Preparation method and system for increasing specific surface area and activity during calcium hydroxide processing
By constructing a selectively permeable membrane and optimizing process parameters using the Aspen Plus simulated environment, the problem of improving the specific surface area and activity of calcium hydroxide was solved, enabling its efficient application in chemical reactions.
Patent Information
- Application Number
- CN202411738699.1
- Authority / Receiving Office
- CN · China
- Patent Type
- Patents(China)
- Current Assignee / Owner
- Filing Date
- 2024-11-29
- Publication Date
- 2025-10-31
- Estimated Expiration
- 2044-11-29
AI Technical Summary
Existing technologies cannot effectively improve the specific surface area and activity when processing calcium hydroxide, resulting in a decline in its application performance, and there is a lack of accurate simulation and optimization methods.
By constructing a selectively permeable membrane to purify pyrolysis gas, optimizing the ratio of CO to H2, analyzing the thermodynamic properties of the pyrolysis gas using the Aspen Plus simulation environment, optimizing process parameters through the PR equation of state, and combining the catalyst properties to carry out the reaction, the simulation and actual production of calcium hydroxide were realized.
This increases the specific surface area and activity of calcium hydroxide, thereby enhancing its contact area and rate in chemical reactions and thus improving its application effect.
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Figure CN119741985B_ABST
Abstract
Description
Technical Field
[0001] This invention relates to the field of solid-liquid reaction technology, and in particular to a preparation method and system for increasing specific surface area and activity when processing calcium hydroxide. Background Technology
[0002] Improving the specific surface area and activity during the processing of calcium hydroxide refers to a series of technical measures taken during the preparation of calcium hydroxide to increase its surface area and enhance its chemical activity. This is crucial for the application performance of calcium hydroxide, because the higher the specific surface area and activity, the larger the contact area between calcium hydroxide and reactants in chemical reactions, the faster the reaction rate, thereby improving its application effect.
[0003] Currently, the main method for processing calcium hydroxide is to improve its specific surface area and activity through a pre-defined process flow: raw material grinding, the use of additives, and environmental control. However, since different raw material properties and reaction environments all affect the reaction process, this method relies too heavily on empirical process parameters and operating conditions, lacks precise simulation and optimization, and cannot accurately control the production process parameters. This makes it impossible to effectively improve the specific surface area and activity of calcium hydroxide during processing, thus reducing the application performance of the processed calcium hydroxide. Summary of the Invention
[0004] This invention provides a preparation method and system for increasing the specific surface area and activity of calcium hydroxide during processing, with the main purpose of improving the application performance of processed calcium hydroxide.
[0005] To achieve the above objectives, the present invention provides a preparation method for increasing the specific surface area and activity of calcium hydroxide during processing, comprising:
[0006] A carbon-containing raw material for obtaining calcium oxide is pretreated to obtain a treated carbon-containing raw material, which is then pyrolyzed to obtain a pyrolysis gas, wherein the pyrolysis gas includes CO and H2.
[0007] A selectively permeable membrane for the pyrolysis gas is constructed, and impurities are removed from the pyrolysis gas based on the selectively permeable membrane to obtain pure pyrolysis gas. The ratio of CO and H2 in the pure pyrolysis gas is adjusted by a preset component ratio optimization model to obtain the target pyrolysis gas.
[0008] The simulation optimization objectives for the calcium oxide are determined, including increasing the specific surface area and increasing the activity. Based on the simulation optimization objectives, an Aspen Plus simulation environment for the calcium oxide and the target pyrolysis gas is constructed.
[0009] The thermodynamic properties of the target pyrolysis gas are analyzed using the PR equation of state in the Aspen Plus simulation environment. The catalysts for the target pyrolysis gas and calcium oxide are determined, and the catalyst properties are analyzed. Based on the thermodynamic properties and catalyst properties, the initial process parameters of the parameter control module corresponding to the Aspen Plus simulation environment are configured. Based on the initial process parameters, the target pyrolysis gas, calcium oxide, and catalyst are reacted in a plug flow reactor corresponding to the Aspen Plus simulation environment to obtain the simulation results of calcium hydroxide.
[0010] The simulation results of calcium hydroxide are analyzed to determine the simulation loss compared to the target of the simulation optimization. Based on the simulation loss, the initial process parameters are optimized to obtain the target process parameters. Based on the target process parameters, the target pyrolysis gas, calcium oxide, and catalyst are used to carry out the reaction to obtain the target calcium hydroxide.
[0011] Optionally, the pyrolysis of the carbon-containing raw material to obtain pyrolysis gas includes:
[0012] Construct a low-temperature pyrolysis environment for processing carbon-containing raw materials, and configure the pyrolysis parameters of the low-temperature pyrolysis environment;
[0013] Based on the pyrolysis parameters, the carbon-containing raw material is subjected to low-temperature pyrolysis in the low-temperature pyrolysis environment to obtain low-temperature pyrolysis gas and residual carbon-containing raw material.
[0014] An electric field is constructed for a pre-defined plasma generator. Based on the electric field, the gas in the plasma generator is ionized to obtain plasma.
[0015] The plasma is used to construct a high-temperature pyrolysis environment for the remaining carbon-containing raw materials;
[0016] Based on the aforementioned high-temperature pyrolysis environment, the remaining carbon-containing raw material is subjected to high-temperature pyrolysis to obtain high-temperature pyrolysis gas;
[0017] The low-temperature pyrolysis gas and the high-temperature pyrolysis gas are fused to obtain the pyrolysis gas.
[0018] Optionally, constructing the selectively permeable membrane for the pyrolysis gas includes:
[0019] Analyze the composition and properties of the pyrolysis gas;
[0020] Based on the aforementioned compositional properties, the film-forming material for the pyrolysis gas is determined;
[0021] Based on the film-forming material, a polymeric membrane of the pyrolysis gas is constructed;
[0022] Pre-defined organic functional groups are integrated onto the surface of the polymer membrane to obtain a functional polymer membrane;
[0023] The functional polymer membrane was characterized, and the characterization results were obtained.
[0024] When the characterization results meet the preset standard characterization results, the functional polymer membrane is used as the selective permeation membrane for the pyrolysis gas.
[0025] Optionally, adjusting the ratio of CO and H2 in the pure pyrolysis gas using a preset component ratio optimization model to obtain the target pyrolysis gas includes:
[0026] Determine the reaction equations for the pure pyrolysis gas and the calcium oxide corresponding to the pure pyrolysis gas;
[0027] Determine the thermodynamic data in the reaction equation;
[0028] Based on the aforementioned thermodynamic data, calculate the free energy changes of the pure pyrolysis gas and the calcium oxide;
[0029] Construct an expression for the equilibrium constant of the reaction equation;
[0030] Based on the free energy change, the equilibrium constant of the equilibrium constant expression is calculated using the component ratio optimization model.
[0031] By adjusting the ratio of CO and H2 in the pure pyrolysis gas using the equilibrium constant, the target pyrolysis gas is obtained.
[0032] Optionally, calculating the free energy changes of the pure pyrolysis gas and the calcium oxide based on the thermodynamic data includes:
[0033] Based on the thermal data, the standard enthalpy of formation and standard molar entropy of the pure pyrolysis gas and the calcium oxide are identified.
[0034] Based on the standard enthalpy of formation, the enthalpy change of the reaction between the pure pyrolysis gas and the calcium oxide is calculated using the following formula:
[0035]
[0036] Where, ΔD 。 This represents the enthalpy change of the reaction between pure pyrolysis gas and calcium oxide, which is converted into calcium hydroxide. Ca(OH)₂ represents the reaction products, and ρ represents the number of moles of the reaction products. The standard enthalpy of formation represents the heat released or absorbed in the reaction that forms 1 mole of a substance under standard conditions. (CO, H2, CaO) represents the reactants, namely calcium hydroxide. CO and H2 represent carbon monoxide and hydrogen gas in the pure pyrolysis gas, and CaO represents calcium oxide.
[0037] Based on the standard molar entropy, the entropy changes of the pure pyrolysis gas and the calcium oxide are calculated using the following formula:
[0038]
[0039] Wherein, ΔP 。 ΔP represents the entropy change of pure pyrolysis gas and calcium oxide converted into calcium hydroxide, Ca(OH)₂ represents the reaction product, namely calcium hydroxide, ρ represents the number of moles of the reaction product, and ΔP represents the entropy change of calcium hydroxide. c 。 The standard molar entropy represents the entropy of 1 mole of a substance under standard conditions. (CO, H2, CaO) represents the reactants. CO and H2 represent carbon monoxide and hydrogen in pure pyrolysis gas, and CaO represents calcium oxide.
[0040] Based on the enthalpy change and entropy change of the reaction, the free energy changes of the pure pyrolysis gas and the calcium oxide are calculated using the following formula:
[0041] ΔG 。 =ΔD 。 -TΔP 。
[0042] Wherein, ΔG 。 ΔD represents the free energy change of pure pyrolysis gas and calcium oxide converted into calcium hydroxide. 。 ΔP represents the enthalpy change of the reaction between pure pyrolysis gas and calcium oxide in the conversion of calcium hydroxide. 。 This represents the entropy change of pure pyrolysis gas and calcium oxide in the conversion to calcium hydroxide, where T represents the absolute temperature.
[0043] Optionally, the analysis of the thermodynamic properties of the target pyrolysis gas using the PR equation of state in the Aspen Plus simulation environment includes:
[0044] Determine the molecular geometry and bond angles of the target pyrolysis gas;
[0045] The molecular structure of the target pyrolysis gas is identified by the molecular geometry and the molecular bond angles.
[0046] Based on the molecular structure, the eccentricity factor of the target pyrolysis gas was analyzed;
[0047] Based on the eccentricity factor, calculate the state equation parameters of the PR state equation;
[0048] The thermodynamic properties of the target pyrolysis gas are calculated based on the parameters of the equation of state, wherein the parameters of the equation of state include gas density, gas pressure, and gas temperature.
[0049] Optionally, calculating the state equation parameters of the PR state equation based on the eccentricity factor includes:
[0050] Based on the aforementioned eccentricity factor, the first coefficient of the PR state equation is calculated using the following formula:
[0051]
[0052] Where μ1 represents the first coefficient of the PR state equation, P o R represents the critical pressure of the target pyrolysis gas corresponding to the PR equation of state. a T represents the universal gas constant. o ∈1 and ∈2 represent the critical temperature of the target pyrolysis gas corresponding to the PR equation of state, and represent the eccentricity factors of the target pyrolysis gas corresponding to the PR equation of state.
[0053] Based on the first coefficient, the second coefficient of the PR state equation is calculated using the following formula:
[0054]
[0055] Where μ2 represents the second coefficient of the PR state equation, μ1 represents the first coefficient of the PR state equation, and P o denoted by PR, the critical pressure of the target pyrolysis gas corresponding to the PR equation of state is given by PR, and P represents the pressure of the target pyrolysis gas corresponding to the PR equation of state.
[0056] Based on the second coefficient, the state equation parameters of the PR state equation are calculated using the following formula:
[0057]
[0058] Where α represents the state equation parameter of the PR equation of state, P represents the pressure of the target pyrolysis gas corresponding to the PR equation of state, and μ2 represents the second coefficient of the PR equation of state.
[0059] Optionally, calculating the thermodynamic properties of the target pyrolysis gas based on the parameters of the equation of state includes:
[0060] Based on the parameters of the equation of state, the gas density of the target pyrolysis gas is calculated using the following formula:
[0061]
[0062] Where M represents the gas density of the target pyrolysis gas, P represents the pressure of the target pyrolysis gas corresponding to the PR equation of state, and R... a T represents the universal gas constant, α represents the state equation parameter of the PR equation of state, and T represents the general gas constant. f Indicates the reaction temperature of the target pyrolysis gas;
[0063] Based on the gas density, the gas pressure of the target pyrolysis gas is calculated using the following formula:
[0064]
[0065] Where Y represents the gas pressure of the target pyrolysis gas, M represents the gas density of the target pyrolysis gas, and R... a T represents the universal gas constant, α represents the state equation parameter of the PR equation of state, and T represents the general gas constant. f Indicates the reaction temperature of the target pyrolysis gas;
[0066] Based on the gas density, the gas temperature of the target pyrolysis gas is calculated using the following formula:
[0067]
[0068] Where ω represents the gas temperature of the target pyrolysis gas, Y represents the gas pressure of the target pyrolysis gas, M represents the gas density of the target pyrolysis gas, and R... a α represents the universal gas constant, and α represents the state equation parameter of the PR equation of state.
[0069] The thermodynamic properties of the target pyrolysis gas are determined based on the gas density, the gas pressure, and the gas temperature.
[0070] Optionally, the analysis of the simulation results of calcium hydroxide compared to the simulation optimization objective includes:
[0071] Determine the desired state of the simulation optimization objective;
[0072] Based on the simulation optimization objective, the optimization objective data of the calcium hydroxide simulation results are extracted;
[0073] Based on the optimization target data, analyze the current simulation state of the simulation optimization target;
[0074] Analyze the simulated loss weights of the simulated optimization objective;
[0075] Based on the desired state, the current simulation state, and the simulation loss weight, the simulation loss of the calcium hydroxide simulation result compared to the simulation optimization objective is calculated.
[0076] To achieve the above objectives, the present invention also provides a preparation system for increasing the specific surface area and activity during the processing of calcium hydroxide, comprising:
[0077] A carbon-containing raw material processing module is used to obtain carbon-containing raw materials of calcium oxide, pre-treat the carbon-containing raw materials to obtain processed carbon-containing raw materials, and pyrolyze the processed carbon-containing raw materials to obtain pyrolysis gases, wherein the pyrolysis gases include CO and H2;
[0078] The pyrolysis gas optimization module is used to construct a selectively permeable membrane for the pyrolysis gas, remove impurities from the pyrolysis gas based on the selectively permeable membrane to obtain pure pyrolysis gas, and adjust the ratio of CO and H2 in the pure pyrolysis gas through a preset component ratio optimization model to obtain the target pyrolysis gas.
[0079] A simulation environment construction module is used to determine the simulation optimization objectives of the calcium oxide, wherein the simulation optimization objectives include increasing the specific surface area and increasing the activity. Based on the simulation optimization objectives, an Aspen Plus simulation environment for the calcium oxide and the target pyrolysis gas is constructed.
[0080] The calcium hydroxide simulation module is used to analyze the thermodynamic properties of the target pyrolysis gas using the PR equation of state in the Aspen Plus simulation environment, determine the catalysts for the target pyrolysis gas and the calcium oxide, analyze the catalyst properties, configure the initial process parameters of the parameter control module corresponding to the Aspen Plus simulation environment based on the thermodynamic properties and catalyst properties, and react the target pyrolysis gas, calcium oxide and catalyst in the plug flow reactor corresponding to the Aspen Plus simulation environment based on the initial process parameters to obtain the calcium hydroxide simulation results.
[0081] The process parameter optimization module is used to analyze the simulation loss of the calcium hydroxide simulation results compared with the simulation optimization target, optimize the initial process parameters based on the simulation loss to obtain the target process parameters, and use the target pyrolysis gas, calcium oxide and catalyst to react based on the target process parameters to obtain the target calcium hydroxide.
[0082] To address the above problems, the present invention also provides an electronic device, the electronic device comprising:
[0083] Memory, storing at least one instruction; and
[0084] The processor executes instructions stored in the memory to implement the preparation method described above for increasing specific surface area and activity when processing calcium hydroxide.
[0085] To address the aforementioned problems, the present invention also provides a computer-readable storage medium storing at least one instruction, which is executed by a processor in an electronic device to implement the preparation method described above for increasing specific surface area and activity during the processing of calcium hydroxide.
[0086] This invention purifies the pyrolysis gas by constructing a selectively permeable membrane, thereby improving the efficiency of the subsequent reaction with calcium oxide. Optionally, this invention can further improve the efficiency of the subsequent reaction with calcium oxide by adjusting the ratio of CO and H2 in the purified pyrolysis gas using a preset component ratio optimization model. Based on the simulation optimization target, this invention constructs an Aspen Plus simulation environment for calcium oxide and the target pyrolysis gas, providing a foundation for simulating the reaction between calcium oxide and the target pyrolysis gas. Furthermore, this invention analyzes the thermodynamic properties of the target pyrolysis gas using the PR equation of state in the Aspen Plus simulation environment, which can serve as a basis for optimizing process design, thereby improving the efficiency of chemical engineering. Finally, this invention analyzes the simulation loss of the calcium hydroxide simulation results compared to the simulation optimization target, and can optimize the reaction parameters based on the simulation loss to achieve the optimization target of the calcium hydroxide reaction. Therefore, this invention can improve the application performance of processed calcium hydroxide. Attached Figure Description
[0087] Figure 1 This is a schematic flowchart of a preparation method for increasing specific surface area and activity during the processing of calcium hydroxide according to an embodiment of the present invention.
[0088] Figure 2 This is a functional block diagram of a preparation system for improving specific surface area and activity during the processing of calcium hydroxide, provided in an embodiment of the present invention.
[0089] Figure 3 This is a schematic diagram of an electronic device for implementing the preparation method of increasing specific surface area and activity during the processing of calcium hydroxide, according to an embodiment of the present invention.
[0090] The realization of the objective, functional features and advantages of the present invention will be further explained in conjunction with the embodiments and with reference to the accompanying drawings. Detailed Implementation
[0091] It should be understood that the specific embodiments described herein are merely illustrative of the invention and are not intended to limit the invention.
[0092] This application provides a method for preparing calcium hydroxide that increases its specific surface area and activity during processing. The execution entity of this method includes, but is not limited to, at least one electronic device configured to execute the method provided in this application, such as a server or a terminal. In other words, the method for preparing calcium hydroxide that increases its specific surface area and activity can be executed by software or hardware installed on a terminal device or a server device, and the software may be a blockchain platform. The server includes, but is not limited to, a single server, a server cluster, a cloud server, or a cloud server cluster.
[0093] Reference Figure 1 The diagram shown is a schematic flow chart of a method for improving the specific surface area and activity during the processing of calcium hydroxide according to an embodiment of the present invention. In this embodiment, the method for improving the specific surface area and activity during the processing of calcium hydroxide includes:
[0094] S1. Obtain carbon-containing raw material for calcium oxide, pretreat the carbon-containing raw material to obtain treated carbon-containing raw material, pyrolyze the treated carbon-containing raw material to obtain pyrolysis gas, wherein the pyrolysis gas includes CO and H2.
[0095] It should be explained that the calcium oxide is a common compound, usually used to prepare calcium hydroxide (Ca(OH)2). The carbon-containing raw material refers to raw materials containing carbon elements, such as coal and biomass. The processing of carbon-containing raw materials refers to obtaining processed carbon-containing raw materials through pretreatment, such as crushing, grinding, and drying. The pyrolysis gas refers to the gas generated during the pyrolysis process of carbon-containing raw materials, and its main components include CO and H2.
[0096] Specifically, the pyrolysis of the carbon-containing raw material to obtain pyrolysis gas includes:
[0097] Construct a low-temperature pyrolysis environment for processing carbon-containing raw materials, and configure the pyrolysis parameters of the low-temperature pyrolysis environment;
[0098] Based on the pyrolysis parameters, the carbon-containing raw material is subjected to low-temperature pyrolysis in the low-temperature pyrolysis environment to obtain low-temperature pyrolysis gas and residual carbon-containing raw material.
[0099] An electric field is constructed for a pre-defined plasma generator. Based on the electric field, the gas in the plasma generator is ionized to obtain plasma.
[0100] The plasma is used to construct a high-temperature pyrolysis environment for the remaining carbon-containing raw materials;
[0101] Based on the aforementioned high-temperature pyrolysis environment, the remaining carbon-containing raw material is subjected to high-temperature pyrolysis to obtain high-temperature pyrolysis gas;
[0102] The low-temperature pyrolysis gas and the high-temperature pyrolysis gas are fused to obtain the pyrolysis gas.
[0103] The low-temperature pyrolysis environment refers to a specific environment or apparatus used for carrying out low-temperature pyrolysis reactions, including reactors, temperature control systems, gas flow systems, etc. The pyrolysis parameters refer to various parameters controlling the low-temperature pyrolysis process, such as temperature, pressure, residence time, and the composition of the pyrolysis atmosphere (e.g., oxygen or water vapor). The low-temperature pyrolysis gas refers to the gas mixture generated during the low-temperature pyrolysis process, mainly containing CO and H2, and possibly other gaseous components. The remaining carbon-containing raw material refers to the incompletely pyrolyzed raw material remaining after low-temperature pyrolysis, usually containing a small amount of carbon, and possibly other unreacted components. The electric field refers to the electric field established in the plasma generator, used to accelerate gas molecules. The ionization process forms plasma. The plasma generator is a device capable of generating plasma, typically including electrodes, power supply, cooling system, and other structures. The plasma refers to the ionized gas composed of ions and free electrons formed in the plasma generator, possessing high temperature and high energy characteristics. The gas in the plasma generator refers to the gas used to generate plasma, such as argon or nitrogen, which are ionized under the influence of an electric field. The high-temperature pyrolysis environment refers to a specific environment or device used for high-temperature pyrolysis reactions, typically composed of high-temperature conditions provided by plasma. The high-temperature pyrolysis gas refers to the gas mixture generated during the high-temperature pyrolysis process, typically containing more CO and H2.
[0104] Furthermore, the construction of the low-temperature pyrolysis environment for processing carbon-containing raw materials and the configuration of the pyrolysis parameters of the low-temperature pyrolysis environment can be achieved through a fixed-bed reactor or a fluidized-bed reactor.
[0105] S2. Construct a selectively permeable membrane for the pyrolysis gas, remove impurities from the pyrolysis gas based on the selectively permeable membrane to obtain pure pyrolysis gas, and adjust the ratio of CO and H2 in the pure pyrolysis gas through a preset component ratio optimization model to obtain the target pyrolysis gas.
[0106] This invention purifies the pyrolysis gas by constructing a selectively permeable membrane, thereby improving the effect of the subsequent reaction with calcium oxide.
[0107] Specifically, the construction of the selectively permeable membrane for the pyrolysis gas includes:
[0108] Analyze the composition and properties of the pyrolysis gas;
[0109] Based on the aforementioned compositional properties, the film-forming material for the pyrolysis gas is determined;
[0110] Based on the film-forming material, a polymeric membrane of the pyrolysis gas is constructed;
[0111] Pre-defined organic functional groups are integrated onto the surface of the polymer membrane to obtain a functional polymer membrane;
[0112] The functional polymer membrane was characterized, and the characterization results were obtained.
[0113] When the characterization results meet the preset standard characterization results, the functional polymer membrane is used as the selective permeation membrane for the pyrolysis gas.
[0114] The component properties refer to the types, concentrations, physicochemical properties, etc., of each component in the pyrolysis gas. These properties determine the application and subsequent treatment requirements of the pyrolysis gas. The film-forming material refers to the material used to prepare the polymer membrane, and its selection depends on the component properties of the pyrolysis gas and the required membrane performance. The polymer membrane refers to a membrane polymerized from the film-forming material, used to separate and purify pyrolysis gas. The organic functional groups refer to specific organic groups introduced on the surface of the polymer membrane. These functional groups can enhance the membrane's selectivity for specific gases. The functional polymer membrane refers to a polymer membrane with integrated organic functional groups on its surface, possessing specific functions, such as selective permeability. The characterization results refer to the data and information obtained by characterizing the functional polymer membrane through various analytical techniques, such as pore size distribution, chemical composition, and surface properties. The standard characterization results refer to the comparison and evaluation of the characterization results of the functional polymer membrane according to preset standards or requirements. The selectively permeable membrane refers to a membrane with specific selective permeability properties, capable of effectively separating and purifying the target components in the pyrolysis gas.
[0115] Furthermore, the construction of the polymeric membrane of the pyrolysis gas based on the film-forming material can be achieved by phase separation, sol-gel method, chemical vapor deposition, etc.
[0116] It should be explained that the pure pyrolysis gas refers to the gas after gaseous impurities other than CO and H2 have been removed from the pyrolysis gas by the selectively permeable membrane.
[0117] This invention improves the effect of the later reaction with calcium oxide by adjusting the ratio of CO and H2 in the pure pyrolysis gas through a preset component ratio optimization model.
[0118] Specifically, the step of adjusting the ratio of CO and H2 in the pure pyrolysis gas according to a preset component ratio optimization model to obtain the target pyrolysis gas includes:
[0119] Determine the reaction equations for the pure pyrolysis gas and the calcium oxide corresponding to the pure pyrolysis gas;
[0120] Determine the thermodynamic data in the reaction equation;
[0121] Based on the aforementioned thermodynamic data, calculate the free energy changes of the pure pyrolysis gas and the calcium oxide;
[0122] Construct an expression for the equilibrium constant of the reaction equation;
[0123] Based on the free energy change, the equilibrium constant of the equilibrium constant expression is calculated using the component ratio optimization model.
[0124] By adjusting the ratio of CO and H2 in the pure pyrolysis gas using the equilibrium constant, the target pyrolysis gas is obtained.
[0125] The reaction equation refers to the chemical equation for the reaction of calcium oxide with CO and H2 in pure pyrolysis gas. The thermodynamic data refers to thermodynamic data related to the reaction equation, such as enthalpy of formation (ΔH°) and standard molar entropy (ΔS°). The free energy change refers to the change in Gibbs free energy when reactants are converted into products under standard conditions. The equilibrium constant expression is a mathematical expression describing the relationship between the reactant and product concentration ratio and the equilibrium constant. The equilibrium constant refers to the relationship between the product of the reactant and product concentration ratios and the equilibrium constant at a specific temperature. The target pyrolysis gas is the ideal pyrolysis gas composition calculated according to the component ratio optimization model. The component ratio optimization model is a mathematical model used to optimize the ratio of CO and H2 in pure pyrolysis gas.
[0126] Furthermore, the calculation of the free energy changes of the pure pyrolysis gas and the calcium oxide based on the thermodynamic data includes:
[0127] Based on the thermal data, the standard enthalpy of formation and standard molar entropy of the pure pyrolysis gas and the calcium oxide are identified.
[0128] Based on the standard enthalpy of formation, the enthalpy change of the reaction between the pure pyrolysis gas and the calcium oxide is calculated using the following formula:
[0129]
[0130] Where, ΔD 。 This represents the enthalpy change of the reaction between pure pyrolysis gas and calcium oxide, which is converted into calcium hydroxide. Ca(OH)₂ represents the reaction products, and ρ represents the number of moles of the reaction products. The standard enthalpy of formation represents the heat released or absorbed in the reaction that forms 1 mole of a substance under standard conditions. (CO, H2, CaO) represents the reactants, namely calcium hydroxide. CO and H2 represent carbon monoxide and hydrogen gas in the pure pyrolysis gas, and CaO represents calcium oxide.
[0131] Based on the standard molar entropy, the entropy changes of the pure pyrolysis gas and the calcium oxide are calculated using the following formula:
[0132]
[0133] Wherein, ΔP 。 This represents the entropy change of pure pyrolysis gas and calcium oxide converted into calcium hydroxide, where Ca(OH)₂ represents the reaction product, namely calcium hydroxide, and ρ represents the number of moles of the reaction product. The standard molar entropy represents the entropy of 1 mole of a substance under standard conditions. (CO, H2, CaO) represents the reactants. CO and H2 represent carbon monoxide and hydrogen in pure pyrolysis gas, and CaO represents calcium oxide.
[0134] Based on the enthalpy change and entropy change of the reaction, the free energy changes of the pure pyrolysis gas and the calcium oxide are calculated using the following formula:
[0135] ΔG 。 =ΔD 。 -TΔP 。
[0136] Wherein, ΔG 。 ΔD represents the free energy change of pure pyrolysis gas and calcium oxide converted into calcium hydroxide. 。 ΔP represents the enthalpy change of the reaction between pure pyrolysis gas and calcium oxide in the conversion of calcium hydroxide. 。 This represents the entropy change of pure pyrolysis gas and calcium oxide in the conversion to calcium hydroxide, where T represents the absolute temperature.
[0137] Wherein, the enthalpy change of the reaction refers to the heat absorbed or released by the system when a chemical reaction proceeds from the initial state to the final state under constant pressure conditions; the entropy change refers to the change in the degree of disorder of the system when a chemical reaction proceeds from the initial state to the final state under constant temperature conditions; and the absolute temperature is the zero point of the thermodynamic temperature scale, with an absolute temperature value of 0 K.
[0138] S3. Determine the simulation optimization target for the calcium oxide, wherein the simulation optimization target includes increasing the specific surface area and increasing the activity. Based on the simulation optimization target, construct an Aspen Plus simulation environment for the calcium oxide and the target pyrolysis gas.
[0139] The specific surface area refers to the size of the surface area of a substance per unit mass or unit volume, and the activity refers to the ability of calcium oxide to react chemically with reactants under specific conditions.
[0140] Based on the aforementioned simulation optimization objective, this invention constructs an Aspen Plus simulation environment for calcium oxide and the target pyrolysis gas, providing a foundation for subsequent simulations of the reaction between calcium oxide and the target pyrolysis gas. Specifically, the Aspen Plus simulation environment refers to a virtual model of a chemical engineering process created using Aspen Plus software. In detail, the Aspen Plus simulation environment can be created by installing Aspen Plus software on a computer, opening Aspen Plus, and creating a new simulation file.
[0141] S4. Analyze the thermodynamic properties of the target pyrolysis gas using the PR equation of state in the Aspen Plus simulation environment, determine the catalysts for the target pyrolysis gas and the calcium oxide, analyze the catalyst properties, configure the initial process parameters of the parameter control module corresponding to the Aspen Plus simulation environment based on the thermodynamic properties and catalyst properties, and react the target pyrolysis gas, calcium oxide and catalyst in the plug flow reactor corresponding to the Aspen Plus simulation environment based on the initial process parameters to obtain the calcium hydroxide simulation results.
[0142] This invention utilizes the PR equation of state in the Aspen Plus simulation environment to analyze the thermodynamic properties of the target pyrolysis gas, which can serve as a basis for optimizing process design, thereby improving the effectiveness of chemical engineering.
[0143] In detail, the analysis of the thermodynamic properties of the target pyrolysis gas using the PR equation of state in the Aspen Plus simulation environment includes:
[0144] Determine the molecular geometry and bond angles of the target pyrolysis gas;
[0145] The molecular structure of the target pyrolysis gas is identified by the molecular geometry and the molecular bond angles.
[0146] Based on the molecular structure, the eccentricity factor of the target pyrolysis gas was analyzed;
[0147] Based on the eccentricity factor, calculate the state equation parameters of the PR state equation;
[0148] The thermodynamic properties of the target pyrolysis gas are calculated based on the parameters of the equation of state, wherein the parameters of the equation of state include gas density, gas pressure, and gas temperature.
[0149] The molecular geometry refers to the shape of the target pyrolysis gas molecules in three-dimensional space, including the length, width, and height of the molecules. The molecular bond angles refer to the angles formed by the bonds between different atoms in the molecule, which determine the spatial configuration of the molecule. The molecular structure refers to the arrangement of atoms inside the molecule based on the molecular geometry and molecular bond angles, including the types, numbers, and connection methods of atoms. The eccentricity factor is a parameter used to describe the shape of the molecules, reflecting the degree of deviation of the molecules from an ideal spherical molecule. The equation of state parameters refer to the PR equation of state, a cubic equation of state used to describe the state of a gas. The thermodynamic properties refer to the gas properties calculated in the PR equation of state using the equation of state parameters, such as density, pressure, and temperature.
[0150] Further, the calculation of the state equation parameters of the PR state equation based on the eccentricity factor includes:
[0151] Based on the aforementioned eccentricity factor, the first coefficient of the PR state equation is calculated using the following formula:
[0152]
[0153] Where μ1 represents the first coefficient of the PR state equation, P o R represents the critical pressure of the target pyrolysis gas corresponding to the PR equation of state. a T represents the universal gas constant. o ∈1 and ∈2 represent the critical temperature of the target pyrolysis gas corresponding to the PR equation of state, and represent the eccentricity factors of the target pyrolysis gas corresponding to the PR equation of state.
[0154] Based on the first coefficient, the second coefficient of the PR state equation is calculated using the following formula:
[0155]
[0156] Where μ2 represents the second coefficient of the PR state equation, μ1 represents the first coefficient of the PR state equation, and P o denoted by PR, the critical pressure of the target pyrolysis gas corresponding to the PR equation of state is given by PR, and P represents the pressure of the target pyrolysis gas corresponding to the PR equation of state.
[0157] Based on the second coefficient, the state equation parameters of the PR state equation are calculated using the following formula:
[0158]
[0159] Where α represents the state equation parameter of the PR equation of state, P represents the pressure of the target pyrolysis gas corresponding to the PR equation of state, and μ2 represents the second coefficient of the PR equation of state.
[0160] Wherein, the first coefficient refers to the coefficient used in the PR equation of state to describe the interaction between gas molecules, including the magnitude and direction of intermolecular forces; the second coefficient refers to the coefficient used in the PR equation of state to describe the repulsive force between gas molecules, which is related to the molecular geometry; the critical pressure refers to the pressure of the gas at the critical point, which is a key property of the gas and is used to calculate the coefficients in the equation of state; the universal gas constant refers to the molar gas constant Ru in the ideal gas equation of state, which represents the molar gas constant per unit mole of gas under standard conditions (0℃, 1 atm), and its value is 8.314 J / (mol·K); and the critical temperature refers to the temperature of the gas at the critical point, which is another key property of the gas and is used to calculate the coefficients in the equation of state.
[0161] Furthermore, the calculation of the thermodynamic properties of the target pyrolysis gas based on the parameters of the equation of state includes:
[0162] Based on the parameters of the equation of state, the gas density of the target pyrolysis gas is calculated using the following formula:
[0163]
[0164] Where M represents the gas density of the target pyrolysis gas, P represents the pressure of the target pyrolysis gas corresponding to the PR equation of state, and R... a T represents the universal gas constant, α represents the state equation parameter of the PR equation of state, and T represents the general gas constant. f Indicates the reaction temperature of the target pyrolysis gas;
[0165] Based on the gas density, the gas pressure of the target pyrolysis gas is calculated using the following formula:
[0166]
[0167] Where Y represents the gas pressure of the target pyrolysis gas, M represents the gas density of the target pyrolysis gas, and R... a T represents the universal gas constant, α represents the state equation parameter of the PR equation of state, and T represents the general gas constant. f Indicates the reaction temperature of the target pyrolysis gas;
[0168] Based on the gas density, the gas temperature of the target pyrolysis gas is calculated using the following formula:
[0169]
[0170] Where ω represents the gas temperature of the target pyrolysis gas, Y represents the gas pressure of the target pyrolysis gas, M represents the gas density of the target pyrolysis gas, and R... a α represents the universal gas constant, and α represents the state equation parameter of the PR equation of state.
[0171] The thermodynamic properties of the target pyrolysis gas are determined based on the gas density, the gas pressure, and the gas temperature.
[0172] This invention identifies the target pyrolysis gas and the catalyst of the calcium oxide, analyzes the catalyst properties, and, based on the thermodynamic properties and catalyst properties, configures the initial process parameters of the parameter control module corresponding to the Aspen Plus simulation environment as initial conditions for subsequent reactions.
[0173] The catalyst refers to a substance used to accelerate a chemical reaction. It typically does not participate in the reaction itself but can lower the activation energy of the reaction, thereby increasing the reaction rate. The catalyst properties refer to the characteristics of the catalyst, such as activity, selectivity, stability, and lifetime. These properties determine the performance of the catalyst in practical applications. The parameter control module refers to a component in chemical simulation software such as Aspen Plus, used to adjust and optimize process parameters. It allows users to define target values and constraints for operating parameters. The initial process parameters refer to the process parameters set at the start of the simulation.
[0174] For example, if the reaction between the target pyrolysis gas and calcium oxide needs to be accelerated, metal oxide catalysts, such as nickel oxide (NiO) and copper oxide (CuO), can be used. These catalysts have high activity and selectivity, and can effectively promote the reaction. In the Aspen Plus simulation environment, the reaction rate and products can be controlled by setting operating parameters such as the amount of catalyst added, temperature, and pressure through the parameter control module.
[0175] Based on the initial process parameters, the target pyrolysis gas, calcium oxide, and catalyst are reacted in a plug flow reactor corresponding to the Aspen Plus simulation environment to obtain the calcium hydroxide simulation results. These simulation results can be used as a basis for subsequent process parameter optimization. Specifically, the calcium hydroxide simulation results include the calcium hydroxide formation rate, conversion rate, and formation status during the reaction, including parameters such as yield, purity, specific surface area, and activity.
[0176] S5. Analyze the simulation loss of the calcium hydroxide simulation results compared with the simulation optimization target. Based on the simulation loss, optimize the initial process parameters to obtain the target process parameters. Based on the target process parameters, use the target pyrolysis gas, calcium oxide and catalyst to react and obtain the target calcium hydroxide.
[0177] The present invention analyzes the simulation results of calcium hydroxide and compares them with the simulation loss of the optimization target. Based on the simulation loss, the reaction parameters can be optimized in a targeted manner to achieve the optimization target of the calcium hydroxide reaction.
[0178] In detail, the analysis of the simulation results of calcium hydroxide compared to the simulation optimization target includes:
[0179] Determine the desired state of the simulation optimization objective;
[0180] Based on the simulation optimization objective, the optimization objective data of the calcium hydroxide simulation results are extracted;
[0181] Based on the optimization target data, analyze the current simulation state of the simulation optimization target;
[0182] Analyze the simulated loss weights of the simulated optimization objective;
[0183] Based on the desired state, the current simulation state, and the simulation loss weight, the simulation loss of the calcium hydroxide simulation result compared to the simulation optimization objective is calculated.
[0184] The desired state refers to the optimization target of the calcium hydroxide simulation results set according to process requirements and expected performance. For example, the desired state is high specific surface area and high activity. The optimization target data refers to data describing the simulation optimization target, such as specific surface area data and activity data. The current simulation state refers to the current specific surface area state and activity state. The simulation loss weight refers to the importance of specific surface area and activity to the calcium hydroxide optimization target. The simulation loss refers to the total loss calculated based on the current simulation state and the simulation loss weight. For example, if the desired state is high specific surface area and high activity, the simulation loss is the weighted sum of specific surface area loss and activity loss.
[0185] Based on the simulated loss, the initial process parameters are optimized to obtain target process parameters that can improve the specific surface area and activity of processed calcium hydroxide. Specifically, the optimization of the initial process parameters can be achieved using optimization algorithms such as genetic algorithms, particle swarm optimization, and gradient descent, based on the optimization objective and the simulated loss. The target process parameters refer to those parameters that can improve the specific surface area and activity of processed calcium hydroxide to the desired level.
[0186] This invention purifies the pyrolysis gas by constructing a selectively permeable membrane, thereby improving the efficiency of the subsequent reaction with calcium oxide. Optionally, this invention can further improve the efficiency of the subsequent reaction with calcium oxide by adjusting the ratio of CO and H2 in the purified pyrolysis gas using a preset component ratio optimization model. Based on the simulation optimization target, this invention constructs an Aspen Plus simulation environment for calcium oxide and the target pyrolysis gas, providing a foundation for simulating the reaction between calcium oxide and the target pyrolysis gas. Furthermore, this invention analyzes the thermodynamic properties of the target pyrolysis gas using the PR equation of state in the Aspen Plus simulation environment, which can serve as a basis for optimizing process design, thereby improving the efficiency of chemical engineering. Finally, this invention analyzes the simulation loss of the calcium hydroxide simulation results compared to the simulation optimization target, and can optimize the reaction parameters based on the simulation loss to achieve the optimization target of the calcium hydroxide reaction. Therefore, this invention can improve the application performance of processed calcium hydroxide.
[0187] like Figure 2 The diagram shown is a functional block diagram of a preparation system for improving specific surface area and activity during the processing of calcium hydroxide, provided in an embodiment of the present invention.
[0188] The preparation system 100 for increasing specific surface area and activity during calcium hydroxide processing according to the present invention can be installed in an electronic device. Depending on the functions implemented, the preparation system 100 for increasing specific surface area and activity during calcium hydroxide processing may include a carbon-containing raw material processing module 101, a pyrolysis gas optimization module 102, a simulation environment construction module 103, a calcium hydroxide simulation module 104, and a process parameter optimization module 105. The module described in this invention can also be referred to as a unit, which refers to a series of computer program segments that can be executed by the processor of an electronic device and can perform a fixed function, and are stored in the memory of the electronic device.
[0189] The carbon-containing raw material processing module 101 is used to obtain carbon-containing raw materials of calcium oxide, pre-treat the carbon-containing raw materials to obtain processed carbon-containing raw materials, and pyrolyze the processed carbon-containing raw materials to obtain pyrolysis gas, wherein the pyrolysis gas includes CO and H2.
[0190] The pyrolysis gas optimization module 102 is used to construct a selectively permeable membrane for the pyrolysis gas, remove impurities from the pyrolysis gas based on the selectively permeable membrane to obtain pure pyrolysis gas, and adjust the ratio of CO and H2 in the pure pyrolysis gas through a preset component ratio optimization model to obtain the target pyrolysis gas.
[0191] The simulation environment construction module 103 is used to determine the simulation optimization target of the calcium oxide, wherein the simulation optimization target includes increasing the specific surface area and increasing the activity. Based on the simulation optimization target, an Aspen Plus simulation environment for the calcium oxide and the target pyrolysis gas is constructed.
[0192] The calcium hydroxide simulation module 104 is used to analyze the thermodynamic properties of the target pyrolysis gas using the PR equation of state in the Aspen Plus simulation environment, determine the catalysts for the target pyrolysis gas and the calcium oxide, analyze the catalyst properties, configure the initial process parameters of the parameter control module corresponding to the Aspen Plus simulation environment based on the thermodynamic properties and catalyst properties, and react the target pyrolysis gas, calcium oxide and catalyst in the plug flow reactor corresponding to the Aspen Plus simulation environment based on the initial process parameters to obtain the calcium hydroxide simulation results.
[0193] The process parameter optimization module 105 is used to analyze the simulation loss of the calcium hydroxide simulation results compared with the simulation optimization target, optimize the initial process parameters based on the simulation loss to obtain the target process parameters, and use the target pyrolysis gas, calcium oxide and catalyst to react based on the target process parameters to obtain the target calcium hydroxide.
[0194] In detail, the modules in the preparation system 100 for increasing specific surface area and activity during the processing of calcium hydroxide described in this embodiment of the invention employ the same methods as described above. Figure 1 The preparation method for increasing specific surface area and activity during the processing of calcium hydroxide described herein is the same as the method used to produce the same technical effect, and will not be repeated here.
[0195] like Figure 3 The diagram shown is a schematic diagram of an electronic device for implementing a method to increase specific surface area and activity when processing calcium hydroxide, according to an embodiment of the present invention.
[0196] The electronic device 1 may include a processor 10, a memory 11 and a bus 12, and may also include a computer program stored in the memory 11 and executable on the processor 10, such as a preparation method program for increasing specific surface area and activity when processing calcium hydroxide.
[0197] The memory 11 includes at least one type of readable storage medium, such as flash memory, portable hard drive, multimedia card, card-type memory (e.g., SD or DX memory), magnetic memory, magnetic disk, optical disk, etc. In some embodiments, the memory 11 can be an internal storage unit of the electronic device 1, such as a portable hard drive. In other embodiments, the memory 11 can be an external storage device of the electronic device 1, such as a plug-in portable hard drive, smart media card (SMC), secure digital card (SD), flash card, etc., equipped on the electronic device 1. Furthermore, the memory 11 includes both internal storage units and external storage devices of the electronic device 1. The memory 11 can be used not only to store application software and various types of data installed on the electronic device 1, such as the code of a preparation method program for increasing specific surface area and activity during the processing of calcium hydroxide, but also to temporarily store data that has been output or will be output.
[0198] In some embodiments, the processor 10 may be composed of integrated circuits, such as a single packaged integrated circuit or multiple integrated circuits with the same or different functions, including combinations of one or more central processing units (CPUs), microprocessors, digital processing chips, graphics processors, and various control chips. The processor 10 is the control unit of the electronic device, connecting various components of the entire electronic device via various interfaces and lines. It executes programs or modules stored in the memory 11 (e.g., a preparation method program to increase specific surface area and activity during calcium hydroxide processing), and calls data stored in the memory 11 to perform various functions of the electronic device 1 and process data.
[0199] The bus 12 can be a peripheral component interconnect (PCI) bus or an extended industry standard architecture (EISA) bus, etc. The bus 12 can be divided into an address bus, a data bus, a control bus, etc. The bus 12 is configured to realize the connection and communication between the memory 11 and at least one processor 10, etc.
[0200] Figure 3 Only electronic devices with components are shown; those skilled in the art will understand that... Figure 3The structure shown does not constitute a limitation on the electronic device 1, and may include fewer or more components than shown, or combine certain components, or have different component arrangements.
[0201] For example, although not shown, the electronic device 1 may also include a power supply (such as a battery) to power various components. Preferably, the power supply can be logically connected to the at least one processor 10 through a power management device, thereby enabling functions such as charging management, discharging management, and power consumption management. The power supply may also include one or more DC or AC power supplies, recharging devices, power fault detection circuits, power converters or inverters, power status indicators, and other arbitrary components. The electronic device 1 may also include various sensors, Bluetooth modules, Wi-Fi modules, etc., which will not be described in detail here.
[0202] Furthermore, the electronic device 1 may also include a network interface. Optionally, the network interface may include a wired interface and / or a wireless interface (such as a Wi-Fi interface, a Bluetooth interface, etc.), which is typically used to establish communication connections between the electronic device 1 and other electronic devices.
[0203] Optionally, the electronic device 1 may further include a user interface, which may be a display, an input unit (such as a keyboard), or a standard wired or wireless interface. Optionally, in some embodiments, the display may be an LED display, a liquid crystal display, a touch-sensitive liquid crystal display, or an OLED (Organic Light-Emitting Diode) touchscreen. The display may also be appropriately referred to as a screen or display unit, used to display information processed in the electronic device 1 and to display a visual user interface.
[0204] It should be understood that the embodiments described are for illustrative purposes only and are not limited to this structure in the scope of the patent application.
[0205] The preparation method program for increasing specific surface area and activity during the processing of calcium hydroxide, stored in the memory 11 of the electronic device 1, is a combination of multiple instructions. When run in the processor 10, it can achieve the following:
[0206] A carbon-containing raw material for obtaining calcium oxide is pretreated to obtain a treated carbon-containing raw material, which is then pyrolyzed to obtain a pyrolysis gas, wherein the pyrolysis gas includes CO and H2.
[0207] A selectively permeable membrane for the pyrolysis gas is constructed, and impurities are removed from the pyrolysis gas based on the selectively permeable membrane to obtain pure pyrolysis gas. The ratio of CO and H2 in the pure pyrolysis gas is adjusted by a preset component ratio optimization model to obtain the target pyrolysis gas.
[0208] The simulation optimization objectives for the calcium oxide are determined, including increasing the specific surface area and increasing the activity. Based on the simulation optimization objectives, an Aspen Plus simulation environment for the calcium oxide and the target pyrolysis gas is constructed.
[0209] The thermodynamic properties of the target pyrolysis gas are analyzed using the PR equation of state in the Aspen Plus simulation environment. The catalysts for the target pyrolysis gas and calcium oxide are determined, and the catalyst properties are analyzed. Based on the thermodynamic properties and catalyst properties, the initial process parameters of the parameter control module corresponding to the Aspen Plus simulation environment are configured. Based on the initial process parameters, the target pyrolysis gas, calcium oxide, and catalyst are reacted in a plug flow reactor corresponding to the Aspen Plus simulation environment to obtain the simulation results of calcium hydroxide.
[0210] The simulation results of calcium hydroxide are analyzed to determine the simulation loss compared to the target of the simulation optimization. Based on the simulation loss, the initial process parameters are optimized to obtain the target process parameters. Based on the target process parameters, the target pyrolysis gas, calcium oxide, and catalyst are used to carry out the reaction to obtain the target calcium hydroxide.
[0211] Specifically, the processor 10's implementation method for the above instructions can be found in [reference needed]. Figures 1 to 3 The descriptions of the relevant steps in the corresponding embodiments are not repeated here.
[0212] Furthermore, if the modules / units integrated in the electronic device 1 are implemented as software functional units and sold or used as independent products, they can be stored in a computer-readable storage medium. The computer-readable storage medium can be volatile or non-volatile. For example, the computer-readable medium may include: any entity or device capable of carrying the computer program code, a recording medium, a USB flash drive, a portable hard drive, a magnetic disk, an optical disk, a computer memory, or a read-only memory (ROM).
[0213] The present invention also provides a computer-readable storage medium storing a computer program, which, when executed by a processor of an electronic device, can perform the following:
[0214] A carbon-containing raw material for obtaining calcium oxide is pretreated to obtain a treated carbon-containing raw material, which is then pyrolyzed to obtain a pyrolysis gas, wherein the pyrolysis gas includes CO and H2.
[0215] A selectively permeable membrane for the pyrolysis gas is constructed, and impurities are removed from the pyrolysis gas based on the selectively permeable membrane to obtain pure pyrolysis gas. The ratio of CO and H2 in the pure pyrolysis gas is adjusted by a preset component ratio optimization model to obtain the target pyrolysis gas.
[0216] The simulation optimization objectives for the calcium oxide are determined, including increasing the specific surface area and increasing the activity. Based on the simulation optimization objectives, an Aspen Plus simulation environment for the calcium oxide and the target pyrolysis gas is constructed.
[0217] The thermodynamic properties of the target pyrolysis gas are analyzed using the PR equation of state in the Aspen Plus simulation environment. The catalysts for the target pyrolysis gas and calcium oxide are determined, and the catalyst properties are analyzed. Based on the thermodynamic properties and catalyst properties, the initial process parameters of the parameter control module corresponding to the Aspen Plus simulation environment are configured. Based on the initial process parameters, the target pyrolysis gas, calcium oxide, and catalyst are reacted in a plug flow reactor corresponding to the Aspen Plus simulation environment to obtain the simulation results of calcium hydroxide.
[0218] The simulation results of calcium hydroxide are analyzed to determine the simulation loss compared to the target of the simulation optimization. Based on the simulation loss, the initial process parameters are optimized to obtain the target process parameters. Based on the target process parameters, the target pyrolysis gas, calcium oxide, and catalyst are used to carry out the reaction to obtain the target calcium hydroxide.
[0219] In the embodiments provided by this invention, it should be understood that the disclosed devices, systems, and methods can be implemented in other ways. For example, the system embodiments described above are merely illustrative, and actual implementations may have other classification methods.
[0220] The modules described as separate components may or may not be physically separate. The components shown as modules may or may not be physical units; that is, they may be located in one place or distributed across multiple network units. Some or all of the modules can be selected to achieve the purpose of this embodiment according to actual needs.
[0221] Furthermore, the functional modules in the various embodiments of the present invention can be integrated into one processing unit, or each unit can exist physically separately, or two or more units can be integrated into one unit. The integrated unit can be implemented in hardware or in the form of hardware plus software functional modules.
[0222] It will be apparent to those skilled in the art that the present invention is not limited to the details of the exemplary embodiments described above, and that the present invention can be implemented in other specific forms without departing from the spirit or essential characteristics of the present invention.
[0223] Furthermore, it is clear that the word "comprising" does not exclude other units or steps, and the singular does not exclude the plural. Multiple units or devices recited in a system claim may also be implemented by a single unit or device through software or hardware. The term "second class" is used to indicate names and does not indicate any specific order.
[0224] Finally, it should be noted that the above embodiments are only used to illustrate the technical solutions of the present invention and are not intended to limit it. Although the present invention has been described in detail with reference to preferred embodiments, those skilled in the art should understand that modifications or equivalent substitutions can be made to the technical solutions of the present invention without departing from the spirit and scope of the technical solutions of the present invention.
Claims
1. A preparation method for increasing specific surface area and activity during the processing of calcium hydroxide, characterized in that, The method includes: A carbon-containing raw material for obtaining calcium oxide is pretreated to obtain a treated carbon-containing raw material, which is then pyrolyzed to obtain a pyrolysis gas, wherein the pyrolysis gas includes CO and H2. A selectively permeable membrane for the pyrolysis gas is constructed, and impurities are removed from the pyrolysis gas based on the selectively permeable membrane to obtain pure pyrolysis gas. The ratio of CO and H2 in the pure pyrolysis gas is adjusted by a preset component ratio optimization model to obtain the target pyrolysis gas. The simulation optimization objectives for the calcium oxide are determined, including increasing the specific surface area and increasing the activity. Based on the simulation optimization objectives, an Aspen Plus simulation environment for the calcium oxide and the target pyrolysis gas is constructed. The thermodynamic properties of the target pyrolysis gas are analyzed using the PR equation of state in the Aspen Plus simulation environment. The catalysts for the target pyrolysis gas and the calcium oxide are determined, and the catalyst properties are analyzed. Based on the thermodynamic properties and catalyst properties, the initial process parameters of the parameter control module corresponding to the Aspen Plus simulation environment are configured. Based on the initial process parameters, the target pyrolysis gas, calcium oxide, and catalyst are reacted in a plug flow reactor corresponding to the Aspen Plus simulation environment to obtain the simulation results of calcium hydroxide. The simulation results of calcium hydroxide are analyzed to determine the simulation loss compared to the target of the simulation optimization. Based on the simulation loss, the initial process parameters are optimized to obtain the target process parameters. Based on the target process parameters, the target pyrolysis gas, calcium oxide, and catalyst are used to carry out the reaction to obtain the target calcium hydroxide.
2. The preparation method for increasing specific surface area and activity during the processing of calcium hydroxide as described in claim 1, characterized in that, The process of pyrolyzing the carbon-containing raw material to obtain pyrolysis gas includes: Construct a low-temperature pyrolysis environment for processing carbon-containing raw materials, and configure the pyrolysis parameters of the low-temperature pyrolysis environment; Based on the pyrolysis parameters, the carbon-containing raw material is subjected to low-temperature pyrolysis in the low-temperature pyrolysis environment to obtain low-temperature pyrolysis gas and residual carbon-containing raw material. An electric field is constructed for a pre-defined plasma generator. Based on the electric field, the gas in the plasma generator is ionized to obtain plasma. The plasma is used to construct a high-temperature pyrolysis environment for the remaining carbon-containing raw materials; Based on the aforementioned high-temperature pyrolysis environment, the remaining carbon-containing raw material is subjected to high-temperature pyrolysis to obtain high-temperature pyrolysis gas; The low-temperature pyrolysis gas and the high-temperature pyrolysis gas are fused to obtain the pyrolysis gas.
3. The preparation method for increasing specific surface area and activity during the processing of calcium hydroxide as described in claim 2, characterized in that, The construction of the selectively permeable membrane for the pyrolysis gas includes: Analyze the composition and properties of the pyrolysis gas; Based on the aforementioned compositional properties, the film-forming material for the pyrolysis gas is determined; Based on the film-forming material, a polymeric membrane of the pyrolysis gas is constructed; Pre-defined organic functional groups are integrated onto the surface of the polymer membrane to obtain a functional polymer membrane; The functional polymer membrane was characterized, and the characterization results were obtained. When the characterization results meet the preset standard characterization results, the functional polymer membrane is used as the selective permeation membrane for the pyrolysis gas.
4. The preparation method for increasing specific surface area and activity during the processing of calcium hydroxide as described in claim 3, characterized in that, The step of adjusting the ratio of CO and H2 in the pure pyrolysis gas using a preset component ratio optimization model to obtain the target pyrolysis gas includes: Determine the reaction equations for the pure pyrolysis gas and the corresponding calcium oxide; Determine the thermodynamic data in the reaction equation; Based on the aforementioned thermodynamic data, calculate the free energy changes of the pure pyrolysis gas and the calcium oxide; Construct an expression for the equilibrium constant of the reaction equation; Based on the free energy change, the equilibrium constant of the equilibrium constant expression is calculated using the component ratio optimization model. By adjusting the ratio of CO and H2 in the pure pyrolysis gas using the equilibrium constant, the target pyrolysis gas is obtained.
5. The preparation method for increasing specific surface area and activity during the processing of calcium hydroxide as described in claim 4, characterized in that, The calculation of the free energy changes of the pure pyrolysis gas and the calcium oxide based on the thermodynamic data includes: Based on the thermal data, the standard enthalpy of formation and standard molar entropy of the pure pyrolysis gas and the calcium oxide are identified. Based on the standard enthalpy of formation, the enthalpy change of the reaction between the pure pyrolysis gas and the calcium oxide is calculated using the following formula: Where, ΔD 。 This represents the enthalpy change of the reaction between pure pyrolysis gas and calcium oxide, which is converted into calcium hydroxide. Ca(OH)₂ represents the reaction product, and ρ represents the number of moles of the reaction product. The standard enthalpy of formation represents the heat released or absorbed in the reaction that forms 1 mole of a substance under standard conditions. (CO, H2, CaO) represents the reactants, namely calcium hydroxide. CO and H2 represent carbon monoxide and hydrogen gas in the pure pyrolysis gas, and CaO represents calcium oxide. Based on the standard molar entropy, the entropy changes of the pure pyrolysis gas and the calcium oxide are calculated using the following formula: Wherein, ΔP 。 This represents the entropy change of pure pyrolysis gas and calcium oxide converted into calcium hydroxide, where Ca(OH)₂ represents the reaction product, namely calcium hydroxide, and ρ represents the number of moles of the reaction product. The standard molar entropy represents the entropy of 1 mole of a substance under standard conditions. (CO, H2, CaO) represents the reactants. CO and H2 represent carbon monoxide and hydrogen in pure pyrolysis gas, and CaO represents calcium oxide. Based on the enthalpy change and entropy change of the reaction, the free energy changes of the pure pyrolysis gas and the calcium oxide are calculated using the following formula: ΔG 。 =ΔD 。 -TΔP 。 Wherein, ΔG 。 ΔD represents the free energy change of pure pyrolysis gas and calcium oxide converted into calcium hydroxide. 。 ΔP represents the enthalpy change of the reaction between pure pyrolysis gas and calcium oxide in the conversion of calcium hydroxide. 。 This represents the entropy change of pure pyrolysis gas and calcium oxide in the conversion to calcium hydroxide, where T represents the absolute temperature.
6. The preparation method for increasing specific surface area and activity during the processing of calcium hydroxide as described in claim 5, characterized in that, The analysis of the thermodynamic properties of the target pyrolysis gas using the PR equation of state in the Aspen Plus simulation environment includes: Determine the molecular geometry and bond angles of the target pyrolysis gas; The molecular structure of the target pyrolysis gas is identified by the molecular geometry and the molecular bond angles. Based on the molecular structure, the eccentricity factor of the target pyrolysis gas was analyzed; Based on the eccentricity factor, calculate the state equation parameters of the PR state equation; The thermodynamic properties of the target pyrolysis gas are calculated based on the parameters of the equation of state, wherein the parameters of the equation of state include gas density, gas pressure, and gas temperature.
7. The preparation method for increasing specific surface area and activity during the processing of calcium hydroxide as described in claim 6, characterized in that, The calculation of the state equation parameters of the PR state equation based on the eccentricity factor includes: Based on the aforementioned eccentricity factor, the first coefficient of the PR state equation is calculated using the following formula: Where μ1 represents the first coefficient of the PR state equation, P o R represents the critical pressure of the target pyrolysis gas corresponding to the PR equation of state. a T represents the universal gas constant. o ∈1 and ∈2 represent the critical temperature of the target pyrolysis gas corresponding to the PR equation of state, and represent the eccentricity factors of the target pyrolysis gas corresponding to the PR equation of state. Based on the first coefficient, the second coefficient of the PR state equation is calculated using the following formula: Where μ2 represents the second coefficient of the PR state equation, μ1 represents the first coefficient of the PR state equation, and P o denoted by PR, the critical pressure of the target pyrolysis gas corresponding to the PR equation of state is given by PR, and P represents the pressure of the target pyrolysis gas corresponding to the PR equation of state. Based on the second coefficient, the state equation parameters of the PR state equation are calculated using the following formula: Where α represents the state equation parameter of the PR equation of state, P represents the pressure of the target pyrolysis gas corresponding to the PR equation of state, and μ2 represents the second coefficient of the PR equation of state.
8. The preparation method for increasing specific surface area and activity during the processing of calcium hydroxide as described in claim 7, characterized in that, The calculation of the thermodynamic properties of the target pyrolysis gas based on the parameters of the equation of state includes: Based on the parameters of the equation of state, the gas density of the target pyrolysis gas is calculated using the following formula: Where M represents the gas density of the target pyrolysis gas, P represents the pressure of the target pyrolysis gas corresponding to the PR equation of state, and R... a T represents the universal gas constant, α represents the state equation parameter of the PR equation of state, and T represents the general gas constant. f Indicates the reaction temperature of the target pyrolysis gas; Based on the gas density, the gas pressure of the target pyrolysis gas is calculated using the following formula: Where Y represents the gas pressure of the target pyrolysis gas, M represents the gas density of the target pyrolysis gas, and R... a T represents the universal gas constant, α represents the state equation parameter of the PR equation of state, and T represents the general gas constant. f Indicates the reaction temperature of the target pyrolysis gas; Based on the gas density, the gas temperature of the target pyrolysis gas is calculated using the following formula: Where ω represents the gas temperature of the target pyrolysis gas, Y represents the gas pressure of the target pyrolysis gas, M represents the gas density of the target pyrolysis gas, and R... a α represents the universal gas constant, and α represents the state equation parameter of the PR equation of state. The thermodynamic properties of the target pyrolysis gas are determined based on the gas density, the gas pressure, and the gas temperature.
9. The preparation method for increasing specific surface area and activity during the processing of calcium hydroxide as described in claim 8, characterized in that, The analysis of the simulation results of calcium hydroxide compared to the simulation optimization target includes: Determine the desired state of the simulation optimization objective; Based on the simulation optimization objective, the optimization objective data of the calcium hydroxide simulation results are extracted; Based on the optimization target data, analyze the current simulation state of the simulation optimization target; Analyze the simulated loss weights of the simulated optimization objective; Based on the desired state, the current simulation state, and the simulation loss weight, the simulation loss of the calcium hydroxide simulation result compared to the simulation optimization objective is calculated.
10. A preparation system for increasing specific surface area and activity during the processing of calcium hydroxide, characterized in that, The system includes: A carbon-containing raw material processing module is used to obtain carbon-containing raw materials of calcium oxide, pre-treat the carbon-containing raw materials to obtain processed carbon-containing raw materials, and pyrolyze the processed carbon-containing raw materials to obtain pyrolysis gases, wherein the pyrolysis gases include CO and H2; The pyrolysis gas optimization module is used to construct a selectively permeable membrane for the pyrolysis gas, remove impurities from the pyrolysis gas based on the selectively permeable membrane to obtain pure pyrolysis gas, and adjust the ratio of CO and H2 in the pure pyrolysis gas through a preset component ratio optimization model to obtain the target pyrolysis gas. A simulation environment construction module is used to determine the simulation optimization objectives of the calcium oxide, wherein the simulation optimization objectives include increasing the specific surface area and increasing the activity. Based on the simulation optimization objectives, an Aspen Plus simulation environment for the calcium oxide and the target pyrolysis gas is constructed. The calcium hydroxide simulation module is used to analyze the thermodynamic properties of the target pyrolysis gas using the PR equation of state in the Aspen Plus simulation environment, determine the catalysts for the target pyrolysis gas and the calcium oxide, analyze the catalyst properties, configure the initial process parameters of the parameter control module corresponding to the Aspen Plus simulation environment based on the thermodynamic properties and catalyst properties, and react the target pyrolysis gas, calcium oxide and catalyst in the plug flow reactor corresponding to the Aspen Plus simulation environment based on the initial process parameters to obtain the calcium hydroxide simulation results. The process parameter optimization module is used to analyze the simulation loss of the calcium hydroxide simulation results compared with the simulation optimization target, optimize the initial process parameters based on the simulation loss to obtain the target process parameters, and use the target pyrolysis gas, calcium oxide and catalyst to react based on the target process parameters to obtain the target calcium hydroxide.
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