Chemical looping hydrogen production process simulation method, apparatus, device, and storage medium

Abstract

The application discloses a chemical ring hydrogen production process simulation method, device, equipment and a storage medium, wherein the method comprises the following steps: constructing a process flow model based on a commercial process simulation software; constructing a reactor mechanism model of each reactor respectively; embedding the reactor mechanism model into the commercial process simulation software through a communication interface; acquiring process simulation parameter data of an inlet stream of each reactor in the process flow model through the communication interface; generating product physical property data according to the process simulation parameter data and corresponding reaction kinetics parameter data by the reactor mechanism model; and returning the product physical property data to the corresponding reactor outlet stream in the process flow model. The application improves the optimization effect of process design and operating conditions of the chemical ring hydrogen production technology, and improves the practicability of the process simulation technology in the chemical ring hydrogen production technology industry.

Description

TECHNICAL FIELD

[0001] The present application relates to the field of hydrogen production processes, in particular to a chemical looping hydrogen production process simulation method, device, equipment and storage medium. BACKGROUND

[0002] Commercial process simulation software (such as Aspen Hysys and Aspen Plus) and the like as general process flow simulation software can guide and verify the process design and optimization of operating conditions of various process devices by simulating the whole process of various petrochemical process devices.

[0003] The chemical looping hydrogen production technology separates the oxidation reaction of fuel and the reduction reaction of water vapor by using different reactors, and only solid-state oxygen carriers are transmitted between the reactors, so that the carbon dioxide and hydrogen produced by the reaction are respectively discharged at the outlets of different reactors, and only water vapor is mixed in the discharged mixed gas, which can be purified and captured by condensation.

[0004] The inventors have found that the existing technology using commercial process simulation software to simulate the reactor of the chemical looping hydrogen production technology at least has the following defects:

[0005] The chemical looping hydrogen production process cannot be accurately simulated. SUMMARY

[0006] The main purpose of the present application is to accurately simulate the chemical looping hydrogen production process.

[0007] To achieve the above purpose, the present application discloses a chemical looping hydrogen production process simulation method, comprising:

[0008] S11, constructing a process flow model of the chemical looping hydrogen production device based on commercial process simulation software;

[0009] S12, respectively constructing reactor mechanism models of each reactor in the chemical looping hydrogen production device;

[0010] S13, embedding each reactor mechanism model into the commercial process simulation software by setting a communication interface for data interaction between each reactor mechanism model and the process simulation software;

[0011] S14, obtaining process simulation parameter data of each reactor inlet stream in the process flow model through the communication interface; each reactor mechanism model generates product property data according to the process simulation parameter data and corresponding reaction kinetics parameter data;

[0012] S15, returning the product property data to the corresponding reactor outlet stream in the process flow model through the communication interface.

[0013] Preferably, in the present application, the reactor mechanism model comprises;

[0014] the fuel reactor mechanism model, the steam reactor mechanism model and the air reactor mechanism model.

[0015] Preferably, in the present application, the process simulation parameter data comprises feedstock property parameter data and device operation parameter data;

[0016] The feedstock property parameter data comprises temperature, pressure and molar flow rate of the inlet stream of each reactor in the process flow model.

[0017] Preferably, in the present application, the reactor mechanism model adopts an axial dispersion model to model each reactor;

[0018] The axial dispersion model equation comprises:

[0019]

[0020] wherein C i is the concentration of the i-th component, the left side of the equation is the transient term, which represents the difference in concentration of the i-th component between the microelement and the microelement downstream per unit time; the first term on the right side is the diffusion term, D e is the axial dispersion coefficient, Z is the axial position, which represents the diffusion of the component concentration along the axial direction; the second term is the convection term, u is the fluid velocity, which represents the degree of back mixing of the component along the axial direction per unit microelement; A i , E ai are chemical reaction kinetic parameters, which are the pre-exponential factor and the activation energy of the i-th reaction, respectively.

[0021] Preferably, in the present application, the communication interface is configured to read the process simulation parameter data of the inlet stream of each reactor in the process flow model, and to return the product property data calculated by solving each reactor mechanism model to the corresponding outlet stream of the reactor in the process flow model.

[0022] Preferably, in the present application, the solving process of the reactor mechanism model comprises:

[0023] acquiring the process simulation parameter data of the inlet stream of the reactor corresponding to the reactor mechanism model in the process flow model, and the corresponding reaction kinetic parameter data;

[0024] using the feedstock property data and the reaction kinetic parameter data as input, and solving the partial differential equation by using the finite volume method according to the axial dispersion model equation to perform approximate solving calculation;

[0025] determining whether the solving result converges; if not, resetting the initial simulation parameter data of the process flow model and the corresponding reaction kinetics parameter data and returning to step S14;

[0026] if yes, taking the solving result as the calculation result for returning to the corresponding reactor outlet stream in the process flow model.

[0027] Preferably, in the present application, the commercial process simulation software includes:

[0028] Aspen Hysys or Aspen Plus.

[0029] Preferably, in the present application, the communication interface for setting each reactor mechanism model to interact with the data of the process simulation software includes:

[0030] using Python programming language to build the fuel reactor mechanism model, the steam reactor mechanism model and the air reactor mechanism model;

[0031] creating a data communication interface containing a DLL file in Aspen Hysys; each reactor mechanism model and Aspen Hysys can directly communicate through a COM port.

[0032] In another aspect of the present application, a chemical ring hydrogen production process simulation device is also provided, comprising:

[0033] a process flow model generation unit for building a process flow model of the chemical ring hydrogen production device based on a commercial process simulation software;

[0034] a mechanism model generation unit for building a reactor mechanism model of each reactor in the chemical ring hydrogen production device respectively;

[0035] a model embedding unit for embedding each reactor mechanism model into the commercial process simulation software by setting a communication interface for each reactor mechanism model to interact with the data of the process simulation software;

[0036] a mechanism simulation unit for obtaining process simulation parameter data of each reactor inlet stream in the process flow model through the communication interface; each reactor mechanism model generates product property data according to the process simulation parameter data and the corresponding reaction kinetics parameter data;

[0037] a data returning unit for returning the product property data to the corresponding reactor outlet stream in the process flow model through the communication interface.

[0038] In another aspect of the present application, a chemical ring hydrogen production process simulation device is also provided, comprising:

[0039] a memory for storing a computer program;

[0040] a processor for invoking and executing the computer program to implement the steps of the chemical looping hydrogen production process simulation method according to any one of the above.

[0041] In another aspect of the embodiments of the present application, a storage medium having a computer program stored thereon is also provided, and the computer program, when executed by a processor, implements the steps of the chemical looping hydrogen production process simulation method according to any one of the above.

[0042] Advantages

[0043] In the present application, on the one hand, a process flow model of a chemical looping hydrogen production device is constructed based on an existing commercial process simulation software; on the other hand, a reactor mechanism model of each main reactor in the chemical looping hydrogen production device is also constructed; then, process simulation parameter data of an inlet stream of each main reactor in the process flow model is obtained through a set communication interface; each reactor mechanism model takes the corresponding process simulation parameter data as input, and generates corresponding product property data in combination with its reaction kinetics parameter data; then, the product property data is returned to the process flow model as an outlet stream of the corresponding reactor in the process flow model; in this way, accurate simulation of the chemical looping hydrogen production process of the chemical looping hydrogen production device can be obtained through the process flow model.

[0044] As can be seen from the above, through the present application, accurate simulation of the chemical looping hydrogen production process can be achieved even in the case that the commercial process simulation software lacks a suitable reactor model; and in turn, the process design and optimization of operating conditions of the chemical looping hydrogen production technology are improved, and the practicality of the process simulation technology in the chemical looping hydrogen production technology industry is improved.

[0045] The above description is only a summary of the technical solutions of the present application. In order to more clearly understand the technical means of the present application and can be implemented according to the content of the specification, at the same time, in order to make the above and other purposes, technical features and advantages of the present application more easily understood, one or more preferred embodiments are listed below, and are described in detail as follows with reference to the accompanying drawings. BRIEF DESCRIPTION OF DRAWINGS

[0046] In order to more clearly illustrate the technical solutions of the embodiments of the present application or the prior art, the following will briefly introduce the drawings needed to be used in the embodiment or prior art description. Obviously, the drawings in the following description are only some embodiments described in the present application, and for those skilled in the art, other drawings can also be obtained without creative labor on the basis of these drawings.

[0047] Figure 1A schematic diagram of steps of the chemical-looping hydrogen production process simulation method described in the present application;

[0048] Figure 2 A structural schematic diagram of the chemical-looping hydrogen production process simulation device described in the present application;

[0049] Figure 3 A structural schematic diagram of the chemical-looping hydrogen production process simulation device described in the present application. DETAILED DESCRIPTION

[0050] The specific embodiments of the present application will be described in detail below with reference to the accompanying drawings, but it should be understood that the scope of protection of the present application is not limited by the specific embodiments.

[0051] Unless otherwise explicitly stated, throughout the specification and claims, the term "comprise" or its variants such as "comprises" or "comprising" will be understood to encompass the stated element or elements, but not to exclude other elements or other components.

[0052] In this document, the terms "first", "second", and the like are used to distinguish between two different elements or parts, and are not used to define a particular position or relative relationship. In other words, in some embodiments, the terms "first", "second", and the like can be interchanged with each other.

[0053] Example One

[0054] In order to accurately simulate the chemical-looping hydrogen production process of the chemical-looping hydrogen production device, reference is made to Figure 1 The embodiments of the present application provide a chemical-looping hydrogen production process simulation method, comprising:

[0055] S11, based on a commercial process simulation software, a process flow model of the chemical-looping hydrogen production device is constructed;

[0056] Chemical-looping hydrogen production technology is a new technology, and its working principle includes: in the chemical-looping hydrogen production device, by using different reactors, the oxidation reaction of fuel and the reduction reaction of water vapor are isolated, and only solid oxygen carriers are transmitted between the reactors, so that the carbon dioxide and hydrogen produced by the reaction are respectively discharged at the outlets of different reactors, and only water vapor is mixed in the discharged mixed gas, which can be purified and captured by condensation only, and will become an important technology to replace the existing hydrogen production method.

[0057] The existing commercial process simulation software can realize the process flow model of the chemical-looping hydrogen production device, but since the commercial process simulation software lacks suitable reactor models, its simulation effect is poor, and it is difficult to effectively guide the process design and optimization of operating conditions of the chemical-looping hydrogen production technology through the process flow model.

[0058] S12, respectively, construct a reactor mechanism model of each reactor in the chemical loop hydrogen production device;

[0059] In order to improve the accuracy and practicability of the above process flow model, and to improve the optimization effect of the process design and operating conditions of the improved chemical loop hydrogen production technology, in the embodiment of the present application, a reactor mechanism model of each main reactor in the chemical loop hydrogen production device is also constructed; in actual application, the reactor mechanism model in the embodiment of the present application can specifically include a fuel reactor mechanism model, a steam reactor mechanism model and an air reactor mechanism model.

[0060] In the embodiment of the present application, a reactor mechanism model suitable for the chemical loop hydrogen production technology is established, specifically, the reactor suitable for the chemical loop hydrogen production technology is a fluidized bed or a moving bed, the mass transfer process of the reactants in the reactor is between plug flow and complete mixing flow, the total displacement of the reactants along the axial direction is the sum of each infinitesimal displacement, and each infinitesimal displacement is affected by the diffusion and convection of each component; therefore, preferably, the reactor mechanism model in the embodiment of the present application can adopt an axial diffusion model to model each reactor, wherein the axial diffusion model equation can specifically include:

[0061]

[0062] Wherein, C i is the concentration of the i th component, the left side of the equation is the instantaneous term, and the concentration difference between the reactants entering and leaving the infinitesimal element per unit time is reacted; the first term on the right side is the diffusion term, D e is the axial dispersion coefficient, Z is the axial position, and the concentration of the component is diffused; the second term is the convection term, u is the fluid velocity, and the degree of back mixing of the component along the axial direction in the unit infinitesimal element is reacted; A i , E ai are chemical reaction kinetics parameters, and A

[0063] S13, by setting a communication interface for data interaction between each reactor mechanism model and the process simulation software, embedding each reactor mechanism model into the commercial process simulation software;

[0064] The commercial process simulation software in the embodiment of the present application can be Aspen Hysys or Aspen Plus.

[0065] When the commercial process simulation software is Aspen Hysys, setting a communication interface for data interaction between each reactor mechanism model and the process simulation software can include:

[0066] After constructing the fuel reactor mechanism model, the steam reactor mechanism model and the air reactor mechanism model by using the Python programming language, a data communication interface containing a DLL file is created in Aspen Hysys; the reactor mechanism model and Aspen Hysys can directly communicate through the COM port.

[0067] S14, obtaining the process simulation parameter data of the reactor inlet stream in the process flow model through the communication interface; the product property data is generated by the reactor mechanism model according to the process simulation parameter data and the corresponding reaction kinetics parameter data;

[0068] The communication interface in the embodiment of the present application is used to read the process simulation parameter data of the reactor inlet stream in the process flow model, and the product property data calculated and solved by the reactor mechanism model is returned to the corresponding reactor outlet stream in the process flow model.

[0069] In the embodiment of the present application, the full process simulation of the chemical ring hydrogen production device is realized by the process flow model and the reactor mechanism model; wherein, the initial simulation parameter data as the input of the process flow model needs to be set.

[0070] The process flow model in the embodiment of the present application includes the reactor flow model corresponding to the reactor mechanism model (i.e., the fuel reactor mechanism model, the steam reactor mechanism model and the air reactor mechanism model); through the communication interface, the process simulation parameter data of the reactor inlet stream input into the reactor flow model in the process flow model can be obtained respectively; the process simulation parameter data or the initial simulation parameter data in the embodiment of the present application can include the raw material property parameter data and the device operation parameter data; wherein, the raw material property parameter data can include one or more of the temperature, the pressure and the molar flow of the reactor inlet stream in the process flow model; the device operation parameter can include one or more of the temperature rise / drop and the pressure rise / drop.

[0071] The reactor mechanism model can obtain the process simulation parameter data of the reactor inlet stream of the corresponding reactor flow model; and the corresponding reaction kinetics parameter data;

[0072] The raw material property data and the reaction kinetics parameter data are input, and the partial differential equation is approximately solved and calculated by using the finite volume method according to the axial diffusion model equation;

[0073] It is judged whether the solving result converges or not; if not, the initial simulation parameter data of the process flow model and the corresponding reaction kinetics parameter data of the reactor mechanism model are reset, and the step S14 is returned;

[0074] If yes, the solution result is returned as the calculation result of the corresponding reactor outlet stream in the process flow model.

[0075] S15, return the product property data to the corresponding reactor outlet stream in the process flow model through the communication interface.

[0076] In the embodiment of the present application, each reactor mechanism model can generate more accurate simulation results of each reactor in the chemical loop hydrogen production plant as an auxiliary operation module; by taking these accurate simulation results as the alternative intermediate data in the process flow model, the simulation effect of the process flow model on the chemical loop hydrogen production process of the chemical loop hydrogen production plant can be effectively improved.

[0077] To sum up, in the embodiment of the present application, on the one hand, a process flow model of the chemical loop hydrogen production plant is constructed based on the existing commercial process simulation software; on the other hand, reactor mechanism models of each main reactor in the chemical loop hydrogen production plant are also constructed; then, the process simulation parameter data of each main reactor inlet stream in the process flow model are obtained through the set communication interface; each reactor mechanism model takes the corresponding process simulation parameter data as input, and generates corresponding product property data in combination with its reaction kinetics parameter data; then, the product property data is returned to the process flow model as the corresponding reactor outlet stream in the process flow model; in this way, the accurate simulation of the chemical loop hydrogen production process of the chemical loop hydrogen production plant can be obtained through the process flow model.

[0078] As can be seen from the above, through the embodiment of the present application, the accurate simulation of the chemical loop hydrogen production process can be realized even if the commercial process simulation software lacks suitable reactor models; and the optimization effect of process design and operating conditions of the chemical loop hydrogen production technology is improved, and the practicality of the process simulation technology in the chemical loop hydrogen production technology industry is improved.

[0079] Embodiment two

[0080] Corresponding to the method embodiment, on the other side of the embodiment of the present application, a chemical loop hydrogen production process simulation device is also provided, Figure 2 The structure schematic diagram of the chemical loop hydrogen production process simulation device provided by the embodiment of the present application is shown, and the chemical loop hydrogen production process simulation device is a device corresponding to the Figure 1 The device corresponding to the chemical loop hydrogen production process simulation method in the corresponding embodiment, that is, the chemical loop hydrogen production process simulation device is realized in the form of a virtual device Figure 1 The chemical loop hydrogen production process simulation method in the corresponding embodiment, each virtual module constituting the chemical loop hydrogen production process simulation device can be executed by an electronic device, such as a network device, a terminal device or a server. Specifically, the chemical loop hydrogen production process simulation device in the embodiment of the present application comprises:

[0081] A process flow model generation unit 01 is configured to construct a process flow model of the chemical-looping hydrogen production device based on a commercial process simulation software;

[0082] A mechanism model generation unit 02 is configured to construct a reactor mechanism model of each reactor in the chemical-looping hydrogen production device, respectively;

[0083] A model embedding unit 03 is configured to embed each reactor mechanism model into the commercial process simulation software by setting a communication interface for each reactor mechanism model to interact with the process simulation software data;

[0084] A mechanism simulation unit 04 is configured to obtain process simulation parameter data of an inlet stream of each reactor in the process flow model through the communication interface; and each reactor mechanism model generates product property data according to the process simulation parameter data and corresponding reaction kinetics parameter data;

[0085] A data feedback unit 05 is configured to feed back the product property data to a corresponding reactor outlet stream in the process flow model through the communication interface.

[0086] It should be noted that the specific implementation manner and technical effects of the chemical-looping hydrogen production process simulation device in the embodiments of the present application can refer to the chemical-looping hydrogen production process simulation method corresponding thereto, which will not be described here in detail. Figure 1 The corresponding chemical-looping hydrogen production process simulation method, which will not be described here in detail.

[0087] Embodiment Three

[0088] Corresponding to the method embodiments, the embodiments of the present application also provide a chemical-looping hydrogen production process simulation device, such as a terminal, a server, etc. The server can be a standalone physical server, a server cluster or a distributed system composed of multiple physical servers, or a cloud server providing cloud services, cloud databases, cloud computing, cloud functions, cloud storage, network services, cloud communication, middleware services, domain name services, security services, CDNs, and basic cloud computing services such as big data and artificial intelligence platforms. The terminal can be a smartphone, a tablet computer, a notebook computer, a desktop computer, etc., but is not limited thereto.

[0089] An example diagram of a hardware structure block diagram of the chemical-looping hydrogen production process simulation device provided by the embodiments of the present application is shown in FIG. 1, which can include: Figure 3

[0090] A processor 1, a communication interface 2, a memory 3, and a communication bus 4;

[0091] The processor 1, the communication interface 2, and the memory 3 can communicate with each other through the communication bus 4;

[0092] ​Optionally, the communication interface 2 can be an interface of a communication module, such as an interface of a GSM module.

[0093] The processor 1 can be a central processing unit (CPU), or an application specific integrated circuit (ASIC), or one or more integrated circuits configured to implement embodiments of the present application.

[0094] The memory 3 can include a high-speed RAM memory, and can also include a non-volatile memory, such as at least one disk memory.

[0095] The processor 1 is specifically configured to execute a computer program stored in the memory 3 to perform the following steps:

[0096] S11, constructing a process flow model of the chemical loop hydrogen production device based on a commercial process simulation software;

[0097] S12, respectively constructing reactor mechanism models of each reactor in the chemical loop hydrogen production device;

[0098] S13, embedding each reactor mechanism model into the commercial process simulation software by setting a communication interface for data interaction between each reactor mechanism model and the process simulation software;

[0099] S14, obtaining process simulation parameter data of an inlet stream of each reactor in the process flow model through the communication interface; each reactor mechanism model generates product property data according to the process simulation parameter data and corresponding reaction kinetics parameter data;

[0100] S15, returning the product property data to a corresponding outlet stream of the process flow model through the communication interface.

[0101] The above product can execute the method provided by the embodiments of the present application, and has the corresponding function modules and beneficial effects of the execution method. Technical details not described in detail in the embodiments can be referred to the chemical loop hydrogen production process simulation method provided by the embodiments of the present application.

[0102] Embodiment four

[0103] In the embodiments of the present application, a storage medium is also provided, which can store a program suitable for execution by a processor, and the program is used for:

[0104] S11, constructing a process flow model of the chemical loop hydrogen production device based on a commercial process simulation software;

[0105] S12, respectively constructing a reactor mechanism model of each reactor in the chemical ring hydrogen production device;

[0106] S13, embedding each reactor mechanism model into the commercial process simulation software by setting a communication interface of each reactor mechanism model and the process simulation software data interaction;

[0107] S14, obtaining process simulation parameter data of each reactor inlet stream in the process model through the communication interface; each reactor mechanism model generates product property data according to the process simulation parameter data and corresponding reaction kinetics parameter data;

[0108] S15, returning the product property data to the corresponding reactor outlet stream in the process model through the communication interface.

[0109] Optionally, the refinement function and the expansion function of the program can refer to the description above.

[0110] The above product can execute the method provided by the embodiment of the application, has the function module and the beneficial effect of executing the corresponding method. The technical details not described in detail in the embodiment can refer to the method provided by other embodiments of the application.

[0111] Those skilled in the art can appreciate that the units and algorithm steps of the examples described in combination with the embodiments disclosed herein can be realized by electronic hardware or a combination of computer software and electronic hardware. Whether the functions are realized in hardware or software mode depends on the specific application and design constraints of the technical solution. The skilled person can use different methods to realize the described functions for each specific application, but such implementation should not be considered beyond the scope of the present application.

[0112] In several embodiments provided in the present application, it should be understood that the disclosed system, device and method can be implemented in other ways. In addition, the coupling or direct coupling or communication connection between the displayed or discussed units can be indirect coupling or communication connection through some interfaces, devices or units, which can be electrical, mechanical or other forms.

[0113] The units described as separate components can or can not be physically separated, and the components displayed as units can or can not be physical units, that is, they can be located in one place, or they can be distributed on multiple network units. According to actual needs, some or all of the units can be selected to achieve the purpose of the embodiment.

[0114] In addition, each functional unit in the embodiments of the present application can be integrated in one processing unit, or each unit can exist physically, or two or more units can be integrated in one unit.

[0115] It should be understood that the features in the embodiments of the present application can be combined with each other, and all can achieve the solutions to the foregoing technical problems.

[0116] If the functions are realized in the form of software functional units and sold or used as independent products, they can be stored in a computer readable storage medium. Based on this understanding, the technical solutions of the present application or the part of the prior art that essentially contributes or the part of the technical solutions can be embodied in the form of a software product. The computer software product is stored in a storage medium and includes a plurality of instructions for causing a computer device (which can be a personal computer, a server, or a network device, etc.) to execute all or part of the steps of the method described in the embodiments of the present application. The foregoing storage medium includes a U disk, a mobile hard disk, a read-only memory (ROM, Read-Only Memory), a random access memory (RAM, Random Access Memory), a magnetic disk or an optical disk, and various media that can store program codes.

[0117] The above description of the disclosed embodiments enables a person skilled in the art to implement or use the present application. Various modifications to the embodiments will be apparent to those skilled in the art, and the general principles defined herein can be implemented in other embodiments without departing from the spirit or scope of the present application. Therefore, the present application will not be limited to the embodiments shown herein, but will conform to the widest scope consistent with the principles and novel features disclosed herein.

Claims

1. A method for simulating a chemically cyclic hydrogen production process, characterized in that, Including the following steps: S11. Construct a process flow model of the chemical ring hydrogen production unit based on commercial process simulation software; S12. Construct reactor mechanism models for each reactor in the chemical ring hydrogen production device; S13. By setting a communication interface for data interaction between each reactor mechanism model and the process simulation software, each reactor mechanism model is embedded into the commercial process simulation software. The communication interface is used to read the process simulation parameter data of each reactor inlet stream in the process flow model, and to send back the product physical property data calculated and solved by each reactor mechanism model to the corresponding reactor outlet stream in the process flow model. S14. Obtain process simulation parameter data of each reactor inlet stream in the process flow model through the communication interface; Each reactor mechanism model generates product physical property data based on the process simulation parameter data and the corresponding reaction kinetic parameter data; S15. The product property data is transmitted back to the corresponding reactor inlet stream in the process flow model through the communication interface. The solution process for the reactor mechanism model includes: In the process flow model, obtain the process simulation parameter data of the reactor inlet stream corresponding to the reactor mechanism model, and the corresponding reaction kinetic parameter data; Using the raw material physical property data and the reaction kinetic parameter data as input, the partial differential equation is solved approximately by using the finite volume method based on the axial diffusion model equation; Determine whether the solution result has converged; if not, reset the initial simulation parameter data of the process flow model, and the corresponding reaction kinetic parameter data, and return to step S14; If so, the solution result is used as the calculation result for feeding back to the corresponding reactor outlet stream in the process flow model.

2. The method for simulating a chemically cyclic hydrogen production process according to claim 1, characterized in that, The reactor mechanism model includes: Mechanism models for fuel reactors, steam reactors, and air reactors.

3. The method for simulating a chemically cyclic hydrogen production process according to claim 1, characterized in that, The process simulation parameter data includes raw material property parameter data and equipment operation parameter data; The raw material property parameters include the temperature, pressure, and molar flow rate of the stream flowing into the reactor inlet in the process flow model.

4. The method for simulating a chemically cyclic hydrogen production process according to claim 1, characterized in that, The reactor mechanism model uses an axial diffusion model to model each reactor. The axial diffusion model equations include: ； in, C i For the first i The concentration of each component, the left side of the equation is the instantaneous term, and the reaction is... i The concentration difference of each component entering and escaping the microelement per unit time; the first term on the right side of the equation is the diffusion term. D e The axial dispersion coefficient is... Z The first term represents the axial position, indicating diffusion of the reactant concentration; the second term represents the convection term. u It refers to the fluid velocity, which is the degree of backmixing of components along the axial direction within a single unit of reaction. A i , E ai The chemical reaction kinetic parameters are respectively the first... i The pre-exponential factor and activation energy of a reaction.

5. The method for simulating a chemically cyclic hydrogen production process according to claim 2, characterized in that, The commercial process simulation software includes: Aspen Hysys or Aspen Plus.

6. The method for simulating a chemically cyclic hydrogen production process according to claim 5, characterized in that, The setting of the communication interface for data interaction between the reactor mechanism models and the process simulation software includes: The mechanism models of the fuel reactor, steam reactor, and air reactor were constructed using the Python programming language. Create a data communication interface in Aspen Hysys that includes a DLL file; the reactor mechanism models and Aspen Hysys can communicate directly via a COM port.

7. A chemical ring hydrogen production process simulation device, characterized in that, include: The process flow model generation unit is used to construct a process flow model of a chemical ring hydrogen production unit based on commercial process simulation software. The mechanism model generation unit is used to construct the reactor mechanism model of each reactor in the chemical ring hydrogen production device. The model embedding unit is used to embed each of the reactor mechanism models into the commercial process simulation software by setting the communication interface for data interaction between each reactor mechanism model and the process simulation software; The communication interface is used to read the process simulation parameter data of each reactor inlet stream in the process flow model, and to send back the product physical property data calculated and solved by each reactor mechanism model to the corresponding reactor outlet stream in the process flow model. The mechanism simulation unit is used to acquire process simulation parameter data of the inlet stream of each reactor in the process flow model through the communication interface; Each reactor mechanism model generates product physical property data based on the process simulation parameter data and the corresponding reaction kinetic parameter data; A data feedback unit is used to transmit the product physical property data back to the corresponding reactor outlet stream in the process flow model through the communication interface. The solution process for the reactor mechanism model includes: In the process flow model, obtain the process simulation parameter data of the reactor inlet stream corresponding to the reactor mechanism model, and the corresponding reaction kinetic parameter data; Using the raw material physical property data and the reaction kinetic parameter data as input, the partial differential equation is solved approximately by using the finite volume method based on the axial diffusion model equation; Determine whether the solution result has converged; if not, reset the initial simulation parameter data of the process flow model, and the corresponding reaction kinetic parameter data, and return to step S14; If so, the solution result is used as the calculation result for feeding back to the corresponding reactor outlet stream in the process flow model.

8. A chemical ring hydrogen production process simulation device, comprising: Memory, used to store computer programs; A processor is configured to invoke and execute the computer program to implement the various steps of the chemical ring hydrogen production process simulation method as described in any one of claims 1-6.

9. A storage medium having a computer program stored thereon, which, when executed by a processor, implements the various steps of the chemical ring hydrogen production process simulation method as described in any one of claims 1-6.

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