A coal gasification simulation method and device based on simultaneous equations method

Abstract

This disclosure provides a coal gasification simulation method and apparatus based on the simultaneous equation method. The method includes: determining the unit operation modules and their connections based on user-selected unit operation modules and the connection configurations between them; determining the module calculation equations based on the user-configured reaction equations and / or unit operation module models to establish a coal gasification simulation model; obtaining user-defined correction configuration formulas using a simple calculator module; connecting the output of each correction configuration formula to the parameters or variables to be connected in the module calculation equations through the target connection equations to achieve the correction of the parameters or variables to be corrected; and solving the simulation variables based on the simultaneous equation method. This disclosure not only ensures the scalability of the model but also lowers the modeling threshold. Furthermore, by employing the simultaneous equation method, it significantly improves computational efficiency and convergence speed, adapting to the needs of online real-time optimization.

Description

Technical Field

[0001] The present disclosure relates to the field of coal chemical industry, and in particular to a coal gasification simulation method and device based on simultaneous equations method. Background Art

[0002] Coal gasification refers to the process in which solid fuels such as coal, coke, and semi-coke undergo a series of homogeneous and heterogeneous reactions under high temperature conditions with water vapor and oxygen as gasifying agents, and are ultimately converted into gas products (mainly carbon monoxide, hydrogen, carbon dioxide, and methane, etc.) and a small amount of residue. It is one of the important processes in coal chemical industry. Modeling and simulating the coal gasification process helps engineers to deeply understand the mechanism of coal gasification reactions, simulate and optimize production processes, and monitor and optimize the operation of coal gasification devices in real time.

[0003] Since coal gasification reactions involve complex gas-solid reactions, general process simulation software is difficult to model. In this regard, there are two main existing solutions: the first method is to use external subroutines to build custom reaction sets in the reactor for calculation. This method has high requirements for process personnel and is very complicated to operate; the second method is to use proprietary reaction modules for calculation, but this type of model has poor scalability and is difficult to adapt to different working conditions and parameter changes. In addition, the existing solutions for coal gasification process simulation mostly use the sequential module method. The sequential module method has problems of low computational efficiency and slow operation speed when dealing with complex cycles, and is difficult to apply to the field of real-time optimization.

[0004] Therefore, the existing technology has limitations in terms of scalability, ease of use and computational efficiency of coal gasification reaction models. Summary of the invention

[0005] The present disclosure provides a coal gasification simulation method and device based on the simultaneous equation method. By using a modeling method based on the unreacted core shrinkage kinetic model and combining it with modeling in the form of modifiable parameters, the model can be flexibly adapted to the user's coal gasification modeling needs. This method not only ensures the scalability of the model, but also effectively lowers the modeling threshold.

[0006] In a first aspect, the present disclosure provides a coal gasification simulation method based on a simultaneous equation method, the method comprising: Step S1: determining the connection between the unit operation modules and the connection configuration between the unit operation modules selected by the user; Step S2: the model building module establishes a coal gasification simulation model based on the reaction equation of the unit operation module configured by the user and / or the calculation equation of the unit operation module model determination module; Step S3: the simple calculator module obtains the correction configuration formula set by the user, and connects the output of each correction configuration formula with the parameter or variable to be connected in the module calculation equation through the target connection equation, thereby realizing the correction of the parameter or variable to be corrected; Step S4: solving simulation variables based on the simultaneous equation method; The parameters or variables to be modified are inputs or parameters in the modification configuration formula, or are the parameters or variables to be connected.

[0007] Optionally, in step S1, determining the connection between the unit operation modules and the connection configuration between the unit operation modules according to the unit operation modules selected by the user includes: Responsive to a user selecting a first recommended configuration of unit operation modules and connections between the unit operation modules through a graphical user interface, connections between the unit operation modules and the unit operation modules are determined.

[0008] Optionally, the first recommended configuration includes: the first reactor serves as a pyrolysis section, and pyrolysis produces volatile gases and coke; the volatile gases are mixed with oxygen and enter the second reactor for combustion, and the second reactor serves as a combustible gas combustion section to obtain combustion products; the coke enters the third reactor for conversion to obtain C, H2, O2, N2, S and ash, and the third reactor serves as a component conversion section; the components of the component conversion section are mixed with the combustion products and water vapor and enter the fourth reactor for reaction, and the fourth reactor serves as a multiphase gasification section, and the multiphase gasification section includes gas-solid reaction and combustion reaction.

[0009] Optionally, in step S2, the model building module establishes a coal gasification simulation model based on the reaction equation of the unit operation module configured by the user and / or the calculation equation of the unit operation module model determination module, including: In response to the reaction equation of the unit operation module and / or the second recommended configuration of the unit operation module model selected by the user through the graphical user interface, the module calculation equation is determined and the coal gasification simulation model is established.

[0010] Optionally, in step S2, the module calculation equation is set as follows: the gas-solid reaction in the multiphase gasification stage is modeled using an unreacted core shrinkage model, and the reaction kinetic equation is as follows:

[0011] In the formula, is the reaction rate, is the reaction coefficient, used to express the base conversion of reaction rate or reaction activity coefficient, is the overall reaction rate, represents effective concentration, or represents effective partial pressure, or represents effective molar fraction; Overall reaction rate The calculation formula is as follows:

[0012] In the formula, is the air film diffusion constant, is the gray film diffusion constant, is the surface reaction rate constant, is the unreacted nuclear radius Total particle radius including the ash layer ratio.

[0013] Optionally, the film diffusion constant The calculation formula is as follows:

[0014] In the formula, A , B , C , D , E , F , G represents the film diffusion constant The constant in the calculation formula is, is the stoichiometric proportional coefficient factor of the gas-solid reaction in the multiphase gasification stage, is the pressure (Pa), is the particle diameter (m), T f is the fluid temperature (K), T s is the solid surface temperature (K), T m is the average temperature of the solid and the fluid (K).

[0015] Optionally, in step S3, the user selects to use the recommended formula through a graphical user interface; the parameter or variable to be corrected includes at least one of the following parameters or variables: unreacted nuclear radius Total particle radius including the ash layer Ratio parameter , Stoichiometric proportionality factor of gas-solid reaction in multiphase gasification stage , residence time in the unreacted core shrinkage model , as well as the yield of each component at the outlet of the pyrolysis section and the coal quality analysis results.

[0016] Optionally, the simple calculator module also includes an integrated target connection equation; the target connection equation is as follows:

[0017] in, represents the output of the modified configuration formula in the simple calculator module, Indicates the parameters or variables to be connected in the block calculation equation.

[0018] Optionally, the step S3: solving simulation variables based on the simultaneous equation method includes: The module calculation equations in each unit operation module, the correction configuration formula in the simple calculator module, the target connection equation and the module connection equation are combined, and the solver is called to solve the simulation variables.

[0019] In a second aspect, the present disclosure provides a coal gasification simulation device based on the simultaneous equations method, the device is used to execute the coal gasification simulation method based on the simultaneous equations method, the device comprising: A process construction module, used for determining the unit operation modules and the connection between the unit operation modules according to the unit operation modules and the connection configuration between the unit operation modules selected by the user; A model building module, used to build a coal gasification simulation model based on the reaction equation of the unit operation module configured by the user and / or the calculation equation of the unit operation module model determination module; A simple calculator module is used to obtain the correction configuration formula set by the user, and connect the output of each correction configuration formula with the parameter or variable to be connected in the module calculation equation through the target connection equation, thereby realizing the correction of the parameter or variable to be corrected; The simulation variable solving module is used to solve the simulation variables based on the simultaneous equation method.

[0020] The beneficial effects of the present disclosure are that, compared with the prior art, the present disclosure has the following advantages: 1) Since the coal gasification reaction involves complex gas-solid reactions, it is difficult for traditional methods to effectively handle these complex processes. The coal gasification simulation method provided by the present disclosure integrates a multiphase gasification section unit operation module based on the unreacted core shrinkage model and the POWERLAW kinetic model in the process simulation software, and on this basis, further provides parameter or variable correction configuration. By integrating the multiphase gasification section unit operation module based on the unreacted core shrinkage model and the POWERLAW kinetic model + the introduction of parameter or variable correction configuration, it is ensured that the model can be adapted to the coal gasification reaction modeling, and at the same time improves the scalability of the model and the reusability of the model. In addition, the user only needs to select or configure the module in the editable graphical user interface and set the correction configuration formula to realize the coal gasification process simulation modeling, parameter or variable correction and connection. Compared with the traditional method of using external subroutines, the modeling threshold is greatly reduced, so that users can realize coal gasification reaction modeling in general process simulation software without development work, and improve the convenience and operability of the modeling and simulation process.

[0021] 2) The coal gasification simulation method provided in the present invention constructs a pyrolysis section, a combustible gas combustion section, a multiphase gasification section and a quenching chamber according to the mechanism model of the coal gasification reaction. On this basis, in order to facilitate the simulation of solid reactions, a component conversion section for converting coke into C, H2, O2, N2, S and ash is added. In addition, the unreacted core shrinkage model + POWERLAW kinetic model is used for modeling in the multiphase gasification section to ensure that the model is closer to the actual reaction process, thereby improving the accuracy of the simulation.

[0022] 3) In the coal gasification simulation method provided by the present disclosure, some parameters in the calculation equation are set as user-configurable parameters and displayed to the user through a graphical user interface. The user can input the set values ​​of the user-configurable parameters through the graphical user interface to achieve flexible configuration of the parameters to meet the needs of different coal gasification reaction simulations.

[0023] 4) The coal gasification simulation method provided by the present disclosure adopts the simultaneous equation method for solving, and all equations are processed simultaneously by the solver, avoiding the step-by-step calculation problem of the sequential module method, significantly improving the calculation efficiency and convergence speed, and meeting the needs of online real-time optimization. BRIEF DESCRIPTION OF THE DRAWINGS

[0024] The accompanying drawings, which are incorporated in and constitute a part of this specification, illustrate embodiments consistent with the present disclosure and, together with the description, serve to explain the principles of the present disclosure.

[0025] Figure 1 A schematic diagram of a flow chart of a coal gasification simulation method based on a simultaneous equation method provided in an embodiment of the present disclosure; Figure 2 A schematic diagram of gasification furnace partitions provided in an embodiment of the present disclosure; Figure 3 A schematic diagram of a coal gasification process simulation model provided in an embodiment of the present disclosure; Figure 4 Schematic diagram of the unreacted nuclear shrinkage model provided in an embodiment of the present disclosure.

[0026] Figure 5 A schematic structural diagram of a coal gasification simulation device based on a simultaneous equations method is provided in an embodiment of the present disclosure.

[0027] The above drawings show clear embodiments of the present disclosure, which will be described in more detail below. These drawings and text descriptions are not intended to limit the scope of the present disclosure in any way, but to illustrate the concepts of the present disclosure to those skilled in the art by referring to specific embodiments. DETAILED DESCRIPTION

[0028] The present disclosure is further described below in conjunction with the accompanying drawings. The following embodiments are only used to more clearly illustrate the technical solution of the present disclosure, and cannot be used to limit the protection scope of the present disclosure.

[0029] Terminology explanation: Yield Reactor: A reactor used to specify the yield of each component. This is useful for reactions where the stoichiometry and kinetics are unknown but the yield distribution data or calibration are known.

[0030] Stoichiometric reactor: A reactor used to simulate a reaction process by specifying the stoichiometric coefficient and reaction extent. It is suitable for reaction processes where the reaction kinetics are unknown or unimportant, but the stoichiometric coefficient and reaction extent are known.

[0031] Plug flow reactor: A plug flow reactor used to process reaction kinetics based on reaction rate.

[0032] Unreacted core shrinkage model: A model used to describe the kinetics of fluid and solid reactions where the reaction occurs on the particle surface, such as Figure 4 As shown, during the reaction process, the reaction first occurs on the particle surface, and the reaction area gradually moves into the solid, leaving behind completely converted substances and inert solid substances, which are called ash. Therefore, as the reaction continues, the reaction core continues to shrink. The reaction part is divided into three areas: air film, ash, and unreacted core.

[0033] Stoichiometric coefficient: In a reaction equation, the coefficient before the substances involved in the reaction is called the stoichiometric coefficient. In fact, in practice, it is the balance of the equation. If the equation is balanced by the method of undetermined coefficients, the number obtained is its coefficient, that is, the stoichiometric coefficient.

[0034] Stoichiometric ratio: refers to the molar ratio between reactants and products, that is, the ratio between stoichiometric coefficients. For example, in the reaction equation In the equation, the stoichiometric ratio between hydrogen and oxygen is 2:1, the ratio between hydrogen and water is 2:2 (or simplified to 1:1), and the ratio between oxygen and water is 1:2.

[0035] Unit operation module: In chemical reaction process simulation, the unit operation module refers to the basic component or functional module of a specific operation in the process, with a mathematical model of input, output and operation; each unit operation module usually represents a physical or chemical process and performs a specific task, such as reaction, separation, mixing, heating, cooling, etc.; the unit operation module helps describe and simulate the various stages and functions in the chemical process.

[0036] Module calculation equations: mathematical equations used to describe various physical and chemical changes in chemical engineering or chemical processes, usually based on physical laws (such as conservation of mass, conservation of energy, conservation of momentum, etc.) and chemical principles (such as chemical reaction kinetics), used for quantitative analysis and simulation of various phenomena and behaviors in chemical processes, including but not limited to reaction kinetics equations, residence time equations, material balance equations and energy balance equations.

[0037] Simultaneous equation method: In chemical simulation, it refers to describing the state or behavior of a system by solving a set of simultaneously valid equations. These equations usually include material balance, energy balance, reaction kinetics equations and connection equations, etc., which are used to simulate complex chemical processes. Example

[0038] Existing process simulation platforms include AspenPlus and ROMeo, etc. The coal gasification simulation method disclosed in the present invention is a further functional development and optimization based on the existing process simulation platform.

[0039] like Figure 1 As shown, the present disclosure provides a coal gasification simulation method based on the simultaneous equation method, which is applied to a process simulation platform. The method includes: Step S1: determining the connection between the unit operation modules and the connection configuration between the unit operation modules selected by the user; Specifically, the process construction module provides a first recommended configuration of the unit operation module based on the coal gasification reaction mechanism model and the connection between the unit operation modules, and at the same time, provides an interface to receive the user's input of the custom configuration, and displays it to the user through a graphical user interface, and the user can choose to use the first recommended configuration or input the custom configuration through the graphical user interface. The configuration includes selecting the unit operation module, configuring the connection between the unit operation modules, etc.

[0040] It is understandable that according to the mechanism model of coal gasification reaction, the coal gasifier can be divided into pyrolysis section, combustible gas combustion section, multiphase gasification section and quenching chamber. Figure 2 shown.

[0041] On this basis, in order to facilitate the simulation of solid reactions, a new component conversion section for converting coke into C, H2, O2, N2, S and ash is added.

[0042] In a preferred embodiment, in step S1, determining the connection between the unit operation modules and the connection configuration between the unit operation modules selected by the user comprises: determining connections between unit operation modules and the unit operation modules in response to a first recommended configuration of the unit operation modules and the connections between the unit operation modules selected by a user through a graphical user interface; Among them, the first recommended configuration includes: the first reactor 1 serves as a pyrolysis section, pyrolysis produces volatile gases and coke, the volatile gases are mixed with oxygen and enter the second reactor 5 for combustion, the second reactor 5 serves as a combustible gas combustion section to obtain combustion products; the coke enters the third reactor 4 for conversion to obtain C, H2, O2, N2, S and ash, the third reactor 4 serves as a component conversion section; the components and combustion products and water vapor in the component conversion section enter the mixer 6 for mixing, the coke and combustion products and water vapor are mixed, and enter the fourth reactor 7 for reaction, the fourth reactor 7 serves as a multiphase gasification section, and the multiphase gasification section includes gas-solid reaction and combustion reaction.

[0043] Further optionally, the first recommended configuration specifically includes: the coal feed stream is connected to the first reactor 1 as a pyrolysis section, pyrolysis produces volatile gases and coke, and the volatile gases and coke are separated by a component separator 2, wherein the volatile gases are mixed with oxygen through a mixer 3, and enter the second reactor 5 for combustion, and the second reactor 5 serves as a combustible gas combustion section, and the obtained combustion products enter the mixer 6; the coke separated by the component separator enters the third reactor 4 for conversion to obtain C, H2, O2, N2, S and ash, and the third reactor 4 serves as a component conversion section; the components of the component conversion section, the combustion products and water vapor enter the mixer 6 for mixing, and enter the fourth reactor 7 for reaction to produce gas products, and the fourth reactor 7 serves as a multi-phase gasification section.

[0044] Easy to understand, such as Figure 3 As shown, in this embodiment, the unit operation module includes a first reactor 1, a component separator 2, a mixer 3, a second reactor 5, a mixer 6, a third reactor 4 and a fourth reactor 7.

[0045] Step S2: the model building module establishes a coal gasification simulation model based on the reaction equation of the unit operation module configured by the user and / or the calculation equation of the unit operation module model determination module; Specifically, the model building module provides a second recommended configuration of the reaction equation and / or the unit operation module model, and provides an interface to receive a custom configuration input by a user, and displays it to the user through a graphical user interface, and the user can choose to use the second recommended configuration or input a custom configuration through the graphical user interface. The configuration includes configuring the reaction equation, selecting the unit operation module model, etc.

[0046] Specifically, in step S2, after the user selects the reaction equation and / or unit operation module model through the graphical user interface, the model construction module can determine the corresponding module calculation equation according to the built-in preset matching relationship and display it to the user through the graphical user interface.

[0047] In an optional embodiment, step S2: the model building module establishes a coal gasification simulation model based on the reaction equation of the unit operation module configured by the user and / or the calculation equation of the unit operation module model determination module, including: In response to the reaction equation of the unit operation module and / or the second recommended configuration of the unit operation module model selected by the user through the graphical user interface, the module calculation equation is determined and the coal gasification simulation model is established; As a preferred recommended configuration, the fourth reactor 7 corresponding to the multiphase gasification stage is modeled using a plug flow reactor.

[0048] Specifically, the multiphase gasification section is used to simulate the reaction zone where the gas-solid reaction occurs, which is also accompanied by combustion reaction and other reactions, and ultimately generates gas products and a small amount of residue. The gas products include hydrogen (H2), carbon monoxide (CO), carbon dioxide (CO2), methane (CH4), etc.

[0049] Combustion reactions include one or more of the following:

[0050]

[0051]

[0052]

[0053] Gas-solid reactions include one or more of the following reactions:

[0054]

[0055]

[0056]

[0057]

[0058] Other reactions include:

[0059]

[0060] in It represents the proportional coefficient factor of the stoichiometric relationship of the gas-solid reaction in the multiphase gasification stage.

[0061] Next, in response to the reaction equation of the multiphase gasification section selected by the user and the second recommended configuration of the reactor model, the module calculation equation is determined according to the built-in preset matching relationship. The module calculation equation is as follows: The gas-solid reaction in the multiphase gasification stage is a homogeneous reaction and is modeled using the unreacted core shrinkage model, while the combustion reaction and other reactions are homogeneous reactions and are modeled using the POWERLAW kinetic model.

[0062] The unreacted core shrinkage model is used to describe the reaction between fluid and particles, such as Figure 3 As shown, during the reaction process, the reaction first occurs on the surface of the particles, and the reaction area gradually moves into the interior of the solid, leaving behind completely converted substances and inert solid substances, which are called ash. Therefore, as the reaction continues, the core of the reaction continues to shrink. The unreacted core shrinkage model divides the reaction into three regions: air film, ash, and unreacted core. The reaction kinetic equation is as follows:

[0063] in, is the reaction rate, is the reaction coefficient, which is used to represent the benchmark conversion of the reaction rate or the reaction activity coefficient, and can be used as a parameter to be corrected by the user; k total is the overall reaction rate, Δ C represents the effective concentration, or represents the effective partial pressure, or represents the effective molar fraction.

[0064] Overall reaction rate The calculation formula is as follows:

[0065] It can be understood that the reaction kinetics equation represents the heterogeneous reaction rate equation, where, is the air film diffusion constant, is the gray film diffusion constant, is the surface reaction rate constant, is the unreacted nuclear radius Total particle radius including the ash layer Parameters It can be used as a parameter to be modified for users to modify the connection.

[0066] Air film diffusion constant The calculation formula is as follows:

[0067] In the formula,A , B , C , D , E , F , G represents the film diffusion constant k diff The constant in the calculation formula is, It is the stoichiometric proportional coefficient factor of the gas-solid reaction in the multiphase gasification stage, which can be used as a parameter to be corrected for users to make corrections and connections. P is the pressure (Pa), d p is the particle diameter (m), T f is the fluid temperature (K), T s is the solid surface temperature (K), T m is the average temperature of the solid and the fluid (K).

[0068] The average temperature of the solid and fluid is T m The calculation formula is as follows:

[0069] Gray film diffusion constant The calculation formula is as follows:

[0070] In the formula, is the gray film diffusion constant, is the porosity of the ash layer, represents the gray film diffusion exponential constant.

[0071] Surface reaction rate constant The calculation formula is as follows:

[0072] In the formula, represents the surface reaction rate constant, where and express Parameters, Represents the solid surface temperature.

[0073] Among them, the effective concentration The calculation formula is as follows:

[0074] In the formula, Δ C is the effective concentration, and Respectively, reactants and products The molar concentration, molar fraction, or effective partial pressure; and Respectively, reactants and products Concentration index; and The indices representing the positive driving force and the reverse driving force respectively; and They represent the coefficients of the forward thrust and the reverse thrust respectively.

[0075] K FOR and K REV The calculation formula can be calculated using the following formula:

[0076]

[0077] In the formula, , , , is the equilibrium constant of the reversible gas-solid reaction, is the solid surface temperature.

[0078] Optionally, the combustion reaction and other reactions in the multiphase gasification stage are modeled using the POWERLAW kinetic model, and the reaction rates calculated using POWERLAW Multiply by the reaction coefficient , and the reaction rate ,in It is used to represent the active coefficient or the coefficient of the reference conversion. This coefficient can be used as a parameter to be modified for the user to modify the connection.

[0079] The kinetic equation is as follows:

[0080] As a preferred recommended configuration, the pyrolysis section is used to simulate the reaction zone where the pyrolysis reaction occurs. In this reaction zone, coal decomposes when heated to a high temperature, producing volatile substances containing combustible gases and coke (Char). Volatile substances include hydrogen (H2), carbon monoxide (CO), carbon dioxide (CO2), water (H2O), methane (CH4), hydrogen sulfide (H2S), nitrogen (N2) and tar (represented here by C6H6), etc. The reaction equation is as follows:

[0081] Among them, Coal represents coal, Char represents coke, and C6H6 represents tar. , , , , , , , , Represents the stoichiometric coefficient of the reaction equation.

[0082] The first reactor 1 corresponding to the pyrolysis stage is simulated using a yield reactor. The module calculation equations involve material balance equations and energy balance equations, which include key parameters such as the yield of each component at the outlet and coal quality analysis results.

[0083] Specifically, the yield includes the yield of coke, CO, H2, CO2, H2O and other compounds, and the coal quality analysis includes total moisture, fixed carbon, volatile matter, ash of industrial analysis, and carbon, hydrogen, oxygen, nitrogen, sulfur and other analysis items of elemental analysis. Among them, the yield of each component of the export and the coal quality analysis results can be used as parameters to be corrected for users to make correction connections.

[0084] As a preferred recommended configuration, the volatile gas generated by coal pyrolysis enters the combustible gas combustion section for combustion, wherein the volatile gases CO, H2, CH4, and C6H6 are combustible gases. The combustible gas combustion section is used to simulate the combustion reaction. The reaction equation is as follows:

[0085]

[0086]

[0087]

[0088] The second reactor 5 corresponding to the combustible gas combustion section is modeled using a metering reactor. The module calculation equation involves a material balance equation and an energy balance equation, etc. For example, it is assumed that the reaction degree of the combustion reaction is 1.0.

[0089] As a preferred recommended configuration, the component conversion section is used to simulate the process of converting coke into C, H2, O2, N2, S and ash. The reaction equation is as follows:

[0090] in, Represents coke, Indicates ash content, , , , , , Represents the stoichiometric coefficient of the reaction equation.

[0091] The third reactor 4 corresponding to the component conversion section is simulated by a metering reactor. The module calculation equations involve material balance equations and energy balance equations, which are easy to understand. These equations include stoichiometric coefficients, wherein the stoichiometric coefficients can be used as parameters to be corrected for users to make correction connections.

[0092] It should be noted that the component conversion section is not an actual section, but a section set up for the convenience of modeling.

[0093] Optionally, the model building module sets some parameters in the module calculation equation as user-configurable parameters and displays them to the user through a graphical user interface. The user can input set values ​​of the user-configurable parameters through the graphical user interface to achieve flexible configuration of parameters to meet different gasification reaction simulation requirements.

[0094] For example, the above film diffusion constant k diff Calculate constants in formulas A , B , C , D , E , F , G Set as user-configurable parameters, and / or, set the equilibrium constant of the above gas-solid reaction reversible reaction , , , Set as user-configurable parameters for users to enter set values ​​for corresponding constants.

[0095] It should be noted that the existing technology can be used for the modeling method of the quenching chamber, and the present disclosure does not make any specific limitation on this.

[0096] Since the coal gasification reaction involves complex gas-solid reactions, the general unit operation modules in the existing process simulation platform are difficult to meet its modeling requirements. In this regard, this embodiment greatly reduces the difficulty of modeling the coal gasification reaction by integrating a multiphase gasification section unit operation module based on the unreacted core shrinkage model and the POWERLAW kinetic model in the process simulation software, so that users do not need additional development work, and only need to select or configure modules in the graphical user interface to achieve efficient process simulation, which significantly improves the convenience and operability of the modeling and simulation process.

[0097] Step S3: the simple calculator module obtains the correction configuration formula set by the user, and connects the output of each correction configuration formula with the parameter or variable to be connected in the module calculation equation through the target connection equation, thereby realizing the correction of the parameter or variable to be corrected; The parameter or variable to be modified may be an input (independent variable) or parameter in the modification configuration formula, or may be the parameter or variable to be connected.

[0098] Specifically, the simple calculator module provides the correction configuration and connection operation of the parameters or variables to be corrected. For the parameters or variables to be corrected, the simple calculator module provides a recommended formula for the correction configuration formula, and provides an interface to receive the custom configuration input by the user, which is displayed to the user through a graphical user interface. The user can choose to use the recommended formula or input the custom configuration through the graphical user interface. Thus, it is convenient for the user to perform the configuration and connection operation of parameter correction.

[0099] In addition, the simple calculator module includes integrated target connection equations, which automatically connect parameters or variables after determining the correction configuration formula.

[0100] The target connection equation is as follows:

[0101] in, X src represents the output (i.e., dependent variable) of the modified configuration formula in the simple calculator module, X dest Indicates the parameters or variables to be connected in the block calculation equation.

[0102] In this embodiment, the parameter or variable to be corrected may include at least one of the following parameters or variables: (1) Unreacted nuclear radius Total particle radius including the ash layer Ratio parameter

[0103] Exemplarily, for the unreacted nuclear radius to be corrected Total particle radius including the ash layer Ratio parameter , set the correction configuration formula through the simple calculator module, and correct the output of the configuration formula The conversion rate is estimated using the following calculation formula:

[0104] Wherein, x is the conversion rate based on dry mineral-free basis coal (DMMF coal) at any time after pyrolysis is completed, and f is the conversion rate based on dry mineral-free basis coal (DMMF coal) when pyrolysis is completed.

[0105] Calculated The unreacted core radius to be corrected in the kinetic equation of the unreacted core contraction model by connecting the equation with variables Total particle radius including the ash layer Ratio parameter .

[0106] (2) Stoichiometric proportionality factor of gas-solid reaction in multiphase gasification stage

[0107] It can be understood that the stoichiometric proportionality factor of the gas-solid reaction in the multiphase gasification stage is Related to the particle diameter and temperature, for example, the stoichiometric proportionality factor for the gas-solid reaction in the multiphase gasification stage to be corrected is , set the correction configuration formula through the simple calculator module, and calculate the output of the correction configuration formula through the particle diameter and temperature and connect it to the corresponding variable.

[0108] therefore, The calculation formula is as follows:

[0109] in,

[0110] In the formula, d p represents the particle diameter (m), Z represents the measurement factor parameter, T m Indicates the average temperature of solids and fluids (K).

[0111] Calculated The proportionality factor of the stoichiometric relationship between the equation and the gas-solid reaction in the multiphase gasification stage through the variable connection equation connected.

[0112] (3) Duration of stay

[0113] In the reactor of the unreacted core shrinkage model, there are two key factors, reaction kinetics and residence time, which together determine the extent of the reaction, the formation of products, and the concentration at the reactor outlet. Among them, the residence time can be modified by the user.

[0114] For example, for the residence time to be corrected , set the correction configuration formula through the simple calculator module, the correction configuration formula is as follows:

[0115] In the formula, is the length of the gasifier (m), is the gas volume flow rate of gasifier (m 3 / s), is the residence time (s), is the equivalent diameter of the gasifier reactor (m).

[0116] The equivalent diameter of the gasifier reactor The calculation result is connected with the equivalent diameter of the gasifier reactor in the module calculation equation, and the residence time is corrected accordingly. .

[0117] It should be noted that in the multiphase gasification stage, the coal powder particles flow out of the gasifier reactor with the gas, so the particle sedimentation can be considered to calculate the solid residence time. For example, the residence time is calculated using Newton's second law or the Stockes formula. .

[0118] (4) Yield of each component at the outlet of the pyrolysis section and coal quality analysis results Exemplarily, for the yield of each component at the outlet of the pyrolysis section and the coal quality analysis results, the output of the corrected configuration formula is calculated based on the pressure of the yield reactor 1 and the coal quality analysis results of the upstream coal, and the output of the corrected configuration formula is connected to the yield of each component at the outlet and the coal quality analysis results in the module calculation equation of the yield reactor 1.

[0119] (5) Stoichiometric coefficients of component conversion section Exemplarily, for the stoichiometric coefficient of the component conversion section, the output of the modified configuration formula is calculated according to the content of each element in the elemental analysis, and the output of the modified configuration formula is connected to the stoichiometric coefficient in the metering reactor 4. The elements include carbon, hydrogen, oxygen, nitrogen, sulfur, etc.

[0120] (6) Reaction coefficient and the reaction coefficient

[0121] Further optionally, for the reaction coefficient to be corrected and the reaction coefficient , correction configuration is performed through a simple calculator module, and the specific correction configuration method can adopt existing conventional technology, and the present disclosure does not make specific limitations on this.

[0122] This embodiment integrates a multiphase gasification section unit operation module based on the unreacted core shrinkage model and the POWERLAW kinetic model in the process simulation software, and further provides parameter or variable correction configuration. By introducing the parameter or variable correction configuration, it is ensured that the model can be adapted to the coal gasification reaction modeling, while improving the scalability and reusability of the model. In addition, the user only needs to select or configure the module in the editable graphical user interface and set the correction configuration formula to realize the coal gasification process simulation modeling, parameter or variable correction and connection, which greatly reduces the modeling threshold and significantly improves the convenience and operability of the modeling and simulation process.

[0123] It is worth mentioning that in the coal gasification simulation method provided in this embodiment, modeling is performed by integrating a multiphase gasification section unit operation module type based on the unreacted core shrinkage model and the POWERLAW kinetic model + providing parameter or variable correction connection, which is one of the core innovations of the disclosed embodiment.

[0124] Step S4: solving simulation variables based on the simultaneous equation method; It can be understood that simulation variables refer to various variables related to process operation that need to be solved in the coal gasification simulation model, including component concentration, reaction rate, various physical parameters in the reactor, etc.

[0125] In some embodiments, the step S4: solving simulation variables based on the simultaneous equation method includes: The module calculation equations in each unit operation module, the correction configuration formula in the simple calculator module, the target connection equation and the module connection equation are combined, and the solver is called to solve the simulation variables.

[0126] Optionally, when solving the problem, the initial values ​​of the variables are first set, and the sequential quadratic programming (SQP) solver is used to iteratively solve the problem according to the residual equation, the current variable values ​​and the Jacobian matrix, and finally the global optimal solution is obtained. The initial values ​​of the variables can be obtained by estimation methods, literature references or experimental data.

[0127] Specifically, the module connection equation represents the connection equation between each unit operation module. In the two connected modules, the downstream inherits the coal quality analysis results of the upstream. The two are connected using the module connection equation, and its expression is as follows:

[0128] in, Indicates the analysis items of upstream coal quality analysis, Represents the analysis item for downstream coal quality analysis.

[0129] This embodiment adopts the simultaneous equation method to solve, writes all equations in the form of residual equations, and solves them simultaneously by the solver, thereby improving the calculation efficiency and convergence speed and meeting the requirements of online real-time optimization.

[0130] Example 2 like Figure 5 As shown, the present disclosure further provides a coal gasification simulation device based on the simultaneous equation method, which is used to execute the coal gasification simulation method based on the simultaneous equation method as described in Example 1, and the device includes: A process construction module 101 is used to determine the unit operation modules and the connections between the unit operation modules according to the unit operation modules and the connection configurations between the unit operation modules selected by the user; A model building module 102, for building a coal gasification simulation model based on a reaction equation of a unit operation module configured by a user and / or a calculation equation of a unit operation module model determination module; The simple calculator module 103 is used to obtain the correction configuration formula set by the user, and connect the output of each correction configuration formula with the parameter or variable to be connected in the module calculation equation through the target connection equation, thereby realizing the correction of the parameter or variable to be corrected; The simulation variable solving module 104 is used to solve the simulation variables based on the simultaneous equation method.

[0131] The device embodiments described above are merely illustrative, wherein the units described as separate components may or may not be physically separated, and the components displayed as units may or may not be physical units, that is, they may be located in one place, or they may be distributed on multiple network units. Some or all of the modules may be selected according to actual needs to achieve the purpose of the scheme of this embodiment. Ordinary technicians in this field can understand and implement it without paying creative labor.

[0132] Through the description of the above implementation methods, those skilled in the art can clearly understand that each implementation method can be implemented by means of software plus a necessary general hardware platform, and of course, it can also be implemented by hardware. Based on this understanding, the above technical solution is essentially or the part that contributes to the prior art can be embodied in the form of a software product, and the computer software product can be stored in a computer-readable storage medium, such as ROM / RAM, a disk, an optical disk, etc., including a number of instructions for a computer device (which can be a personal computer, a server, or a network device, etc.) to execute the methods described in each embodiment or some parts of the embodiments.

[0133] It should be understood that the above embodiments are only used to illustrate the technical solutions of the present disclosure, rather than to limit them. Although the present disclosure has been described in detail with reference to the aforementioned embodiments, those skilled in the art should understand that they can still modify the technical solutions described in the aforementioned embodiments, or make equivalent replacements for some of the technical features therein. However, these modifications or replacements do not deviate the essence of the corresponding technical solutions from the spirit and scope of the technical solutions of the embodiments of the present disclosure.

Claims

1. A coal gasification simulation method based on simultaneous equations method, characterized in that: The method comprises: Step S1: determining the connection between the unit operation modules and the connection configuration between the unit operation modules selected by the user; Step S2: the model building module establishes a coal gasification simulation model based on the reaction equation of the unit operation module configured by the user and / or the calculation equation of the unit operation module model determination module; Step S3: the simple calculator module obtains the correction configuration formula set by the user, and connects the output of each correction configuration formula with the parameter or variable to be connected in the module calculation equation through the target connection equation, thereby realizing the correction of the parameter or variable to be corrected; Step S4: solving simulation variables based on the simultaneous equation method; The parameters or variables to be modified are inputs or parameters in the modification configuration formula, or are the parameters or variables to be connected.

2. The coal gasification simulation method based on simultaneous equations method according to claim 1, characterized in that: In step S1, the step of determining the connection between the unit operation modules and the connection configuration between the unit operation modules selected by the user comprises: Responsive to a user selecting a first recommended configuration of unit operation modules and connections between the unit operation modules through a graphical user interface, connections between the unit operation modules and the unit operation modules are determined.

3. The coal gasification simulation method based on simultaneous equations method according to claim 2, characterized in that: The first recommended configuration includes: the first reactor (1) serves as a pyrolysis section, and pyrolysis produces volatile gases and coke; the volatile gases are mixed with oxygen and enter the second reactor (5) for combustion, and the second reactor (5) serves as a combustible gas combustion section to obtain combustion products; the coke enters the third reactor (4) for conversion to obtain C, H2, O2, N2, S and ash, and the third reactor (4) serves as a component conversion section; the components in the component conversion section are mixed with the combustion products and water vapor and enter the fourth reactor (7) for reaction, and the fourth reactor (7) serves as a multiphase gasification section, and the multiphase gasification section includes a gas-solid reaction and a combustion reaction.

4. The coal gasification simulation method based on simultaneous equations method according to claim 1, characterized in that: In step S2, the model building module establishes a coal gasification simulation model based on the reaction equation of the unit operation module configured by the user and / or the calculation equation of the unit operation module model determination module, including: In response to the reaction equation of the unit operation module and / or the second recommended configuration of the unit operation module model selected by the user through the graphical user interface, the module calculation equation is determined and the coal gasification simulation model is established.

5. The coal gasification simulation method based on simultaneous equations method according to claim 4, characterized in that: In step S2, the module calculation equation is set as follows: the gas-solid reaction in the multiphase gasification stage is modeled using the unreacted core shrinkage model, and the reaction kinetic equation is as follows: , where is the reaction rate, is the reaction coefficient, used to express the base conversion of reaction rate or reaction activity coefficient, is the overall reaction rate, represents effective concentration, or represents effective partial pressure, or represents effective molar fraction; Overall reaction rate The calculation formula is as follows: , where is the air film diffusion constant, is the gray film diffusion constant, is the surface reaction rate constant, is the unreacted nuclear radius Total particle radius including the ash layer ratio.

6. The coal gasification simulation method based on simultaneous equations method according to claim 5, characterized in that: Air film diffusion constant The calculation formula is as follows: , where A , B , C , D , E , F , G represents the film diffusion constant The constant in the calculation formula is, is the stoichiometric proportional coefficient factor of the gas-solid reaction in the multiphase gasification stage, is the pressure, the unit is Pa, is the particle diameter, in m, T f is the fluid temperature in K, T s is the solid surface temperature in K, T m is the average temperature of solids and fluids in K.

7. The coal gasification simulation method based on simultaneous equations method according to any one of claims 1 to 6, characterized in that: In step S3, the user selects to use the recommended formula through the graphical user interface; the parameters or variables to be corrected include at least one of the following parameters or variables: unreacted nuclear radius Total particle radius including the ash layer Ratio parameter , Stoichiometric proportionality factor of gas-solid reaction in multiphase gasification stage , residence time in the unreacted core shrinkage model , as well as the yield of each component at the outlet of the pyrolysis section and the coal quality analysis results.

8. The coal gasification simulation method based on simultaneous equations method according to claim 1, characterized in that: The simple calculator module also includes an integrated target connection equation; the target connection equation is as follows: ,in, represents the output of the modified configuration formula in the simple calculator module, Indicates the parameters or variables to be connected in the block calculation equation.

9. The coal gasification simulation method based on simultaneous equations method according to claim 1, characterized in that: The step S3: solving simulation variables based on the simultaneous equation method includes: The module calculation equations in each unit operation module, the correction configuration formula in the simple calculator module, the target connection equation and the module connection equation are combined, and the solver is called to solve the simulation variables.

10. A coal gasification simulation device based on simultaneous equation method, characterized in that: The device is used to execute the coal gasification simulation method based on the simultaneous equation method as described in any one of claims 1 to 9, and the device comprises: A process construction module (101) is used to determine the unit operation modules and the connection between the unit operation modules according to the unit operation modules and the connection configuration between the unit operation modules selected by the user; A model building module (102) is used to build a coal gasification simulation model based on the reaction equation of the unit operation module configured by the user and / or the calculation equation of the unit operation module model determination module; A simple calculator module (103) is used to obtain a correction configuration formula set by a user, and connect the output of each correction configuration formula with a parameter or variable to be connected in the module calculation equation through a target connection equation, thereby realizing the correction of the parameter or variable to be corrected; The simulation variable solving module (104) is used to solve the simulation variables based on the simultaneous equation method.

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