactant.

[0092] This reaction screening rule ensures the number of chemical reactions between detectable molecules and intermediate reactants. Since detectable molecules can be detected to a certain extent, the fewer the number of reactions, the higher the probability of the intermediate reactant's presence. By limiting the preset number of reactions, it effectively reduces the likelihood of theoretically possible but actually nonexistent chemical reactions. Similarly, chemical reactions involving detectable molecules have a higher probability of existence. Similarly, chemical reactions involving transition molecules also have a higher probability of existence because both the transition molecule and its product are detectable.

[0093] The above reaction screening rules can effectively filter out redundant chemical reaction information in the complete chemical reaction network.

[0094] Within the maximum number of reactions between detectable and undetectable molecules in a complete chemical reaction network, the corresponding chemical reactions can be obtained by grouping each group based on the number of reactions.

[0095] S202. Based on the chemical reaction corresponding to each reaction number, and the molecules in the chemical reaction stored in an empty chemical reaction network, a candidate chemical reaction network corresponding to each reaction number is obtained.

[0096] This empty chemical reaction network contains no molecules or chemical reactions and is used to store chemical reactions selected from the complete chemical reaction network, as well as the molecules in those reactions.

[0097] Taking a reaction count of 1 as an example, the chemical reactions corresponding to intermediate reactants that have no more than 1 reaction count with detectable molecules in the complete chemical reaction network, as well as the chemical reactions corresponding to product molecules including detectable molecules and / or transition molecules, are screened and obtained. These chemical reactions and the molecules in these chemical reactions are stored in an empty chemical reaction network to obtain a candidate chemical reaction network with a reaction count of 1.

[0098] The method provided in this application filters out chemical reactions with low probability of existence in the complete chemical reaction network by limiting the number of reactions between detectable and undetectable molecules. Based on the chemical reactions with high probability of existence and the molecules corresponding to the reactions, a candidate chemical reaction network corresponding to the number of reactions is generated, thereby obtaining multiple simplified chemical reaction networks, which provides a selection basis for subsequent determination of the target chemical reaction network.

[0099] The following section provides a detailed explanation of how to determine the target chemical reaction network for the target raw material to perform the target chemical process from multiple candidate chemical reaction networks in step S104. Figure 3This is a schematic flowchart of another chemical reaction network processing method provided in an embodiment of this application. Figure 3 As shown, step S104 may include:

[0100] S301. Obtain the kinetic model of the complete chemical reaction network, and the kinetic models of multiple candidate chemical reaction networks.

[0101] The kinetic model of the chemical reaction network can be referenced from existing technologies, and will not be elaborated here.

[0102] One possible implementation is that the kinetic model can be implemented by outputting molecular and chemical reaction information included in the chemical reaction network to an electronic device or software for model transformation.

[0103] Another possible implementation is that the kinetic model can be constructed directly from the molecular and chemical reaction information included in the chemical reaction network.

[0104] S302. Based on the kinetic model of the complete chemical reaction network and the kinetic models of multiple candidate chemical reaction networks, determine the target chemical reaction network for the target raw material to perform the target chemical process from the multiple candidate chemical reaction networks.

[0105] Among the kinetic models of multiple candidate chemical reaction networks, those whose models are similar to the kinetic model of the complete chemical reaction network are identified as the target chemical reaction networks for the target raw materials to perform the target chemical process.

[0106] For example, the target chemical reaction network for executing the target chemical process can be determined based on the characteristics of the chemical reaction products in the chemical reaction network. These chemical reaction product characteristics may include, for example, the distribution of the reaction products in the reaction environment and the temperature conditions.

[0107] S3021. Based on the kinetic model of the complete chemical reaction network, obtain the characteristics of the chemical reaction products in the complete chemical reaction network.

[0108] The characteristics of the chemical reaction products are obtained based on a kinetic model of the chemical reaction network. For example, the reaction rate of each chemical reaction in the network can be obtained from the kinetic model, thereby obtaining the characteristics of the chemical reaction products. Alternatively, it can be achieved using other methods of obtaining chemical reaction product characteristics from a kinetic model in the prior art, and this application does not limit this. The following explanation uses obtaining chemical reaction product characteristics based on reaction rate as an example.

[0109] Based on the kinetic model of this complete chemical reaction network, the reaction rate of each chemical reaction in the network is obtained. Taking catalytic reforming as an example, the reaction rate of each chemical reaction in the complete chemical reaction network is illustrated. This reaction rate can be calculated, for example, using the following formula:

[0110]

[0111]

[0112] Where i represents each chemical molecule, j represents each chemical reaction; r j The reaction rate of each chemical reaction; These are the reaction rate constants for each chemical reaction; C represents the adsorption constant of each molecule; i The concentration of each molecule; A j Ea represents the pre-exponential factor for each chemical reaction. j denoted as , where is the activation energy of each chemical reaction; R is the ideal gas constant; T is the reaction temperature in Kelvin (K); and m and n are the stoichiometric coefficients of the reactant molecules.

[0113] For each chemical reaction, its reaction rate can be calculated using the above formulas (1) and (2). This kinetic model can include all chemical reactions in the complete chemical reaction network.

[0114] Based on the reaction rate of each chemical reaction, the characteristics of the chemical reaction products corresponding to the complete chemical reaction network are determined. Specifically, the molecular distribution of reactants and products, as well as the temperature of each substance, can be determined based on the reaction rate of each chemical reaction. This method of determination is well-known in the art and can be referenced from existing technologies, so it will not be elaborated further here.

[0115] S3022. Based on the kinetic model of multiple candidate chemical reaction networks, obtain the characteristics of chemical reaction products in multiple candidate chemical reaction networks.

[0116] The implementation of this step is similar to obtaining the characteristics of chemical reaction products in the complete chemical reaction network based on the kinetic model of the complete chemical reaction network in step S3021, and will not be repeated here.

[0117] S3023. Candidate chemical reaction networks whose chemical reaction product characteristics are similar to those in the complete chemical reaction network are identified as target chemical reaction networks.

[0118] One possible approach is to identify candidate chemical reaction networks whose differences between the chemical reaction product characteristics and those in the complete chemical reaction network are less than a preset threshold as target chemical reaction networks.

[0119] Another possible approach is to identify the candidate chemical reaction network that minimizes the difference between the chemical reaction product characteristics and the chemical reaction product characteristics in the complete chemical reaction network as the target chemical reaction network.

[0120] After identifying the target chemical reaction network for the target chemical process from multiple candidate chemical reaction networks, this target chemical reaction network may be a network of the complete chemical reaction network system. In this case, further simplification of the target chemical reaction network is required. Figure 4 This is a schematic flowchart illustrating another chemical reaction network processing method provided in an embodiment of this application. Figure 4 As shown, the method may further include:

[0121] S401. Determine whether the target chemical reaction network is consistent with the complete chemical reaction network.

[0122] If the molecules included in the target chemical reaction network are the same as those included in the complete chemical reaction network, and the chemical reactions included in the target chemical reaction network are the same as those included in the complete chemical reaction network, then the target chemical reaction network is consistent with the complete chemical reaction network.

[0123] S402. If consistent, delete the undetectable molecule in the final product molecule of the target chemical reaction network, and the chemical reaction that generates the undetectable molecule in the final product molecule.

[0124] In this context, the final product molecule refers to the molecule that is the final product generated in each chemical reaction chain, and this final product molecule will not undergo any further chemical reaction. Undetectable molecules within the final product molecule indicate that these molecules will not be generated in the actual target chemical process; that is, the chemical reactions that generate these molecules will not occur. Therefore, these molecules and their corresponding chemical reactions can be removed, thereby reducing redundant chemical reaction information included in the complete chemical reaction network. This improves the efficiency of acquiring information from the chemical reaction network and increases the speed of computation in subsequent practical applications or analytical processes.

[0125] The method provided in this application obtains a kinetic model of a chemical reaction network, selects a candidate chemical reaction network from multiple candidate chemical reaction networks based on the characteristics of the reaction products, and uses this candidate chemical reaction network as the target chemical reaction network. Furthermore, it simplifies the target chemical reaction network based on whether it is consistent with the complete chemical reaction network, thereby simplifying the complete chemical reaction network, improving the efficiency of obtaining the information included in the chemical reaction network, and increasing the speed at which the network participates in calculations in subsequent practical applications or analysis processes.

[0126] The following section provides a detailed explanation of how, in step S102, the complete chemical reaction network for executing the target chemical process from the target raw materials is obtained based on the molecular structure of the detectable molecules of the reactants and the preset reaction rules. Figure 5 This is a schematic flowchart illustrating another chemical reaction network processing method provided in an embodiment of this application. Figure 5 As shown, step S102 may include:

[0127] S501. Based on the detectable molecules of the reactants, obtain an initial list of molecules and the reaction rules corresponding to the detectable molecules of the reactants.

[0128] The initial molecular list includes detectable molecules of the reactant, and the reaction rule is a list of possible chemical reaction rules corresponding to the molecular structure of the detectable molecules of the reactant. For example, when the target feedstock is naphtha, the reactant is a substance that will undergo a chemical reaction with naphtha in the target chemical process. The chemical reaction rule could be, for example, isomerization, cracking, cyclization, ring-opening, etc.

[0129] S502. Based on the detectable molecules of the reactants in the initial molecular list, traverse the reaction rules corresponding to the detectable molecules of the reactants to generate new molecules until no more new molecules are generated.

[0130] The new molecule differs from those in the initial molecule list. This new molecule can be, for example, a detectable molecule of a reactant from the initial molecule list, forming a product molecule under the reaction rule, or an intermediate reactant molecule. For instance, a detectable molecule of a reactant from the initial molecule list generates a first intermediate reactant molecule according to the reaction rule; this first intermediate reactant molecule generates a second intermediate reactant molecule according to the reaction rule; and this second intermediate reactant molecule generates a product molecule according to the reaction rule. It should be understood that the number of intermediate reactants can be determined based on actual circumstances; this example only illustrates the generation of intermediate reactants twice.

[0131] When no new molecules are generated in the reaction environment, it means that the detectable molecules of the reactants in the initial molecule list have completed all possible chemical reactions under the reaction rules.

[0132] S503. Based on all chemical reactions and all molecules in the traversal process, generate the complete chemical reaction network.

[0133] All chemical reactions and molecules that occur during the traversal process are recorded. These chemical reactions may include, for example, reactions in which reactant molecules generate product molecules, reactions in which intermediate reactant molecules generate other intermediate reactant molecules, and reactions in which intermediate reactant molecules generate product molecules. The "all molecules" may include all molecules from the aforementioned chemical reactions.

[0134] Construct a complete chemical reaction network based on all chemical reactions and all molecules, where the list of molecules in the complete chemical reaction network includes all molecules and the list of chemical reactions includes all chemical reactions.

[0135] The following example, using naphtha catalytic reforming, illustrates the chemical reaction network processing method involved in the embodiments of this application. Figure 6 This is a schematic diagram of a reaction apparatus for a naphtha catalytic reforming process provided in an embodiment of this application. Figure 6 As shown, the device may include four reactors performing a semi-regenerative catalytic reforming process. This process uses naphtha as the target feedstock and produces high-octane gasoline. The naphtha stream and hydrogen stream are mixed at the furnace inlet and heated to 755 K. The mixture stream enters the reactor from the top to undergo the catalytic reforming reaction, and the product is obtained at the bottom of the reactor. After passing through four reactors in sequence, the product is sent to a separation tower, from which the gasoline fraction is obtained.

[0136] Figure 7 This is a schematic flowchart illustrating a chemical reaction network processing method for naphtha catalytic reforming, provided as an embodiment of this application. Figure 7 As shown, the method may include:

[0137] S701. Obtain detectable molecules from the reactants and products of naphtha undergoing catalytic reforming.

[0138] In this process, detectable molecules of the reactants are obtained by detecting the inlet of the reactor, and detectable molecules of the products are obtained by detecting the outlet of the reactor. In this example, 112 detectable molecules can be obtained, including cycloalkanes and aromatic hydrocarbons. Figure 8 This is a schematic diagram illustrating the distribution of detectable molecules according to the number of carbon atoms in the molecules, provided as an embodiment of this application. The distribution of detectable molecules can be referenced in this diagram. Figure 8 .

[0139] S702. Obtain the preset reaction rules corresponding to the catalytic reforming process of naphtha.

[0140] Figure 9 This is a schematic diagram illustrating a preset reaction rule provided in an embodiment of this application. The preset reaction rule can be, for example, as follows: Figure 9As shown, the reaction rules include four main categories: isomerization, hydrogenation and dehydrogenation, cracking, and cyclization and ring-opening. These four categories contain 19 subcategories of reaction rules. The naphtha undergoes a catalytic reforming process, and the reactants can undergo chemical reactions according to these 19 subcategories.

[0141] S703. Input the detectable molecules of the reactants and the preset reaction rules into the chemical reaction network automatic generation algorithm to obtain the complete chemical reaction network for naphtha to perform catalytic reforming.

[0142] Figure 10 This is a flowchart illustrating an automatic chemical reaction network generation algorithm provided in an embodiment of this application. Figure 10 As shown, the algorithm may include:

[0143] S7031. Input the list of reactant molecules, including detectable reactant molecules, into the molecule list of the initial reaction network, and input the preset reaction rules into the reaction rules of the initial reaction network.

[0144] S7032. Molecules in the molecule list traverse the reaction rules to obtain a new list of reaction and product molecules. Based on the comparison between the product molecule list and the molecule list, the newly obtained molecules are determined. In the chemical reaction chain, the number of times a reactant molecule undergoes a chemical reaction according to the reaction rules is represented by molecular distance. For example, the molecular distance between the new molecule (undetectable molecule) obtained from the first traversal of the reaction rules in the molecule list and the molecule (detectable molecule) in the molecule list is 1.

[0145] S7033. Update the molecule list with the new molecule, and update the reaction list with the chemical reaction that generates the new molecule. Repeat this process until no new molecules are generated. The new molecule list includes the molecules in the molecule list from step S7032, as well as the new molecule. A molecule in the molecule list, after one reaction, yields a new molecule. This new molecule continues to react according to the reaction rules to generate other new molecules (undetectable molecules). The molecular distance between these other new molecules and the molecules in the molecule list from step S7032 is 2. That is, as shown... Figure 10 As shown on the right, the molecular distance between detectable molecules is 0, and the molecular distance between a detectable molecule and an undetectable molecule is determined by the number of reactions between the undetectable molecule and the detectable molecule.

[0146] S7034. When no new molecules are generated, a complete chemical reaction network is generated based on the final reaction list and the final molecule list. A schematic diagram of this complete chemical reaction network can be shown, for example, as follows: Figure 11 As shown.

[0147] S704. Based on the number of reactions between multiple detectable and undetectable molecules in the complete chemical reaction network, obtain multiple candidate chemical reaction networks corresponding to the number of reactions.

[0148] This involves obtaining multiple candidate chemical reaction networks corresponding to the molecular distances between multiple detectable and undetectable molecules in a complete chemical reaction network. A schematic diagram of the structure of such a candidate chemical reaction network can be shown as follows: Figure 12 As shown.

[0149] S705. Obtain the kinetic model of the complete chemical reaction network, and the kinetic model of each candidate chemical reaction network corresponding to the number of reactions.

[0150] S706. Obtain the chemical reaction product characteristics of the complete chemical reaction network based on the kinetic model of the complete chemical reaction network, and obtain the chemical reaction product characteristics of each candidate chemical reaction network based on the kinetic model of each candidate chemical reaction network.

[0151] The method for obtaining the chemical reaction product characteristics of the chemical reaction network is shown in step S3021, and will not be repeated here.

[0152] S707. Based on the chemical reaction product characteristics of the complete chemical reaction network and the chemical reaction product characteristics of each candidate chemical reaction network, determine the target chemical reaction network.

[0153] The candidate chemical reaction network whose chemical reaction product characteristics are closest to those of the complete chemical reaction network is selected as the target chemical reaction network. For example, the chemical reaction product characteristics of the complete chemical reaction network may include, for example, distillation results, product distribution, chemical reaction temperature distribution of the products, mass distribution of benzene compounds, and mass distribution of the relative molecular weight of substances.

[0154] For example, Figure 13 This is a comparison chart of distillation results provided in an embodiment of this application. Wherein, the... Figures 13-17 In the diagram, straight lines represent the calculation results of the complete chemical reaction network, while circles represent the calculation results of the target chemical reaction network.

[0155] For example, Figure 14 A comparative diagram showing the distribution of hydrocarbon products provided in an embodiment of this application.

[0156] For example, Figure 15 A comparative diagram of the temperature distribution of a chemical reaction provided in an embodiment of this application.

[0157] For example, Figure 16 A comparative diagram showing the mass distribution of a benzene-based substance provided in an embodiment of this application.

[0158] For example, Figure 17 A comparative diagram of the relative molecular weight distribution of a substance provided in an embodiment of this application.

[0159] Through the above Figures 13-17 It can be determined that the chemical reaction product characteristics of the target chemical reaction network are basically consistent with those of the complete chemical reaction network. Therefore, the target chemical reaction network can replace the complete chemical reaction network.

[0160] S708, Output the target chemical reaction network.

[0161] This target chemical reaction network can be used to simulate the catalytic reforming process of naphtha in actual production, thereby providing production guidance and verification for the actual production process of naphtha undergoing catalytic reforming. Because this target chemical reaction network is a simplification of the complete chemical reaction network, the computational speed of the chemical reaction network can be improved while maintaining computational accuracy.

[0162] Figure 18 This is a schematic diagram of a chemical reaction network processing device provided in an embodiment of this application. Figure 18 As shown, the device may include: a first acquisition module 11, a processing module 12, a second acquisition module 13, and a determination module 14.

[0163] The first acquisition module 11 is used to acquire detectable molecules detected in the reactants and products of the target raw material in the target chemical process.

[0164] Processing module 12 is used to obtain the complete chemical reaction network for the target chemical process of the target raw material based on the molecular structure of the detectable molecules of the reactants and a preset reaction rule. This reaction rule is used to characterize the product molecular structure inferred from the molecular structure of the reactants.

[0165] The second acquisition module 13 is used to acquire candidate chemical reaction networks corresponding to each reaction number in the complete chemical reaction network, based on the number of reactions between detectable and undetectable molecules in the complete chemical reaction network. These candidate chemical reaction networks are used to describe the chemical reactions corresponding to the current reaction number and previous reaction numbers.

[0166] The determination module 14 is used to determine the target chemical reaction network for performing the target chemical process on the target raw material from among multiple candidate chemical reaction networks.

[0167] In one possible implementation, the second acquisition module 13 is specifically used to determine the chemical reaction corresponding to each reaction number from the complete chemical reaction network based on the different reaction numbers between detectable and undetectable molecules in the complete chemical reaction network, and the reaction screening rules corresponding to each reaction number. Based on the chemical reaction corresponding to each reaction number, and the molecules in the chemical reaction being stored in an empty chemical reaction network, a candidate chemical reaction network corresponding to each reaction number is obtained. The reaction screening rules include: chemical reactions corresponding to molecules of intermediate reactants whose reaction number with the detectable molecule does not exceed a preset number, and chemical reactions corresponding to product molecules including detectable molecules and / or transition molecules. The intermediate reactant is an intermediate product in the chemical reaction chain. The reactant molecule of the transition molecule, and the product molecule generated by the transition molecule, are all molecules of the detectable molecule; the reactant of the transition molecule is the reactant, or the intermediate reactant.

[0168] In one possible implementation, module 13 is specifically used to obtain the kinetic model of the complete chemical reaction network and the kinetic models of multiple candidate chemical reaction networks. Based on the kinetic model of the complete chemical reaction network and the kinetic models of the multiple candidate chemical reaction networks, the target chemical reaction network for the target raw material to perform the target chemical process is determined from the multiple candidate chemical reaction networks.

[0169] In this implementation, module 13 is specifically used to obtain the chemical reaction product characteristics in the complete chemical reaction network based on the kinetic model of the complete chemical reaction network. Based on the kinetic models of the multiple candidate chemical reaction networks, the chemical reaction product characteristics in the multiple candidate chemical reaction networks are obtained. Candidate chemical reaction networks whose chemical reaction product characteristics are similar to those in the complete chemical reaction network are identified as target chemical reaction networks.

[0170] Specifically, module 13 is used to obtain the reaction rate of each chemical reaction in the complete chemical reaction network based on the kinetic model of the complete chemical reaction network. Based on the reaction rate of each chemical reaction, the characteristics of the chemical reaction products corresponding to the complete chemical reaction network are determined.

[0171] In any of the above implementations, the processing module 12 is further configured to determine whether the target chemical reaction network is consistent with the complete chemical reaction network. If they are consistent, then the undetectable molecules in the final product molecules of the target chemical reaction network are deleted, and the chemical reaction that generates the undetectable molecules in the final product molecules is performed.

[0172] In any of the above implementations, the processing module 12 is specifically used to obtain an initial molecule list and reaction rules corresponding to the detectable molecules of the reactant, based on the detectable molecules of the reactant in the initial molecule list. Based on the detectable molecules of the reactant in the initial molecule list, the reaction rules corresponding to the detectable molecules of the reactant are traversed to generate new molecules until no more new molecules are generated. Based on all chemical reactions and all molecules during the traversal process, the complete chemical reaction network is generated. The new molecules are different from the molecules in the initial molecule list.

[0173] The chemical reaction network processing device provided in this application embodiment can perform the actions of the terminal device with data processing function in the above method embodiment. Its implementation principle and technical effect are similar, and will not be described again here.

[0174] Figure 19 This is a schematic diagram of an electronic device provided in an embodiment of this application. The electronic device is used to execute the aforementioned system configuration method, and may be, for example, the aforementioned electronic device deployed with a data processing platform. Figure 19 As shown, the electronic device 1900 may include at least one processor 1901, a memory 1902, and a communication interface 1903.

[0175] The memory 1902 is used to store programs. Specifically, the program may include program code, which includes computer operation instructions.

[0176] The memory 1902 may include high-speed RAM memory, and may also include non-volatile memory, such as at least one disk storage device.

[0177] Processor 1901 is used to execute computer execution instructions stored in memory 1902 to implement the methods described in the foregoing method embodiments. Processor 1901 may be a CPU, an Application Specific Integrated Circuit (ASIC), or one or more integrated circuits configured to implement the embodiments of this application.

[0178] The processor 1901 can communicate and interact with external devices through the communication interface 1903. These external devices can be, for example, the aforementioned testing instruments or databases. In specific implementations, if the communication interface 1903, memory 1902, and processor 1901 are implemented independently, they can be interconnected via a bus to complete communication. The bus can be an Industry Standard Architecture (ISA) bus, a Peripheral Component Interconnect (PCI) bus, or an Extended Industry Standard Architecture (EISA) bus, etc. Buses can be categorized as address buses, data buses, control buses, etc., but this does not imply that there is only one bus or one type of bus.

[0179] Optionally, in a specific implementation, if the communication interface 1903, memory 1902, and processor 1901 are integrated on a single chip, then the communication interface 1903, memory 1902, and processor 1901 can communicate through an internal interface.

[0180] This application also provides a computer-readable storage medium, which may include various media capable of storing program code, such as a USB flash drive, a portable hard drive, a read-only memory (ROM), a random access memory (RAM), a magnetic disk, or an optical disk. Specifically, the computer-readable storage medium stores program instructions, which are used in the methods described in the above embodiments.

[0181] This application also provides a program product including executable instructions stored in a readable storage medium. At least one processor of a computing device can read the executable instructions from the readable storage medium, and the at least one processor executes the executable instructions to cause the computing device to implement the above-described chemical reaction network processing method.

[0182] Finally, it should be noted that the above embodiments are only used to illustrate the technical solutions of this application, and are not intended to limit them. Although this application has been described in detail with reference to the foregoing embodiments, those skilled in the art should understand that modifications can still be made to the technical solutions described in the foregoing embodiments, or equivalent substitutions can be made to some or all of the technical features therein. Such modifications or substitutions do not cause the essence of the corresponding technical solutions to deviate from the scope of the technical solutions of the embodiments of this application.

Claims

1. A method for processing chemical reaction networks, characterized in that, include: To obtain detectable molecules from the reactants and products of the target raw materials used in the target chemical process; Based on the molecular structure of detectable molecules of the reactants and the preset reaction rules, the complete chemical reaction network for the target raw material to perform the target chemical process is obtained; the reaction rules are used to characterize the product molecular structure inferred from the molecular structure of the reactants. Based on the different number of reactions between detectable and undetectable molecules in the complete chemical reaction network, and the reaction screening rules corresponding to each number of reactions, chemical reactions corresponding to each number of reactions are determined from the complete chemical reaction network; the reaction screening rules include: chemical reactions corresponding to molecules of intermediate reactants whose number of reactions with the detectable molecules does not exceed a preset number, and chemical reactions corresponding to the detectable molecules; the intermediate reactants are intermediate products in the chemical reaction chain; The chemical reaction corresponding to each reaction number, along with the molecules in that chemical reaction, is stored in an empty chemical reaction network to obtain a candidate chemical reaction network for each reaction number; the candidate chemical reaction network is used to describe the chemical reactions corresponding to the current reaction number and previous reaction numbers. The target chemical reaction network for performing the target chemical process on the target raw material is determined from a plurality of candidate chemical reaction networks.

2. The method according to claim 1, characterized in that, The step of determining the target chemical reaction network for performing the target chemical process on the target raw material from a plurality of candidate chemical reaction networks includes: Obtain the kinetic model of the complete chemical reaction network, as well as the kinetic models of the multiple candidate chemical reaction networks; Based on the kinetic model of the complete chemical reaction network and the kinetic models of the multiple candidate chemical reaction networks, the target chemical reaction network for the target raw material to perform the target chemical process is determined from the multiple candidate chemical reaction networks.

3. The method according to claim 2, characterized in that, The step of determining the target chemical reaction network for the target raw material to perform the target chemical process from among the multiple candidate chemical reaction networks, based on the kinetic model of the complete chemical reaction network and the kinetic models of the multiple candidate chemical reaction networks, includes: Based on the kinetic model of the complete chemical reaction network, the characteristics of the chemical reaction products in the complete chemical reaction network are obtained; Based on the kinetic models of the multiple candidate chemical reaction networks, the characteristics of the chemical reaction products in the multiple candidate chemical reaction networks are obtained; Candidate chemical reaction networks whose chemical reaction product characteristics are similar to those in the complete chemical reaction network are identified as target chemical reaction networks.

4. The method according to claim 3, characterized in that, The step of obtaining the characteristics of chemical reaction products in the complete chemical reaction network based on the kinetic model of the complete chemical reaction network includes: Based on the kinetic model of the complete chemical reaction network, the reaction rate of each chemical reaction in the complete chemical reaction network is obtained; Based on the reaction rate of each chemical reaction, the characteristics of the chemical reaction products corresponding to the complete chemical reaction network are determined.

5. The method according to any one of claims 1-4, characterized in that, Also includes: Determine whether the target chemical reaction network is consistent with the complete chemical reaction network; If they match, then remove the undetectable molecules from the final product molecules in the target chemical reaction network, as well as the chemical reaction that generates the undetectable molecules from the final product molecules.

6. The method according to any one of claims 1-4, characterized in that, The process of obtaining the complete chemical reaction network for the target chemical process from the target raw material, based on the molecular structure of detectable molecules of the reactants and a preset reaction rule, includes: Based on the detectable molecules of the reactants, an initial list of molecules is obtained, as well as the reaction rules corresponding to the detectable molecules of the reactants; Based on the detectable molecules of the reactants in the initial molecular list, the reaction rules corresponding to the detectable molecules of the reactants are traversed to generate new molecules until no new molecules are generated; the new molecules are different from the molecules in the initial molecular list. Based on all chemical reactions and all molecules in the traversal process, the complete chemical reaction network is generated.

7. A chemical reaction network processing device, characterized in that, include: The first acquisition module is used to acquire detectable molecules detected in the reactants and products of the target chemical process performed on the target raw materials; The processing module is used to obtain the complete chemical reaction network for the target chemical process of the target raw material based on the molecular structure of the detectable molecules of the reactants and the preset reaction rules; the reaction rules are used to characterize the product molecular structure inferred from the molecular structure of the reactants. The second acquisition module is used to determine the chemical reaction corresponding to each reaction number from the complete chemical reaction network based on the different reaction numbers between detectable and undetectable molecules in the complete chemical reaction network, and the reaction screening rules corresponding to each reaction number; the reaction screening rules include: chemical reactions corresponding to molecules of intermediate reactants whose reaction number with the detectable molecules does not exceed a preset number, and chemical reactions corresponding to the detectable molecules; the intermediate reactants are intermediate products in the chemical reaction chain; the chemical reaction corresponding to each reaction number, and the molecules in the chemical reaction are stored in an empty chemical reaction network to obtain a candidate chemical reaction network corresponding to each reaction number; the candidate chemical reaction network is used to describe the chemical reactions corresponding to the current reaction number and the previous reaction numbers; A determination module is used to determine, from a plurality of candidate chemical reaction networks, the target chemical reaction network for performing the target chemical process on the target raw material.

8. An electronic device, characterized in that, include: The processor includes a communication interface and a memory, wherein the processor is communicatively connected to the communication interface and the memory, respectively. The memory stores computer-executed instructions; The communication interface communicates and interacts with external devices. The processor executes computer execution instructions stored in the memory to implement the method as described in any one of claims 1-6.

9. A computer-readable storage medium, characterized in that, The computer-readable storage medium stores computer-executable instructions, which, when executed by a processor, are used to implement the chemical reaction network processing method as described in any one of claims 1 to 6.

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