Simulation method and device for coal gasification reaction and electronic equipment

Abstract

The invention discloses a coal gasification reaction simulation method and device and electronic equipment. The method comprises the following steps: acquiring a reaction set required by a coal gasification process, and determining reaction materials and reaction conditions corresponding to the reaction set; a dynamic reactor is adopted to treat a reaction set and reaction materials under reaction conditions to obtain a simulation result, the simulation result is used for representing state parameters corresponding to the reaction set and the reaction materials, the dynamic reactor comprises an inlet, a reaction section and an outlet, the inlet is used for pretreating the reaction materials, and the outlet is used for discharging the reaction materials. The reaction section comprises a discretization module, a public flash evaporation module, a pressure drop calculation module and a reaction kinetics module, and an outlet is used for generating state parameters. According to the method and the device, the technical problems of poor compatibility and low calculation efficiency of the dynamic reactor due to the fact that the dynamic reactor in the related technology is lack of accurate simulation of gas-liquid-solid multi-phase reaction and the simultaneous equation method expression capability of flow simulation software is insufficient when complex solid materials are processed are solved.

Description

Technical Field

[0001] The present application relates to the field of chemical process simulation, and in particular to a method, device and electronic equipment for simulating coal gasification reactions. Background Art

[0002] As an important means of clean utilization of coal, coal gasification technology can convert coal into synthesis gas (mainly composed of CO, H2, CH4, etc.) under high temperature and high pressure conditions, thereby producing various chemical products and fuels such as hydrogen, low-chain alkanes, and aromatic hydrocarbons, thereby realizing the value-added utilization of coal resources. In the coal gasification process, the gasifier plays a core role, and its performance directly affects the coal gasification efficiency and gas production quality. Therefore, accurately simulating the operating status of the gasifier and optimizing its operating conditions are crucial to improving the efficiency and environmental protection of the coal gasification process.

[0003] In the related art, the simulation technology of the gasifier mainly relies on chemical process simulation software, such as Aspen Plus, Unisim, etc. These softwares use different methods to deal with gas-solid multiphase reaction processes. Among them, SM (Sequential Modular Method) is one of the most widely used methods. It can simulate the process by calculating each module one by one in a modular way according to the order of logistics or links. However, the SM method has certain limitations when simulating processes with loops, multi-objective optimization and complex process flows, such as long calculation time, poor convergence, and it is difficult to accurately model and simulate the complex composition and properties of solid materials, especially coal. In addition, the equation group of the entire process can be constructed by EO (Equation Oriented Method) to solve uniformly, so as to improve the calculation efficiency and accuracy of coal gasification. However, when using the EO method to deal with gas-solid multiphase reactions, especially complex reactions involving coal, due to the difficulty of solid characterization, users are often required to customize modules or write additional programs, which not only increases the complexity of the operation, but also limits the compatibility and freedom of the software.

[0004] In summary, the kinetic reactors in the relevant technologies lack accurate simulation of gas-liquid-solid multiphase reactions. At the same time, the simultaneous equation method of the process simulation software is insufficient in expressing its capabilities when processing complex solid materials, resulting in poor compatibility, low computational efficiency, and inability to accurately optimize various operations.

[0005] To address the above-mentioned problems, no effective solution has been proposed yet. Summary of the invention

[0006] The embodiments of the present application provide a method, device and electronic equipment for simulating coal gasification reactions, so as to at least solve the technical problems that the kinetic reactors in the related technologies lack accurate simulation of gas-liquid-solid multiphase reactions and the simultaneous equation method of the process simulation software is insufficient in expressing the ability when processing complex solid materials, resulting in poor compatibility and low computational efficiency of the kinetic reactors.

[0007] According to one aspect of an embodiment of the present application, a method for simulating a coal gasification reaction is provided, comprising: obtaining a reaction set required for a coal gasification process, and determining reaction materials and reaction conditions corresponding to the reaction set, wherein the reaction set is used to represent a set of chemical reaction equations related to the coal gasification process, and the reaction materials are used to represent chemical substances corresponding to the reaction set; using a kinetic reactor to process the reaction set and the reaction materials under the reaction conditions to obtain simulation results, wherein the simulation results are used to represent state parameters corresponding to the reaction set and the reaction materials, the kinetic reactor comprises an inlet, a reaction section and an outlet, the inlet is used to pretreat the reaction materials, the reaction section comprises a discretization module, a common flash module, a pressure drop calculation module and a reaction kinetics module, the outlet is used to generate state parameters, the discretization module is used to discretize the internal space of the kinetic reactor into multiple reaction nodes, the common flash module is used to perform flash equilibrium calculation on the reaction materials at the reaction nodes, the pressure drop calculation module is used to determine the pressure drop change between the reaction nodes, and the kinetic module is used to determine the reaction rate of the reaction nodes.

[0008] Optionally, the import is used to pre-treat the reaction materials, including: dividing the reaction materials into components to obtain component division results, wherein the component division results include: fluid components, non-fluid and conventional components, and non-fluid and unconventional components, wherein the fluid components are used to represent chemical substances existing in the reaction materials in the form of gas or liquid, the non-fluid and conventional components are used to represent chemical substances existing in the reaction materials in the form of solids and can be characterized by conventional physical property data, and the non-fluid and unconventional components are used to represent chemical substances existing in the reaction materials in the form of solids and cannot be characterized by conventional physical property data; determining unconventional properties of the non-fluid and unconventional components, and generating state variables corresponding to the unconventional properties, wherein the unconventional properties are properties that cannot be characterized by conventional physical property data, and the state variables are used to represent the state changes of the unconventional properties during the reaction process.

[0009] Optionally, the discretization module is also used to convert the chemical reaction equations in the reaction set into differential equations, which are used to adapt the simultaneous equation method in the kinetic reactor, and the simultaneous equation method is used to jointly solve all chemical reaction equations in the reaction set.

[0010] Optionally, converting the chemical reaction equations in the reaction set into differential equations includes: converting the chemical reaction equations in the reaction set into differential equations by a preset discretization method, wherein the preset discretization method includes at least one of the following: a finite difference method and an orthogonal configuration method.

[0011] Optionally, the common flash evaporation module is used to perform flash equilibrium calculation on the reaction material at the reaction node, including: obtaining the flash evaporation type and phase change range configured in the user interface; determining the component of the reaction material, and when the reaction material contains only one component, performing single-phase flash evaporation treatment on the reaction material according to the flash evaporation type and the phase change range, wherein the single-phase flash evaporation treatment is used to determine the phase change of a single component under preset reaction conditions; when the reaction material contains multiple components, performing multi-phase flash evaporation treatment on the reaction material according to the flash evaporation type and the phase change range, wherein the multi-phase flash evaporation treatment is used to determine the phase change of multiple components under preset reaction conditions.

[0012] Optionally, the pressure drop calculation module is used to determine the pressure drop change between reaction nodes, including: determining the fluid mechanics parameters of the reaction materials on the reaction nodes; processing the fluid mechanics parameters by a preset pressure drop formula to obtain the pressure drop change between the reaction nodes.

[0013] Optionally, the kinetic module is used to determine the reaction rate of the reaction node, including: obtaining a kinetic model configured in the user interface, and obtaining thermodynamic parameters of the reaction material during the reaction process, wherein the kinetic model includes at least one of the following: a power exponential kinetic model and an unreacted core shrinkage model; determining the component conditions of the reaction material, and when the reaction material contains only one component, processing the thermodynamic parameters through the kinetic model to obtain the reaction rate; when the reaction material contains multiple components, generating bridging variables corresponding to the multiple components, and processing the thermodynamic parameters and the bridging variables through the kinetic model to obtain the reaction rate, wherein the bridging variable is used to represent the variable corresponding to the interaction between the multiple components.

[0014] According to another aspect of an embodiment of the present application, a simulation device for a coal gasification reaction is also provided, including: an acquisition module, used to acquire a reaction set required for a coal gasification process, and determine reaction materials and reaction conditions corresponding to the reaction set, wherein the reaction set is used to represent a set of chemical reaction equations related to the coal gasification process, and the reaction materials are used to represent chemical substances corresponding to the reaction set; a processing module, used to process the reaction set and the reaction materials under reaction conditions using a kinetic reactor to obtain a simulation result, wherein the simulation result is used to represent state parameters corresponding to the reaction set and the reaction materials, the kinetic reactor includes an inlet, a reaction section and an outlet, the inlet is used to pretreat the reaction materials, the reaction section includes a discretization module, a common flash module, a pressure drop calculation module and a reaction kinetics module, the outlet is used to generate state parameters, the discretization module is used to discretize the internal space of the kinetic reactor into multiple reaction nodes, the common flash module is used to perform flash equilibrium calculation on the reaction materials at the reaction nodes, the pressure drop calculation module is used to determine the pressure drop change between reaction nodes, and the kinetic module is used to determine the reaction rate of the reaction nodes.

[0015] According to another aspect of the embodiment of the present application, there is also provided an electronic device, including: a memory and a processor, wherein the memory is used to store program instructions; the processor is connected to the memory and is used to execute the simulation method for realizing the above-mentioned coal gasification reaction.

[0016] According to another aspect of the embodiments of the present application, a non-volatile storage medium is provided, the non-volatile storage medium includes a stored computer program, wherein the device where the non-volatile storage medium is located executes the above-mentioned method for simulating the coal gasification reaction by running the computer program.

[0017] According to another aspect of the embodiments of the present application, a computer program product is provided, including computer instructions, which implement the above-mentioned method for simulating coal gasification reaction when executed by a processor.

[0018] In an embodiment of the present application, a reaction set required for a coal gasification process is obtained, and reaction materials and reaction conditions corresponding to the reaction set are determined, wherein the reaction set is used to represent a set of chemical reaction equations related to the coal gasification process, and the reaction materials are used to represent chemical substances corresponding to the reaction set; a kinetic reactor is used to process the reaction set and the reaction materials under the reaction conditions to obtain simulation results, wherein the simulation results are used to represent state parameters corresponding to the reaction set and the reaction materials, and the kinetic reactor includes an inlet, a reaction section, and an outlet, the inlet is used to pretreat the reaction materials, the reaction section includes a discretization module, a common flash module, a pressure drop calculation module, and a reaction kinetics module, the outlet is used to generate state parameters, and the discretization module is used to convert the internal The space is discretized into multiple reaction nodes, the common flash module is used to perform flash equilibrium calculation on the reaction materials at the reaction nodes, the pressure drop calculation module is used to determine the pressure drop change between the reaction nodes, and the kinetic module is used to determine the reaction rate of the reaction nodes, thereby achieving the purpose of modular design based on the kinetic reactor and realizing accurate simulation of complex coal gasification reaction processes, thereby achieving the technical effect of improving the computational efficiency of gas-liquid-solid multiphase reaction simulation and expanding the operation optimization function, thereby solving the technical problems of poor compatibility and low computational efficiency of the kinetic reactor due to the lack of accurate simulation of gas-liquid-solid multiphase reactions in the kinetic reactor in the related technology and insufficient expression ability of the simultaneous equation method of the process simulation software when processing complex solid materials. BRIEF DESCRIPTION OF THE DRAWINGS

[0019] The drawings described herein are used to provide a further understanding of the present application and constitute a part of the present application. The illustrative embodiments of the present application and their descriptions are used to explain the present application and do not constitute an improper limitation on the present application. In the drawings:

[0020] Figure 1 is a hardware structure diagram of a computer terminal for implementing a simulation method for coal gasification reaction according to an embodiment of the present application;

[0021] Figure 2 is a flow chart of a method for simulating a coal gasification reaction according to an embodiment of the present application;

[0022] Figure 3 is a schematic diagram of the architecture of a kinetic reactor according to an embodiment of the present application;

[0023] Figure 4 It is a structural diagram of a simulation device for coal gasification reaction according to an embodiment of the present application. DETAILED DESCRIPTION

[0024] In order to enable those skilled in the art to better understand the solution of the present application, the technical solution in the embodiments of the present application will be clearly and completely described below in conjunction with the drawings in the embodiments of the present application. Obviously, the described embodiments are only part of the embodiments of the present application, not all of the embodiments. Based on the embodiments in the present application, all other embodiments obtained by ordinary technicians in this field without creative work should fall within the scope of protection of the present application.

[0025] It should be noted that the terms "first", "second", etc. in the specification and claims of the present application and the above-mentioned drawings are used to distinguish similar objects, and are not necessarily used to describe a specific order or sequence. It should be understood that the data used in this way can be interchangeable where appropriate, so that the embodiments of the present application described herein can be implemented in an order other than those illustrated or described herein. In addition, the terms "including" and "having" and any of their variations are intended to cover non-exclusive inclusions, for example, a process, method, system, product or device comprising a series of steps or units is not necessarily limited to those steps or units clearly listed, but may include other steps or units that are not clearly listed or inherent to these processes, methods, products or devices.

[0026] First, some nouns or terms that appear in the process of explaining the embodiments of the present application are subject to the following explanations:

[0027] EO (Equation Oriented Method): A modeling method used in chemical process simulation, which aims to build a mathematical model of the entire process, convert all relevant material balances, energy balances, etc. into a set of equations, and then solve this set of equations to simulate the chemical process. This method can provide more accurate simulation results, especially when dealing with complex systems.

[0028] SM (Sequential Modular Method): Another modeling method used in chemical process simulation, which simulates the entire process by breaking the process into a series of modules or units, solving each module in sequence, and finally combining the results. This method is more commonly used in simple process simulations, but may encounter convergence problems when dealing with complex systems.

[0029] Kinetic reactor: A model of a chemical reactor that is designed and operated based on the principles of reaction kinetics. Unlike reactors based on chemical equilibrium, kinetic reactors take into account reaction rate and kinetic parameters and can simulate actual reaction processes more realistically, such as CSTR (Continuous Stirred Tank Reactor, fully mixed flow reactor), PFR (Plug Flow Reactor, plug flow reactor), etc.

[0030] PMFlash (Phase Multi-Flash): A multiphase equilibrium calculation technique used to determine the phase distribution of materials in chemical processes under given thermodynamic conditions (such as temperature and pressure). It can handle flash equilibrium of gas, liquid, solid three-phase or multiphase systems and is an important component of kinetic reactor models.

[0031] FDM (Finite Difference Method): A numerical analysis method used to solve differential equations. In a kinetic reactor model, the discretization module usually uses the finite difference method to discretize the internal space of the reactor into multiple nodes to facilitate the calculation of reaction rates and material changes.

[0032] OC (Orthogonal Collocation): A special technique for numerical integration that can more accurately approximate the integral value. In the reactor model, OC is used to optimize the distribution of discretized nodes and improve the accuracy and computational efficiency of the model.

[0033] Power exponential kinetics: A kinetic model that describes the variation of chemical reaction rate with reactant concentration, in which the reaction rate is proportional to a power function of the reactant concentration.

[0034] Unreacted Core Shrinkage Model (UCSCM): A kinetic model used to describe solid particles in gas-solid reactions. It assumes that the reaction only occurs on the surface of the particles. As the reaction proceeds, the unreacted core gradually decreases and the reaction rate of the particles also changes accordingly.

[0035] In order to solve the problem of poor efficiency of coal gasification simulation in the related art, the present application embodiment provides a method for simulating coal gasification reaction, which can be run on Figure 1 In the computer terminal shown, the computer terminal is described below.

[0036] The coal gasification reaction simulation method embodiment provided in the embodiment of the present application can be executed in a mobile terminal, a computer terminal or a similar computing device. Figure 1FIG. 1 shows a hardware structure block diagram of a computer terminal for implementing a simulation method for coal gasification reaction. Figure 1 As shown, the computer terminal 10 may include one or more (102a, 102b, ..., 102n are used to illustrate) processors (the processor may include but is not limited to a processing device such as a microprocessor MCU or a programmable logic device FPGA), a memory 104 for storing data, and a transmission module 106 for communication functions connected via a wired and / or wireless network. In addition, it may also include: a display, a keyboard, a cursor control device, an input / output interface (I / O interface), a universal serial bus (USB) port (which may be included as one of the ports of the I / O interface), a network interface, and a BUS bus. Those skilled in the art can understand that Figure 1 The structure shown is only for illustration and does not limit the structure of the above electronic device. Figure 1 More or fewer components as shown, or with Figure 1 Different configurations are shown.

[0037] It should be noted that the one or more processors and / or other data processing circuits described above may generally be referred to herein as "data processing circuits". The data processing circuits may be embodied in whole or in part as software, hardware, firmware, or any other combination thereof. In addition, the data processing circuit may be a single independent processing module, or may be incorporated in whole or in part into any of the other components in the computer terminal 10. As described in the embodiments of the present application, the data processing circuit acts as a processor control (e.g., selection of a variable resistor terminal path connected to an interface).

[0038] The memory 104 can be used to store software programs and modules of application software, such as the program instructions / data storage device corresponding to the simulation method of the coal gasification reaction in the embodiment of the present application. The processor executes various functional applications and data processing by running the software programs and modules stored in the memory 104, that is, realizing the above-mentioned simulation method of the coal gasification reaction. The memory 104 may include a high-speed random access memory, and may also include a non-volatile memory, such as one or more magnetic storage devices, flash memory, or other non-volatile solid-state memory. In some examples, the memory 104 may further include a memory remotely arranged relative to the processor, and these remote memories may be connected to the computer terminal 10 via a network. Examples of the above-mentioned network include, but are not limited to, the Internet, an intranet, a local area network, a mobile communication network, and combinations thereof.

[0039] The transmission module 106 is used to receive or send data via a network. The specific example of the above network may include a wireless network provided by a communication provider of the computer terminal 10. In one example, the transmission module 106 includes a network adapter (Network Interface Controller, NIC), which can be connected to other network devices through a base station so as to communicate with the Internet. In one example, the transmission module 106 can be a radio frequency (RF) module, which is used to communicate with the Internet wirelessly.

[0040] The display may be, for example, a touch screen liquid crystal display (LCD) that enables a user to interact with a user interface of the computer terminal 10 .

[0041] It should be noted that, in some optional embodiments, the above Figure 1 The computer terminal shown may include hardware elements (including circuits), software elements (including computer code stored on a computer-readable medium), or a combination of hardware elements and software elements. It should be noted that Figure 1 This is merely one example of a particular embodiment and is intended to illustrate the types of components that may be present in the computer terminal described above.

[0042] Under the above operating environment, an embodiment of the present application provides an embodiment of a simulation method for a coal gasification reaction. It should be noted that the steps shown in the flowchart of the accompanying drawings can be executed in a computer system such as a set of computer executable instructions, and although the logical order is shown in the flowchart, in some cases, the steps shown or described can be executed in an order different from that shown here.

[0043] Figure 2 is a flow chart of a method for simulating a coal gasification reaction according to an embodiment of the present application, such as Figure 2 As shown, the method comprises the following steps:

[0044] Step S202, obtaining a reaction set required for the coal gasification process, and determining the reaction materials and reaction conditions corresponding to the reaction set, wherein the reaction set is used to represent a set of chemical reaction equations related to the coal gasification process, and the reaction materials are used to represent the chemical substances corresponding to the reaction set.

[0045] In the above step S202, the reaction set refers to a set of chemical reaction equations closely related to the coal gasification process, including but not limited to coal cracking, gasification, combustion and water-gas shift reactions.

[0046] Reaction materials refer to the chemical substances involved in the coal gasification process, including raw coal, oxygen, steam, etc. This step requires in-depth analysis of the properties of the materials, especially the composition, particle size distribution, reactivity, etc. of the coal, to ensure the accuracy and reliability of the model.

[0047] Reaction conditions include thermodynamic and kinetic parameters such as temperature, pressure, and residence time during the coal gasification process. The reaction conditions directly affect the reaction rate and product distribution and are an indispensable element in simulating the coal gasification process. For example, coal gasification is usually carried out under high temperature and high pressure conditions to promote the reaction.

[0048] Step S204, using a kinetic reactor to process the reaction set and the reaction materials under reaction conditions to obtain simulation results, wherein the simulation results are used to represent state parameters corresponding to the reaction set and the reaction materials, the kinetic reactor includes an inlet, a reaction section and an outlet, the inlet is used to pretreat the reaction materials, the reaction section includes a discretization module, a common flash module, a pressure drop calculation module and a reaction kinetics module, the outlet is used to generate state parameters, the discretization module is used to discretize the internal space of the kinetic reactor into multiple reaction nodes, the common flash module is used to perform flash equilibrium calculation on the reaction materials at the reaction nodes, the pressure drop calculation module is used to determine the pressure drop change between the reaction nodes, and the kinetic module is used to determine the reaction rate of the reaction nodes.

[0049] In the above step S204, the kinetic reactor mainly includes three parts: an inlet, a reaction section and an outlet. This design ensures the controllability and accuracy of the entire process from material input to reaction completion to state parameter generation.

[0050] In the embodiment of the present application, the overall structure of the kinetic reactor (taking PFR as an example) is as follows: Figure 3 As shown, specifically:

[0051] Stream Inlet: In the inlet part, the reaction materials entering the reactor during the coal gasification process are received and pre-treated, such as normalizing the three-phase (gas, liquid, solid) material flow to ensure that the materials entering the reaction section have uniform thermodynamic conditions, which is convenient for subsequent simulation calculations.

[0052] Reaction segment (Segment): The entire PFR is divided into multiple reaction segments, each of which contains a discretization module (Discrete), a pressure drop calculation module (PressDrop), a multiphase flash module (PMFlash) and a reaction kinetics module (ReactionSeg). This division method allows the reaction process of the reactor to be processed in detail in segments, thereby improving the accuracy and efficiency of the simulation. Specifically:

[0053] The discretization module (Discrete) is used to discretize the internal space of the reactor into multiple nodes, and adopts different discretization methods (such as finite difference and orthogonal configuration) to improve the calculation accuracy.

[0054] The pressure drop calculation module (PressDrop) is used to calculate the pressure drop between nodes, taking into account the actual physical environment in the gasifier, such as the reactor inclination angle, pipeline roughness, etc., to select the appropriate pressure drop calculation formula (such as Ergun, Beggs-Brill, Darcy, etc.).

[0055] The Multiphase Flash Module (PMFlash) is used to perform flash equilibrium calculations to ensure that the gas, liquid, and solid phases reach thermodynamic equilibrium at each reaction node and determine the phase state involved in the reaction, which is the core of simulating multiphase reactions. The PMFlash module can also handle the characteristics of unconventional solids, such as particle size distribution, to ensure the comprehensiveness and accuracy of the simulation.

[0056] The reaction kinetics module (ReactionSeg) is responsible for calculating the reaction rate and reaction progress. It determines the reaction degree and material composition change of each node according to the reaction kinetics model configured by the user, such as power exponential kinetics or unreacted core shrinkage model.

[0057] StreamOutlet: The material outlet part of the reactor is responsible for generating the state parameters after the reaction, such as temperature, pressure, composition, etc. These parameters reflect the final output state of the reactor and can be used as input information for subsequent process flow simulation.

[0058] It should be noted that the kinetic reactor additionally supports adiabatic reaction design, which means that in the simulation of the reactor, the ideal condition of no heat exchange with the outside world can be considered. Under adiabatic conditions, the chemical reaction inside the reactor will not be affected by the external ambient temperature, and energy conservation is only carried out inside the reaction materials, that is, all the heat generated during the reaction is used to change the state of the materials, and will not be dissipated into the environment.

[0059] Through the above steps S202 to S204, the modular design based on the kinetic reactor is achieved to realize the purpose of accurately simulating the complex coal gasification reaction process, thereby achieving the technical effect of improving the calculation efficiency of the gas-liquid-solid multiphase reaction simulation and expanding the operation optimization function, thereby solving the technical problems of poor compatibility and low calculation efficiency of the kinetic reactor due to the lack of accurate simulation of the gas-liquid-solid multiphase reaction in the kinetic reactor in the related technology and the insufficient expression ability of the simultaneous equation method of the process simulation software when processing complex solid materials. The following is a detailed description.

[0060] Optionally, the import is used to pre-treat the reaction materials, including: dividing the reaction materials into components to obtain component division results, wherein the component division results include: fluid components, non-fluid and conventional components, and non-fluid and unconventional components, wherein the fluid components are used to represent chemical substances existing in the reaction materials in the form of gas or liquid, the non-fluid and conventional components are used to represent chemical substances existing in the reaction materials in the form of solids and can be characterized by conventional physical property data, and the non-fluid and unconventional components are used to represent chemical substances existing in the reaction materials in the form of solids and cannot be characterized by conventional physical property data; determining unconventional properties of the non-fluid and unconventional components, and generating state variables corresponding to the unconventional properties, wherein the unconventional properties are properties that cannot be characterized by conventional physical property data, and the state variables are used to represent the state changes of the unconventional properties during the reaction process.

[0061] In the embodiment of the present application, at the reactor inlet stage, the material flow is carefully divided into three component types: fluid component, non-fluid and conventional component, and non-fluid and unconventional component. The details are as follows:

[0062] Fluid components: refers to chemical substances that exist in the form of gas or liquid in the reaction materials, such as water vapor, carbon dioxide, oxygen, hydrogen, etc. These components usually have clear and easy-to-obtain physical property data in the chemical process, such as density, viscosity, specific heat, etc., and are the main participating components in the reaction process.

[0063] Non-fluid and conventional components: These components exist in solid form in the reaction materials, but can be characterized by conventional physical property data, such as carbon and ash in coal. Although conventional solid components are not easy to flow, their physical properties such as mass and particle size distribution can be described by existing physical property databases or experimental data.

[0064] Non-fluid and unconventional components: These components also exist in solid form, but their properties cannot be characterized by conventional physical property data, such as organic matter in coal, the complex structure of minerals, etc. The physical property data of unconventional components are often difficult to obtain accurately, and their impact on the reaction process is more complex and difficult to predict.

[0065] Furthermore, for non-fluid and unconventional components, it is necessary to determine their unconventional properties, such as particle size distribution, porosity, reactivity, etc., which are often missing or inapplicable in conventional physical property databases. After determining these unconventional properties, the reactor model will generate state variables corresponding to these properties to reflect the changes in unconventional properties during the reaction. For example, during the coal gasification process, the particle size distribution of coal will affect its contact area and reaction rate with the gas-phase reactants, the porosity will affect the escape rate of the gas-phase products and the efficiency of the reaction, and the reactivity will directly determine the extent of the coal gasification reaction. Therefore, converting these unconventional properties into state variables can not only accurately describe the initial state of the reaction materials, but also track their dynamic changes during the reaction in real time, which is crucial to establishing a highly accurate reactor model.

[0066] The generated state variables will be combined with other EO (simultaneous equation) variables and equations in the reactor. Through upstream and downstream connections, users can manipulate these state variables through any auxiliary modules to easily adjust the component properties in the reaction process without writing complex subroutines or logic codes. This greatly improves the flexibility and user-friendliness of the reactor model, making the simulation and optimization of the reaction process more intuitive and efficient.

[0067] Optionally, the discretization module is also used to convert the chemical reaction equations in the reaction set into differential equations, which are used to adapt the simultaneous equation method in the kinetic reactor, and the simultaneous equation method is used to jointly solve all chemical reaction equations in the reaction set.

[0068] Optionally, converting the chemical reaction equations in the reaction set into differential equations includes: converting the chemical reaction equations in the reaction set into differential equations by a preset discretization method, wherein the preset discretization method includes at least one of the following: a finite difference method and an orthogonal configuration method.

[0069] In the embodiment of the present application, the discretization module expresses the dynamic characteristics of the chemical reaction through differential equations and adapts the EO method to solve it, which enables the kinetic reactor to efficiently and accurately simulate complex chemical processes, especially when dealing with gas-liquid-solid multiphase reactions. The use of the EO method not only improves the accuracy of the simulation, but also enhances the adaptability of the model to various operating conditions and process flows, providing a powerful tool for the optimization and prediction of processes such as coal gasification. By adapting the simultaneous equation method, the discretization module ensures the computing power and flexibility of the kinetic reactor in the face of complex reaction dynamics, which is an important improvement on the traditional reactor model based on chemical equilibrium or sequential module method (SM).

[0070] Specifically, in chemical process simulation, chemical reactions are usually represented by algebraic equations, but in kinetic reactors, since the reaction rate is affected by time and space variables, such as in a plug flow reactor (PFR), the reaction rate may vary along the reactor axis. Therefore, it is necessary to convert the relevant chemical reaction equations into differential equations. Subsequently, the differential equations can be combined with equations of other physical processes (such as material balance, energy balance, etc.) to form a complete set of equations.

[0071] Furthermore, the discretization module of the kinetic reactor uses the EO method to solve these differential equations and physical process equations. When solving the simultaneous equation method, the kinetic reactor discretizes the reactor space into multiple nodes (the specific number is determined by the user configuration), each node representing a small area in the reactor. At each node, the differential equation is solved once to calculate the reaction rate and material composition changes at that node. The connection between nodes is achieved through the continuity equations of materials and energy to ensure the continuity and consistency of the physical and chemical processes throughout the reactor.

[0072] In an embodiment of the present application, the main interfaces of the discretization module may include: initialize, initialVar, initialAttribute, initialValue, eval_func, and eval_jac.

[0073] The main implementation methods of the discretization module can include various finite difference and orthogonal collocation methods, such as:

[0074] First-order backward finite difference (BFD1), the discrete node partitioning method is average partitioning;

[0075] Second-order backward finite difference (BFD2), the discrete node partitioning method is average partitioning;

[0076] Second-order central finite difference (CFD2), the discrete node partitioning method is average partitioning;

[0077] Fourth-order central finite difference (CFD4), the discrete node partitioning method is average partitioning;

[0078] Second-order orthogonal configuration (OCFE2), the discrete node partitioning method is average partitioning;

[0079] The third-order orthogonal configuration (OCFE3) uses the discrete node division method to divide the nodes according to the ratio of each segment length to the total length: 1-2.7321-1-1-2.7321-1;

[0080] The fourth-order orthogonal configuration (OCFE4) uses the discrete node division method, in which the length of each segment is divided into nodes according to the proportion of the total length: 1-3.43656-3.43656-1-1-3.43656-3.43656-1.

[0081] Optionally, the common flash evaporation module is used to perform flash equilibrium calculation on the reaction material at the reaction node, including: obtaining the flash evaporation type and phase change range configured in the user interface; determining the component of the reaction material, and when the reaction material contains only one component, performing single-phase flash evaporation treatment on the reaction material according to the flash evaporation type and the phase change range, wherein the single-phase flash evaporation treatment is used to determine the phase change of a single component under preset reaction conditions; when the reaction material contains multiple components, performing multi-phase flash evaporation treatment on the reaction material according to the flash evaporation type and the phase change range, wherein the multi-phase flash evaporation treatment is used to determine the phase change of multiple components under preset reaction conditions.

[0082] In the embodiment of the present application, the common flash module is used to perform flash equilibrium calculation on the material flow entering each section of the reactor to ensure that at each reaction node, the material participates in the chemical reaction in the correct phase. The specific process can be as follows:

[0083] First, you need to obtain the configuration information of the flash type and phase change range (effective phase) from the user interface. Flash types include PT (temperature pressure), PH (pressure enthalpy), PV (pressure gas fraction), TH (temperature enthalpy), PS (pressure entropy), TS (temperature entropy), etc. Each type performs flash calculations based on different thermodynamic parameters. The phase change range defines the phases that need to exist in the simulation, such as VL (gas-liquid), VLL (gas-liquid-liquid), VLFW (gas-liquid free water), VLDW (gas-liquid wastewater), LL (liquid-liquid), LDW (liquid wastewater), LFW (liquid free water), etc.

[0084] Secondly, if the reaction material contains only one component, the common flash module will perform a single-phase flash process. This usually means determining the phase of the single component under specific temperature and pressure conditions, that is, whether it is gaseous, liquid or solid, or possibly in a two-phase equilibrium state.

[0085] When the reaction material contains multiple components, the module will perform more complex multiphase flash processing, which requires considering the phase equilibrium between all components to ensure that each component exists in the correct phase at the reaction node. For example, when the material components are complex, the module will perform sub-flash processing, each sub-flash focuses on a component group of a single component type, inherits the flash configuration of the parent class, and considers the enthalpy and entropy of the entire component group. Under adiabatic conditions, the module ensures that the total enthalpy of each node remains unchanged, thereby accurately simulating the reaction process under energy conservation. The iteration is successful through iterative processing until the temperature and pressure obtained by all sub-flashes are the same. This processing method ensures the consistency of thermodynamic parameters throughout the reactor.

[0086] It should be noted that the public flash module can also provide additional initialize, initialVar, initialAttribute, initialValue, eval_func, eval_ja and other interfaces to realize EO variable generation and EO equation generation calculation. The EO-related function configuration is also inherited from the parent class.

[0087] In addition to flash processing of conventional components, the public flash module can also handle the unconventional properties of non-fluid and unconventional components. When there are components in the material that cannot be characterized by conventional physical property data, the module will generate state variables corresponding to these unconventional properties, such as particle size distribution, reactivity, etc. The generation of these variables and the connection of upstream and downstream allow users to easily adjust these properties through other modules without writing complex user subroutines, which improves the flexibility and practicality of the model.

[0088] In summary, the public flash module can handle single-phase and multiphase flash evaporation through the configuration of the user interface, ensuring that the reactants participate in the reaction in the correct phase at each reaction node. This modular and configurable processing method not only simplifies the operation, but also enhances the ability of the kinetic reactor model to handle complex multiphase reactions, especially in scenarios involving gas-liquid-solid three-phase interactions such as coal gasification. By precisely controlling the phase state of the material, the reaction process can be simulated more accurately, providing strong support for the optimization and design of chemical processes.

[0089] Optionally, the pressure drop calculation module is used to determine the pressure drop change between reaction nodes, including: determining the fluid mechanics parameters of the reaction materials on the reaction nodes; processing the fluid mechanics parameters by a preset pressure drop formula to obtain the pressure drop change between the reaction nodes.

[0090] In the embodiment of the present application, the pressure drop calculation module is responsible for calculating the pressure drop change of the reaction material when passing through each node of the reactor, so as to ensure the consistency of the model with the actual physical characteristics of the reactor.

[0091] Specifically, at each reaction node, the pressure drop calculation module first determines the fluid mechanics parameters of the reaction material, including but not limited to the flow rate, flow rate, temperature, pressure, density, viscosity, etc. of the material, as well as the geometric parameters of the reactor, such as the distance between nodes, pipe diameter, inclination angle, pipe roughness, and physical size of the catalyst. Subsequently, the determined fluid mechanics parameters are processed using a preset pressure drop formula to calculate the pressure drop change between the reaction nodes. The preset pressure drop formula is based on the principle of fluid mechanics and can be used to estimate the pressure drop when the fluid flows in the pipeline under various conditions. After determining the fluid mechanics parameters and calculating them through the selected pressure drop formula, the pressure drop calculation module can obtain the pressure drop change between the reaction nodes. This pressure drop change not only reflects the resistance loss of the fluid flow, but is also related to the reaction kinetics and material conversion rate, because the pressure change can affect the reaction rate and the phase state of the material.

[0092] The interfaces of the pressure drop calculation module may include initialize, initialVar, initialAttribute, initialValue, eval_func, and eval_ja. The pressure drop calculation module supports multiple pressure drop calculation formulas such as Ergun, BeggsBrill, and Darcy, and allows users to configure and select according to the specific conditions of the reactor. For example, in an adiabatic plug flow reactor (PFR), users can configure and select to use the Ergun formula to deal with the pressure drop in the solid particle bed, or use the Darcy formula to calculate the flow resistance of the fluid in the porous catalyst, thereby more accurately simulating the physical conditions in the coal gasification process.

[0093] It should be noted that by adjusting the configuration of the pressure drop module, the user can also set the reactor to constant pressure mode. At this time, the module will no longer calculate the pressure drop change, but keep the pressure constant during the entire reaction process. This design is particularly suitable for scenarios where strict control of reaction conditions is required, such as in the high-pressure synthesis gas preparation process, where maintaining a constant high pressure has a significant impact on the reaction rate and product selectivity.

[0094] Through the pressure drop calculation module, users can not only determine the pressure drop of the reaction materials when they flow inside the reactor, but also adjust parameters such as pipeline inclination angle and catalyst physical size to simulate the pressure drop changes under different reactor designs and operating conditions, which provides an important means for the optimization and accurate simulation of reactor models, especially in dealing with gas-liquid-solid multiphase reactions and scenarios that require fine control of pressure drop.

[0095] Optionally, the kinetic module is used to determine the reaction rate of the reaction node, including: obtaining a kinetic model configured in the user interface, and obtaining thermodynamic parameters of the reaction material during the reaction process, wherein the kinetic model includes at least one of the following: a power exponential kinetic model and an unreacted core shrinkage model; determining the component conditions of the reaction material, and when the reaction material contains only one component, processing the thermodynamic parameters through the kinetic model to obtain the reaction rate; when the reaction material contains multiple components, generating bridging variables corresponding to the multiple components, and processing the thermodynamic parameters and the bridging variables through the kinetic model to obtain the reaction rate, wherein the bridging variable is used to represent the variable corresponding to the interaction between the multiple components.

[0096] In the embodiment of the present application, the reaction kinetics module supports two kinetic models: power exponential kinetics and unreacted core shrinkage model. At each discretized node, the module will calculate the overall reaction rate based on the kinetic model configured in the user interface, combined with the thermodynamic parameters of the reaction materials during the reaction process, such as temperature, pressure, and component concentration, as well as the components of the reaction materials. The specific expression can be as follows:

[0097]

[0098] Among them, r A represents the final reaction rate, V represents the volume of the reaction node, Represents the concentration change within a reaction node.

[0099] It should be noted that when the reaction material contains only one component, the kinetic module will directly process the thermodynamic parameters through the selected kinetic model. In scenarios such as coal gasification, the module will calculate the reaction rate of the component based on the given temperature, pressure and component concentration through the kinetic model equation. For example, when using the power exponential kinetic model, the reaction rate may be proportional to the power of the temperature and pressure, while in the unreacted core shrinkage model, the reaction rate may be related to the reactivity of the solid particle surface and the gas diffusion rate.

[0100] When the reaction material contains multiple components, in order to accurately describe the interactions between the multiple components, the module will generate bridge variables corresponding to these components, such as the connection between the consumption rate of the reactants and the production rate of the products, as well as the competition or synergy between the reactants. By generating bridge variables, the kinetic module can simultaneously handle the interactions between different components, so that the entire reactor model can accurately reflect the complex kinetic behavior in the actual reaction process. For example, in the coal gasification process, the reactions of various components of coal (such as carbon, ash, and volatile matter) with gas phase components (such as oxygen and water vapor) occur simultaneously. The introduction of bridge variables can help capture the kinetic connections between these components, so that the model can more realistically reflect the rate and efficiency of the coal gasification reaction.

[0101] In the embodiment of the present application, the discretization module, pressure drop module, reaction module, and common flash module of the kinetic reactor (such as PFR) are written in a C++ class respectively. Then, the compiled PFR.dll is imported into the process simulation software, and the reaction set of the coal gasification process is added to simulate the coal gasification reaction. Take the following reaction set as an example:

[0102]

[0103] C+H2O-->CO+H2;

[0104] C+CO2-->2CO;

[0105] C+2H2-->CH4;

[0106] S+H2-->H2S;

[0107] H2+0.5O2-->H2O;

[0108] CO+0.5O2-->CO2;

[0109] CH4+2O2-->CO2+2H2O;

[0110] CH4+H2O-->CO+3H2;

[0111] CO+H2O-->CO2+H2.

[0112] The simulation results are shown in Table 1:

[0113] Table 1 Simulation results of coal gasification reaction

[0114]

[0115]

[0116] In the embodiment of the present application, through a unique modular design, including discretization, pressure drop calculation, public flash and reaction kinetics modules, it is not only compatible with the framework of traditional chemical process simulation software, but also significantly improves the processing ability of complex multiphase reactions. Specifically, the discretization module flexibly adopts a variety of differential methods to ensure the accurate description of reaction kinetics; the pressure drop calculation module supports a variety of formulas to accurately reflect the pressure drop changes of fluids under different conditions; the public flash module realizes the equilibrium calculation of multiphase logistics and adapts to complex phase changes; the reaction kinetics module captures the dynamic relationship between different components through bridging variables and a variety of kinetic models. In addition, special emphasis is placed on the processing of unconventional solid properties, which enhances the versatility and applicability of the model. Compared with the prior art, this application has significant improvements in improving the computing speed, the richness of supporting functions, the flexibility of the model and the accuracy of the results, and provides a more advanced and practical simulation tool for chemical processes involving gas-liquid-solid three-phase reactions such as coal gasification, which has important technical significance and application value.

[0117] According to an embodiment of the present application, a simulation device for coal gasification reaction is provided. It should be noted that the simulation device for coal gasification reaction in the embodiment of the present application can be used to execute the simulation method for coal gasification reaction provided in the embodiment of the present application. The simulation device for coal gasification reaction provided in the embodiment of the present application is introduced below.

[0118] Figure 4 is a structural diagram of a simulation device for coal gasification reaction provided in an embodiment of the present application. Figure 4 As shown, the device comprises:

[0119] An acquisition module 40 is used to acquire a reaction set required for the coal gasification process and determine reaction materials and reaction conditions corresponding to the reaction set, wherein the reaction set is used to represent a set of chemical reaction equations related to the coal gasification process, and the reaction materials are used to represent chemical substances corresponding to the reaction set;

[0120] The processing module 42 is used to use a kinetic reactor to process the reaction set and the reaction materials under reaction conditions to obtain simulation results, wherein the simulation results are used to represent the state parameters corresponding to the reaction set and the reaction materials. The kinetic reactor includes an inlet, a reaction section and an outlet. The inlet is used to pretreat the reaction materials. The reaction section includes a discretization module, a common flash module, a pressure drop calculation module and a reaction kinetics module. The outlet is used to generate state parameters. The discretization module is used to discretize the internal space of the kinetic reactor into multiple reaction nodes. The common flash module is used to perform flash equilibrium calculation on the reaction materials at the reaction nodes. The pressure drop calculation module is used to determine the pressure drop change between the reaction nodes. The kinetic module is used to determine the reaction rate of the reaction nodes.

[0121] Through the acquisition module 40 and the processing module 42 in the above-mentioned coal gasification reaction simulation device, a modular design based on the kinetic reactor is achieved to realize the purpose of accurately simulating the complex coal gasification reaction process, thereby realizing the technical effect of improving the computational efficiency of gas-liquid-solid multiphase reaction simulation and expanding the operation optimization function, thereby solving the technical problems of poor compatibility and low computational efficiency of the kinetic reactor due to the lack of accurate simulation of gas-liquid-solid multiphase reactions in the kinetic reactor in the related technology and insufficient expression ability of the simultaneous equation method of the process simulation software when processing complex solid materials.

[0122] In the simulation device of coal gasification reaction provided in an embodiment of the present application, the processing module is also used to divide the reaction materials into components to obtain component division results, wherein the component division results include: fluid components, non-fluid and conventional components, and non-fluid and unconventional components, wherein the fluid components are used to represent chemical substances existing in the reaction materials in the form of gas or liquid, the non-fluid and conventional components are used to represent chemical substances existing in the reaction materials in the form of solids and can be characterized by conventional physical property data, and the non-fluid and unconventional components are used to represent chemical substances existing in the reaction materials in the form of solids and cannot be characterized by conventional physical property data; determine the unconventional properties of the non-fluid and unconventional components, and generate state variables corresponding to the unconventional properties, wherein the unconventional properties are properties that cannot be characterized by conventional physical property data, and the state variables are used to represent the state changes of the unconventional properties during the reaction process.

[0123] In the simulation device for coal gasification reaction provided in the embodiment of the present application, the processing module is also used to convert the chemical reaction equations in the reaction set into differential equations, and the differential equations are used to adapt the simultaneous equation method in the kinetic reactor, and the simultaneous equation method is used to jointly solve all chemical reaction equations in the reaction set.

[0124] In the simulation device for coal gasification reaction provided in the embodiment of the present application, the processing module is also used to convert the chemical reaction equation in the reaction set into a differential equation through a preset discretization method, wherein the preset discretization method includes at least one of the following: finite difference method and orthogonal configuration method.

[0125] In the simulation device of coal gasification reaction provided in the embodiment of the present application, the processing module is also used to obtain the flash type and phase change range configured by the user interface; determine the component status of the reaction material, and when the reaction material contains only one component, perform single-phase flash evaporation treatment on the reaction material according to the flash type and the phase change range, wherein the single-phase flash evaporation treatment is used to determine the phase change of a single component under preset reaction conditions; when the reaction material contains multiple components, perform multi-phase flash evaporation treatment on the reaction material according to the flash type and the phase change range, wherein the multi-phase flash evaporation treatment is used to determine the phase change of multiple components under preset reaction conditions.

[0126] In the simulation device for coal gasification reaction provided in the embodiment of the present application, the processing module is also used to determine the fluid mechanics parameters of the reaction materials at the reaction nodes; the fluid mechanics parameters are processed by a preset pressure drop formula to obtain the pressure drop change between the reaction nodes.

[0127] In the simulation device of coal gasification reaction provided in the embodiment of the present application, the processing module is also used to obtain the kinetic model configured by the user interface, and to obtain the thermodynamic parameters of the reaction materials during the reaction process, wherein the kinetic model includes at least one of the following: a power exponential kinetic model and an unreacted core shrinkage model; determining the component conditions of the reaction materials, and when the reaction materials contain only one component, processing the thermodynamic parameters through the kinetic model to obtain the reaction rate; when the reaction materials contain multiple components, generating bridging variables corresponding to the multiple components, and processing the thermodynamic parameters and the bridging variables through the kinetic model to obtain the reaction rate, wherein the bridging variables are used to represent variables corresponding to the interaction between the multiple components.

[0128] An embodiment of the present application further provides an electronic device, comprising: a memory and a processor, wherein the memory is used to store program instructions; the processor is connected to the memory and is used to execute the simulation method for realizing the above-mentioned coal gasification reaction.

[0129] It should be noted that the above electronic equipment is used to execute Figure 2 The simulation method of the coal gasification reaction shown in the figure, therefore the relevant explanations and instructions in the above simulation method of the coal gasification reaction are also applicable to the electronic device, and will not be repeated here.

[0130] An embodiment of the present application further provides a non-volatile storage medium, which includes a stored computer program, wherein a device where the non-volatile storage medium is located executes the above-mentioned method for simulating the coal gasification reaction by running the computer program.

[0131] It should be noted that the above non-volatile storage medium is used to execute Figure 2 The simulation method for coal gasification reaction shown in the figure, therefore the relevant explanations and instructions in the above simulation method for coal gasification reaction are also applicable to the non-volatile storage medium, and will not be repeated here.

[0132] The embodiment of the present application further provides a computer program product, including computer instructions, which implement the above-mentioned coal gasification reaction simulation method when executed by a processor.

[0133] It should be noted that the above-mentioned computer program product is used to execute Figure 2The simulation method for coal gasification reaction shown in the figure, therefore the relevant explanations and instructions in the above simulation method for coal gasification reaction are also applicable to the computer program product, which will not be repeated here.

[0134] The serial numbers of the above-mentioned embodiments of the present application are for description only and do not represent the advantages or disadvantages of the embodiments.

[0135] In the above embodiments of the present application, the description of each embodiment has its own emphasis. For parts that are not described in detail in a certain embodiment, please refer to the relevant description of other embodiments.

[0136] In the several embodiments provided in this application, it should be understood that the disclosed technical content can be implemented in other ways. Among them, the device embodiments described above are only schematic. For example, the division of the units can be a logical function division. There may be other division methods in actual implementation. For example, multiple units or components can be combined or integrated into another system, or some features can be ignored or not executed. Another point is that the mutual coupling or direct coupling or communication connection shown or discussed can be through some interfaces, indirect coupling or communication connection of units or modules, which can be electrical or other forms.

[0137] The units described as separate components may or may not be physically separated, and the components shown as units may or may not be physical units, that is, they may be located in one place or distributed on multiple units. Some or all of the units may be selected according to actual needs to achieve the purpose of the present embodiment.

[0138] In addition, each functional unit in each embodiment of the present application may be integrated into one processing unit, or each unit may exist physically separately, or two or more units may be integrated into one unit. The above-mentioned integrated unit may be implemented in the form of hardware or in the form of software functional units.

[0139] If the integrated unit is implemented in the form of a software functional unit and sold or used as an independent product, it can be stored in a computer-readable storage medium. Based on this understanding, the technical solution of the present application, in essence, or the part that contributes to the prior art or all or part of the technical solution can be embodied in the form of a software product, and the computer software product is stored in a storage medium, including a number of instructions to enable a computer device (which can be a personal computer, a server or a network device, etc.) to perform all or part of the steps of the method described in each embodiment of the present application. The aforementioned storage medium includes: U disk, read-only memory (ROM, Read-Only Memory), random access memory (RAM, Random Access Memory), mobile hard disk, disk or optical disk and other media that can store program codes.

[0140] The above is only a preferred implementation of the present application. It should be pointed out that for ordinary technicians in this technical field, several improvements and modifications can be made without departing from the principles of the present application. These improvements and modifications should also be regarded as the scope of protection of the present application.

Claims

1. A method for simulating a coal gasification reaction, characterized in that: include: Acquire a reaction set required for the coal gasification process, and determine the reaction materials and reaction conditions corresponding to the reaction set, wherein the reaction set is used to represent a set of chemical reaction equations related to the coal gasification process, and the reaction materials are used to represent the chemical substances corresponding to the reaction set; A kinetic reactor is used to process the reaction set and the reaction materials under the reaction conditions to obtain simulation results, wherein the simulation results are used to represent state parameters corresponding to the reaction set and the reaction materials, the kinetic reactor comprises an inlet, a reaction section and an outlet, the inlet is used to pretreat the reaction materials, the reaction section comprises a discretization module, a common flash module, a pressure drop calculation module and a reaction kinetics module, the outlet is used to generate the state parameters, the discretization module is used to discretize the internal space of the kinetic reactor into multiple reaction nodes, the common flash module is used to perform flash equilibrium calculation on the reaction materials at the reaction nodes, the pressure drop calculation module is used to determine the pressure drop change between the reaction nodes, and the kinetic module is used to determine the reaction rate of the reaction nodes.

2. The method according to claim 1, characterized in that The inlet is used to pre-treat the reaction material, including: Dividing the reaction material into components to obtain component division results, wherein the component division results include: fluid components, non-fluid and conventional components, and non-fluid and unconventional components, wherein the fluid components are used to represent chemical substances existing in the reaction material in gaseous or liquid form, the non-fluid and conventional components are used to represent chemical substances existing in the reaction material in solid form and can be characterized by conventional physical property data, and the non-fluid and unconventional components are used to represent chemical substances existing in the reaction material in solid form and cannot be characterized by conventional physical property data; Determine the unconventional properties of the non-fluid and unconventional component, and generate state variables corresponding to the unconventional properties, wherein the unconventional properties are properties that cannot be represented by conventional physical property data, and the state variables are used to represent the state changes of the unconventional properties during the reaction process.

3. The method according to claim 1, characterized in that: The discretization module is also used to convert the chemical reaction equations in the reaction set into differential equations, and the differential equations are used to adapt the simultaneous equation method in the kinetic reactor, and the simultaneous equation method is used to jointly solve all chemical reaction equations in the reaction set.

4. The method according to claim 3, characterized in that Converting the chemical reaction equations in the reaction set into differential equations includes: The chemical reaction equations in the reaction set are converted into differential equations by a preset discretization method, wherein the preset discretization method includes at least one of the following: a finite difference method and an orthogonal collocation method.

5. The method according to claim 1, characterized in that The common flash module is used to perform flash equilibrium calculation on the reaction material at the reaction node, including: Get the flash type and phase change range configured in the user interface; Determine the component of the reaction material, and when the reaction material contains only one component, perform a single-phase flash evaporation treatment on the reaction material according to the flash evaporation type and the phase change range, wherein the single-phase flash evaporation treatment is used to determine the phase change of a single component under preset reaction conditions; When the reaction material contains multiple components, the reaction material is subjected to multiphase flash treatment according to the flash type and the phase change range, wherein the multiphase flash treatment is used to determine the phase change of multiple components under the preset reaction conditions.

6. The method according to claim 1, characterized in that The pressure drop calculation module is used to determine the pressure drop change between the reaction nodes, including: Determining the fluid mechanics parameters of the reaction material at the reaction node; The fluid mechanics parameters are processed by a preset pressure drop formula to obtain the pressure drop change between the reaction nodes.

7. The method according to claim 1, characterized in that The kinetic module is used to determine the reaction rate of the reaction node, including: Obtaining a kinetic model configured in the user interface, and obtaining thermodynamic parameters of the reaction material during the reaction process, wherein the kinetic model includes at least one of the following: a power exponential kinetic model and an unreacted core shrinkage model; Determining the components of the reaction material, and when the reaction material contains only one component, processing the thermodynamic parameters by the kinetic model to obtain the reaction rate; When the reaction material contains multiple components, bridging variables corresponding to the multiple components are generated, and the thermodynamic parameters and the bridging variables are processed by the kinetic model to obtain the reaction rate, wherein the bridging variables are used to represent variables corresponding to the interaction between the multiple components.

8. A simulation device for coal gasification reaction, characterized in that: include: An acquisition module, used to acquire a reaction set required for the coal gasification process, and determine reaction materials and reaction conditions corresponding to the reaction set, wherein the reaction set is used to represent a set of chemical reaction equations related to the coal gasification process, and the reaction materials are used to represent chemical substances corresponding to the reaction set; A processing module is used to use a kinetic reactor to process the reaction set and the reaction materials under the reaction conditions to obtain simulation results, wherein the simulation results are used to represent state parameters corresponding to the reaction set and the reaction materials, the kinetic reactor includes an inlet, a reaction section and an outlet, the inlet is used to pre-treat the reaction materials, the reaction section includes a discretization module, a common flash module, a pressure drop calculation module and a reaction kinetics module, the outlet is used to generate the state parameters, the discretization module is used to discretize the internal space of the kinetic reactor into multiple reaction nodes, the common flash module is used to perform flash equilibrium calculation on the reaction materials at the reaction nodes, the pressure drop calculation module is used to determine the pressure drop change between the reaction nodes, and the kinetic module is used to determine the reaction rate of the reaction nodes.

9. An electronic device, characterized in that: include: A memory and a processor, wherein the memory is used to store program instructions; The processor is connected to the memory and is used to execute the simulation method for realizing the coal gasification reaction as described in any one of claims 1 to 7.

10. A non-volatile storage medium, characterized in that: The non-volatile storage medium includes a stored computer program, wherein the device where the non-volatile storage medium is located executes the method for simulating a coal gasification reaction according to any one of claims 1 to 7 by running the computer program.

11. A computer program product comprising computer instructions, characterized in that: When the computer instructions are executed by a processor, the method for simulating a coal gasification reaction according to any one of claims 1 to 7 is implemented.

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