Method for determining adsorption treatment material for harmful decomposition products of environment-friendly insulating gas

Abstract

The invention discloses a method for determining an adsorption treatment material for harmful decomposition products of environment-friendly insulating gas. According to the method, competitive adsorption parameters and adsorption selectivity parameters of the environment-friendly insulating gas and harmful decomposition products of the environment-friendly insulating gas are simulated and determined through molecular dynamics, and the weighted sum of the competitive adsorption parameters subjected to normalization processing and the adsorption selectivity parameters subjected to normalization processing is determined as an evaluation screening value of an adsorption processing material. And screening the adsorption treatment material according to the evaluation screening value. By means of molecular dynamics simulation, the accuracy of determining the competitive adsorption parameter and the adsorption selectivity parameter is improved, so that the adsorption materials are accurately and efficiently screened.

Description

Technical Field

[0001] The present application relates to the technical field of power system dispatching, and in particular to a method for determining a material for adsorbing and treating harmful decomposition products of environmentally friendly insulating gases. Background Art

[0002] SF6 is an insulating gas widely used in high-voltage electrical equipment. 6 It has a strong greenhouse effect, and its use is restricted under the "dual carbon" goal. In recent years, environmentally friendly insulating gas has attracted much attention due to its good insulation performance and environmentally friendly characteristics. However, partial discharge or overheating inside gas-insulated equipment will cause the environmentally friendly insulating gas to decompose and generate toxic and corrosive harmful products. These harmful products will not only reduce the insulation performance of the equipment, but also may cause potential harm to the environment and personnel, thus becoming one of the key factors affecting the safe operation of environmentally friendly gas-insulated equipment.

[0003] At present, the adsorption materials inside the existing gas-insulated equipment will have a strong adsorption effect on the main gas, and the all-round adsorption and treatment capacity of harmful products is limited. Therefore, it is of great significance to study the adsorption materials of harmful decomposition products of environmentally friendly insulating gas, which is expected to promote the widespread application of environmentally friendly insulating gas equipment and promote the research and development of related complete sets of equipment.

[0004] However, due to the wide variety of adsorbent materials, experimental methods in related technologies often find it difficult to accurately screen adsorbent materials. Summary of the invention

[0005] In view of this, the present application provides a method for determining an adsorption treatment material for harmful decomposition products of environmentally friendly insulating gas, which can accurately realize the screening of adsorption materials.

[0006] In a first aspect, the present application provides a method for determining an adsorption treatment material for harmful decomposition products of an environmentally friendly insulating gas, comprising: Determine the competitive adsorption parameters of environmentally friendly insulating gases and their harmful decomposition products based on molecular dynamics simulation; Determine the adsorption selectivity parameters of environmentally friendly insulating gases and their harmful decomposition products based on molecular dynamics simulation; The competitive adsorption parameters and adsorption selectivity parameters are each normalized, and the weighted sum of the normalized competitive adsorption parameters and the normalized adsorption selectivity parameters is established as the evaluation screening value of the adsorption treatment material, so as to determine the target adsorption treatment material according to the evaluation screening value.

[0007] Optionally, competitive adsorption parameters of environmentally friendly insulating gas and its harmful decomposition products are determined, including: Determine the total energy of the gas molecule system composed of environmentally friendly insulating gas and its harmful decomposition products based on molecular dynamics simulation; When the total energy does not change statistically significantly, it is defined that the gas molecule system reaches an equilibrium state; The molecular distribution state in the equilibrium state is determined based on the Monte Carlo statistical method, and then the competitive adsorption parameter is determined.

[0008] Optionally, the total energy of the gas molecule system composed of the environmentally friendly insulating gas and its harmful decomposition products is determined by the following formula:

[0009]

[0010]

[0011] In the formula, is the total energy, is the van der Waals interaction potential energy, is the electrostatic interaction potential energy, is the depth parameter of the adsorption treatment material, is the finite distance parameter of the adsorption treatment material, is the molecular distance, and are the charges of the two molecules, is the dielectric constant of vacuum.

[0012] Optionally, determining the molecular distribution in the equilibrium state based on a Monte Carlo statistical method, and then determining the competitive adsorption parameter, includes: Determine the probability of occurrence of acceptance behavior of gas molecules of environmentally friendly insulating gas and its harmful decomposition products in the adsorption treatment material, the acceptance behavior includes insertion, deletion and movement of molecules, and the probability of occurrence of the acceptance behavior is implemented by the following formula,

[0013]

[0014]

[0015] In the above formula, For each gas component, the initial number of molecules randomly distributed in the system is is the energy difference before and after the molecule accepts the behavior, is the Boltzmann constant, is the de Broglie thermal wavelength, is the volume of the gas molecule, is the thermodynamic temperature of the gas molecules, is the natural exponential function, is the chemical potential of the gas molecules; Predefined random numbers If the random number is less than the probability of the acceptance behavior, the acceptance behavior is judged to occur, otherwise it is judged that the acceptance behavior does not occur, and this operation is repeated until the gas molecule system reaches a state of equilibrium; Based on the occurrence of the acceptance behavior and the non-acceptance behavior, the molecular distribution state in the equilibrium state is determined, so as to determine the competitive adsorption parameter from the molecular distribution state.

[0016] Optionally, the competitive adsorption parameter is determined from the molecular distribution conditions by the following formula:

[0017] In the above formula, is the average number of adsorbed molecules in equilibrium, To set the number of steps to move, For the The number of molecules in the step.

[0018] Optionally, the chemical potential of the gas molecules Determined by the following formula:

[0019]

[0020] In the above formula, is the Boltzmann constant, is the de Broglie thermal wavelength, is the thermodynamic temperature of the gas molecules, is Planck's constant, is the mass of the gas molecules.

[0021] Optionally, the adsorption selectivity parameter of the harmful decomposition products of the environmentally friendly insulating gas is , determined by the following formula:

[0022] In the above formula, It is the sum of the adsorption amounts of harmful decomposition products of environmentally friendly insulating gas. is the total amount of adsorption of environmentally friendly insulating gas, is the molar concentration of harmful decomposition products of environmentally friendly insulating gas, is the molar concentration of the environmentally friendly insulating gas.

[0023] In a second aspect, the present application provides a device for determining an adsorption treatment material for harmful decomposition products of an environmentally friendly insulating gas, comprising: The first determination module is used to determine the competitive adsorption parameters of the environmentally friendly insulating gas and its harmful decomposition products; The second determination module is used to determine the adsorption selectivity parameters of the environmentally friendly insulating gas and its harmful decomposition products; The third determination module is used to normalize the competitive adsorption parameters and the adsorption selectivity parameters, and establish the weighted sum of the normalized competitive adsorption parameters and the normalized adsorption selectivity parameters as the evaluation screening value of the adsorption treatment material, so as to determine the target adsorption treatment material according to the evaluation screening value.

[0024] In a third aspect, the present application provides a computer-readable storage medium having a computer program stored thereon, which implements the above method when the computer program is executed by a processor.

[0025] In a fourth aspect, the present application provides an execution device, comprising a processor and a memory, wherein the processor is coupled to the memory; The memory is used to store programs; The processor is used to execute the program in the memory, so that the execution device executes the above method.

[0026] In the method disclosed in the present application, the competitive adsorption parameters and adsorption selectivity parameters of the environmentally friendly insulating gas and its harmful decomposition products are determined by molecular dynamics simulation, and the weighted sum of the normalized competitive adsorption parameters and the normalized adsorption selectivity parameters is established as the evaluation screening value of the adsorption treatment material, so as to screen the adsorption treatment material according to the evaluation screening value. With the help of molecular dynamics simulation, the accuracy of determining the competitive adsorption parameters and the adsorption selectivity parameters is improved, thereby accurately and efficiently realizing the screening of adsorption materials. BRIEF DESCRIPTION OF THE DRAWINGS

[0027] The technical solution and other beneficial effects of the present application will be made apparent by describing in detail the specific implementation methods of the present application in conjunction with the accompanying drawings.

[0028] Figure 1 An operational flow chart of a method for determining materials for adsorption treatment of harmful decomposition products of environmentally friendly insulating gas provided by an exemplary embodiment is shown.

[0029] Figure 2 An exemplary embodiment of an IRMOF series material for environmentally friendly insulating gas C is shown. 4 F 7 N / CO 2 Adsorption amount of harmful decomposition products of mixed gas.

[0030] Figure 3 An exemplary embodiment of an IRMOF series material for environmentally friendly insulating gas C is shown. 4 F 7 N / CO 2Harmful decomposition products of mixed gas to C 4 F 7 N / CO 2 Selectivity of gas mixtures.

[0031] Figure 4 A selectivity-adsorption amount comparison diagram of an IRMOF series material provided by an exemplary embodiment is shown.

[0032] Figure 5 An exemplary embodiment provides an evaluation screening value for an IRMOF series of materials.

[0033] Figure 6 A block diagram of a method and apparatus for determining materials for adsorbing harmful decomposition products of environmentally friendly insulating gas provided by an exemplary embodiment is shown.

[0034] Figure 7 A block diagram of the execution device provided by an exemplary embodiment is shown. DETAILED DESCRIPTION

[0035] In order to make the above-mentioned purposes, features and advantages of the present application more obvious and easy to understand, the specific implementation methods of the present application are described in detail below in conjunction with the accompanying drawings. In the following description, many specific details are set forth to facilitate a full understanding of the present application. However, the present application can be implemented in many other ways different from those described herein, and those skilled in the art can make similar improvements without violating the connotation of the present application, so the present application is not limited by the specific embodiments disclosed below. The terms "first", "second", etc. in the specification and claims of this application and the above-mentioned drawings are used to distinguish similar objects, and are not necessarily used to describe a specific order or sequence. It should be understood that the data used in this way can be interchangeable where appropriate, so that the embodiments described here can be implemented in an order other than that illustrated or described here. In addition, the terms "including" and "having" and any of their variations are intended to cover non-exclusive inclusions, for example, a process, method, system, product or device that includes a series of steps or modules is not necessarily limited to those steps or modules clearly listed, but may include other steps or modules that are not clearly listed or inherent to these processes, methods, products or devices. The naming or numbering of steps in this application does not mean that the steps in the method flow must be executed in the time / logical sequence indicated by the naming or numbering. The process steps that have been named or numbered can change the execution order according to the technical purpose to be achieved, as long as the same or similar technical effects can be achieved. The division of units in this application is a logical division. There may be other division methods when it is implemented in actual applications. For example, multiple units can be combined or integrated into another system, or some features can be ignored or not executed. In addition, the mutual coupling or direct coupling or communication connection shown or discussed can be through some interfaces, and the indirect coupling or communication connection between units can be electrical or other similar forms, which are not limited in this application. In addition, the units or sub-units described as separate components may or may not be physically separated, may or may not be physical units, or may be distributed in multiple circuit units, and some or all of the units may be selected according to actual needs to achieve the purpose of the present application.

[0036] The environmentally friendly insulating gas targeted by this method may include but is not limited to C 4 F 7 N / CO 2 Mixed gas, based on this type of mixed gas, harmful decomposition products include but are not limited to C 2 F 5 CN, C 2 F 6 , C 2 N 2 , C 3 F 6 , C 3 F 8 CF 3 CN、CF 4 , CO and COF 2 .

[0037] The adsorption treatment materials targeted by the present method include but are not limited to IRMOF-1 to IRMOF-16.

[0038] Please refer to Figure 1 ,in Figure 1 A flowchart of an exemplary embodiment of a method for determining a material for adsorbing harmful decomposition products of environmentally friendly insulating gas is shown. The method is implemented through steps 102-106.

[0039] In step 102, competitive adsorption parameters of the environmentally friendly insulating gas and its harmful decomposition products are determined based on molecular dynamics simulation.

[0040] Here, the term "molecular dynamics simulation" (MD simulation for short) refers to a molecular simulation method based on Newton's laws of motion, which is used to calculate the time-related properties of molecular systems. MD simulation can infer the future position, velocity and kinetic energy of the system based on information such as the current position, velocity and kinetic energy of the molecular system, thereby revealing the objective laws of molecular motion. Unlike single-point energy and molecular configuration optimization, MD simulation needs to consider thermal motion, and molecules can contain enough thermal energy to cross potential barriers. Based on the statistical analysis of the motion of each particle (including molecules, atoms, ions, etc.) in the molecular system, various properties of the system can be inferred, such as possible configurations, thermodynamic parameters, diffusion and behavior of molecules in solution, various equilibrium properties, etc.

[0041] The operation mode based on molecular dynamics simulation can be any computer software tool known to those skilled in the art, including but not limited to J-OCTA and the like.

[0042] As a more extensive demonstration form, the competitive adsorption parameters of environmentally friendly insulating gases and their harmful decomposition products are determined, including: Step 1021: Determine the total energy of the gas molecule system composed of the environmentally friendly insulating gas and its harmful decomposition products based on molecular dynamics simulation.

[0043] In molecular dynamics simulation theory, the core of the molecular dynamics method is the interaction potential function between atoms or molecules, that is, the mathematical function that describes the interaction between the adsorbent material and the gas molecules. It is necessary to select appropriate interaction potential functions according to the characteristics of the adsorbent material and the gas molecules to ensure the reliability and accuracy of the simulation. The total energy of the system includes the van der Waals interaction potential energy and the electrostatic interaction potential energy. The charge distribution and molecular force field will directly affect the simulation calculation results of the competitive adsorption amount through the calculation of energy changes and acceptance probabilities. Accurate molecular force fields and charge distribution can ensure that the energy changes in the subsequent adsorption amount calculation truly reflect the actual situation, thereby ensuring the accuracy and reliability of the adsorption amount calculation, which is the basis of adsorption simulation and calculation.

[0044] The total energy of the gas molecule system composed of the environmentally friendly insulating gas and its harmful decomposition products is determined by the following formula:

[0045]

[0046]

[0047] In the formula, is the total energy, is the van der Waals interaction potential energy and is calculated using the Lanner-Jones potential function, is the electrostatic interaction potential energy, is the depth parameter of the adsorption treatment material, is the finite distance parameter of the adsorption treatment material, is the molecular distance, and are the charges of the two molecules, is the dielectric constant of vacuum. If additional information is required, and Obtained from experimental data or commonly used molecular simulation force fields (such as UFF force field).

[0048] Step 1022: When the total energy does not change statistically significantly, it is defined that the gas molecule system reaches an equilibrium state.

[0049] It can be understood that, since the total energy of the system no longer changes significantly with time when the gas molecule system reaches equilibrium, the total energy of the system can be used as a criterion for reaching equilibrium. When reaching equilibrium, the adsorption amount no longer changes significantly with time, so the adsorption amount reaches dynamic saturation at this time, and can be used as a timing point for accurate calculation.

[0050] Step 1023: Determine the molecular distribution in the equilibrium state based on the Monte Carlo statistical method, and then determine the competitive adsorption parameter.

[0051] The Monte Carlo method is a statistical method that simulates and calculates the properties of complex systems through random sampling. For the adsorption process, this method simulates the random behavior of molecules in the adsorbent (insertion, deletion and movement of molecules), statistically calculates the molecular distribution in the equilibrium state of the system, and then calculates the adsorption amount.

[0052] As a more general demonstration, this step 1023 can be performed by the following process: Step 10231, determine the probability of occurrence of acceptance behavior of gas molecules of environmentally friendly insulating gas and its harmful decomposition products in the adsorption treatment material, the acceptance behavior includes insertion, deletion and movement of molecules, and the probability of occurrence of the acceptance behavior is executed by the following formula:

[0053]

[0054]

[0055] In the above formula, For each gas component, the initial number of molecules randomly distributed in the system is is the energy difference before and after the molecule accepts the behavior, is the Boltzmann constant, is the de Broglie thermal wavelength, is the volume of the gas molecule, is the thermodynamic temperature of the gas molecules, is the natural exponential function, is the chemical potential of the gas molecules.

[0056] Step 10232: Predefine random number If the random number is less than the probability of the acceptance behavior, the acceptance behavior is judged to occur, otherwise it is judged that the acceptance behavior does not occur, and this operation is repeated until the gas molecule system reaches a state of equilibrium.

[0057] It should be noted that the insertion, deletion, and movement of molecules by gas molecules are repeated until the system reaches a state of equilibrium.

[0058] In the above formula for the probability of acceptance behavior, the chemical potential of the gas molecules is Determined by the following formula:

[0059]

[0060] In the above formula, is the Boltzmann constant, is the de Broglie thermal wavelength, is the thermodynamic temperature of the gas molecules, is Planck's constant, is the mass of the gas molecules.

[0061] Step 10233: Based on the occurrence of the acceptance behavior and the non-acceptance behavior, determine the molecular distribution status under the equilibrium state, so as to determine the competitive adsorption parameters according to the molecular distribution status.

[0062] Since each step of gas molecule acceptance behavior will affect the molecular distribution in the gas molecule system, so that the system gradually approaches thermodynamic equilibrium, the molecular distribution state in the equilibrium state can be determined based on the results of the occurrence of acceptance behavior and non-acceptance behavior.

[0063] In this step 10233, the competitive adsorption parameter is determined based on the molecular distribution conditions, and is performed by the following formula:

[0064] In the above formula, is the average number of adsorbed molecules in equilibrium, To set the number of steps to move, For the The number of molecules in the step.

[0065] It can be understood that for the harmful decomposition products of the environmentally friendly insulating gas involved in this method, a multi-component competitive adsorption system containing multiple adsorbed gases is a multi-component competitive adsorption system. For the multi-component competitive adsorption system, the steps involved in the above text are used to determine the adsorption amount of each component. For each environmentally friendly insulating gas harmful decomposition product adsorption treatment material, the competitive adsorption amount of the environmentally friendly insulating gas and its decomposition products under a fixed pressure is calculated. The calculated adsorption amount of the harmful decomposition product is recorded as the evaluation parameter Q.

[0066] In order to deepen the understanding of the specific operation of step 102, a relatively broad application scenario of step 102 can be specifically illustrated. For example, to construct an environmentally friendly insulating gas C 4 F 7 N / CO 2 Mixed gas and its harmful decomposition products C 2 F 5 CN, C 2 F 6 , C 2 N 2 , C 3 F 6 , C 3 F 8 CF 3 CN、CF 4 , CO and COF 2 The molecular configuration of the IRMOF-1 to IRMOF-16 adsorption treatment materials was analyzed by the environmentally friendly insulating gas C under a pressure of 0.15 MPa. 4 F 7 N / CO 2 Mixed gas and its harmful decomposition products C 2 F 5 CN, C 2 F 6 , C 2 N 2 , C 3 F 6 , C 3 F 8 CF 3 CN、CF 4The calculated adsorption amount of harmful decomposition products is recorded as the evaluation parameter Q. The adsorption amount of harmful decomposition products is calculated as Figure 2 shown.

[0067] The depth parameters and finite distance parameters in the van der Waals interaction potential energy calculation are obtained through the Universal force field, and the charge parameters in the electrostatic interaction potential energy are obtained through quantum chemical calculation. The number of simulation calculation equilibrium steps is 1*10 6 , the number of production steps is 1*10 6 . The Ewald method is used to calculate the summation of electrostatic interactions, and the Atom based method is used to calculate the summation of van der Waals interactions. The cutoff distance set by the Atom based method is 15.5 Å, and the unit cell models of each IRMOF series material are super-celled so that all side lengths of the unit cell model of the adsorbed material are greater than twice the cutoff distance, that is, 31 Å. This processing method takes into account both computational efficiency and accuracy, and provides a reliable basis for simulation.

[0068] In step 104, adsorption selectivity parameters of the environmentally friendly insulating gas and its harmful decomposition products are determined based on molecular dynamics simulation.

[0069] As a more extensive demonstration form, the adsorption selectivity parameters of harmful decomposition products of environmentally friendly insulating gas are , determined by the following formula:

[0070] In the above formula, It is the sum of the adsorption amounts of harmful decomposition products of environmentally friendly insulating gas. is the total amount of adsorption of environmentally friendly insulating gas, is the molar concentration of harmful decomposition products of environmentally friendly insulating gas, is the molar concentration of the environmentally friendly insulating gas.

[0071] It should be added that in the adsorption selectivity parameter In the formula, the molar concentration ratio of harmful decomposition products of environmentally friendly insulating gas to environmentally friendly insulating gas is equivalent to the pressure ratio of harmful decomposition products of environmentally friendly insulating gas to environmentally friendly insulating gas in the previous competitive adsorption amount calculation formula.

[0072] In order to deepen the understanding of the specific operation of step 104, a relatively broad application scenario of step 104 can be specifically illustrated. In this embodiment, the molar concentration ratio of the harmful decomposition products of the environmentally friendly insulating gas to the environmentally friendly insulating gas is 4.5. The calculated selectivity value of the harmful decomposition products is recorded as the evaluation parameter S. The selectivity of the harmful decomposition products is as follows: Figure 3 shown.

[0073] In step 106, the competitive adsorption parameters and the adsorption selectivity parameters are normalized, and the weighted sum of the normalized competitive adsorption parameters and the normalized adsorption selectivity parameters is established as the evaluation screening value of the adsorption treatment material, so as to determine the target adsorption treatment material according to the evaluation screening value.

[0074] The adsorption parameters Q and selectivity parameters S of the harmful decomposition products of the environmentally friendly insulating gas of the adsorption treatment material are normalized respectively, and the following normalization method is used for processing:

[0075]

[0076] in, It represents the normalized processing parameter of the adsorption amount of harmful decomposition products of environmentally friendly insulating gas. It represents the normalized treatment parameter of the adsorption selectivity of harmful decomposition products of environmentally friendly insulating gas. Respectively represent the adsorption parameters of harmful decomposition products of environmentally friendly insulating gas The maximum value of Indicates the selectivity parameter for adsorption of harmful decomposition products of environmentally friendly insulating gas The maximum value of Respectively represent the adsorption parameters of harmful decomposition products of environmentally friendly insulating gas The maximum value of Indicates the selectivity parameter for adsorption of harmful decomposition products of environmentally friendly insulating gas The maximum value of .

[0077] Setting the screening value for adsorption material evaluation , which includes the normalized treatment parameters of the adsorption amount of harmful decomposition products and selective normalization parameters , and weight them according to the importance of relevant parameters (the weights are recorded as , , for example, the weights are recorded as 0.6 and 0.4 respectively), that is, the screening value According to the calculated evaluation and screening values ​​of each adsorption material, the evaluation and screening of the adsorption treatment of harmful decomposition products of environmentally friendly insulating gas can be carried out, providing a quantitative basis.

[0078] It is conceivable that the adsorption materials are sorted according to their screening values ​​and the material with the highest screening value is selected as the best choice for adsorption treatment of harmful decomposition products of environmentally friendly insulating gases.

[0079] In order to deepen the understanding of the specific operation of step 106, a relatively broad application scenario of step 106 can be specifically illustrated. For example, the screening value score of each IRMOF adsorbent material is determined as follows: Figure 5 As shown in the figure, it can provide a quantitative basis for the evaluation and screening of environmentally friendly insulating gas harmful decomposition product adsorption treatment materials. In the figure, IRMOF-16 has the highest screening value, so it can be used as the preferred material for the screening of environmentally friendly insulating gas harmful decomposition product adsorption treatment materials in the IRMOF series.

[0080] Please refer to Figure 6 , which shows a block diagram of the composition of the method and device for determining the material for adsorbing harmful decomposition products of environmentally friendly insulating gas provided by the present application. The device 200 includes: A first determination module 202 is used to determine competitive adsorption parameters of environmentally friendly insulating gas and its harmful decomposition products; The second determination module 204 is used to determine the adsorption selectivity parameters of harmful environmental insulating gas and its decomposition products; The third determination module 206 is used to normalize the competitive adsorption parameters and the adsorption selectivity parameters, and establish the weighted sum of the normalized competitive adsorption parameters and the normalized adsorption selectivity parameters as the evaluation screening value of the adsorption treatment material, so as to determine the target adsorption treatment material according to the evaluation screening value.

[0081] Since the above methods have been discussed in detail, the specific implementation of the above modules will not be repeated here.

[0082] Next, an execution device provided by an embodiment of the present application is introduced. Figure 7 , Figure 7 This is a schematic diagram of a structure of an execution device provided in an embodiment of the present application. The execution device 300 can be specifically manifested as an autonomous driving vehicle, a mobile phone, a tablet, a laptop computer, a desktop computer, a monitoring data processing device, etc., which is not limited here. Figure 1 The functions of the execution device in the corresponding embodiment. Specifically, the execution device 300 includes: a receiver 301, a transmitter 302, a processor 303 and a memory 304 (wherein the number of the processor 303 in the execution device 300 can be one or more, Figure 7 In the example of FIG. 3 , the processor 303 may include an application processor 3031 and a communication processor 3032. In some embodiments of the present application, the receiver 301, the transmitter 302, the processor 303 and the memory 304 may be connected via a bus or other means.

[0083] The memory 304 may include a read-only memory and a random access memory, and provides instructions and data to the processor 303. A portion of the memory 304 may also include a non-volatile random access memory (NVRAM). The memory 304 stores processor and operation instructions, executable modules or data structures, or subsets thereof, or extended sets thereof, wherein the operation instructions may include various operation instructions for implementing various operations.

[0084] The processor 303 controls the operation of the execution device. In a specific application, the various components of the execution device are coupled together through a bus system, wherein the bus system includes not only a data bus but also a power bus, a control bus, and a status signal bus, etc. However, for the sake of clarity, various buses are referred to as bus systems in the figure.

[0085] The method disclosed in the above embodiment of the present application can be applied to the processor 303, or implemented by the processor 303. The processor 303 can be an integrated circuit chip with signal processing capabilities. In the implementation process, each step of the above method can be completed by the hardware integrated logic circuit or software instructions in the processor 303. The above processor 303 can be a general processor, a digital signal processor (digital signal processing, DSP), a microprocessor or a microcontroller, and can further include an application specific integrated circuit (application specific integrated circuit, ASIC), a field programmable gate array (field-programmable gate array, FPGA) or other programmable logic devices, discrete gates or transistor logic devices, discrete hardware components. The processor 303 can implement or execute the various methods, steps and logic block diagrams disclosed in the embodiments of the present application. The general processor can be a microprocessor or the processor can also be any conventional processor, etc. The steps of the method disclosed in the embodiment of the present application can be directly embodied as a hardware decoding processor to execute, or it can be executed by a combination of hardware and software modules in the decoding processor. The software module may be located in a storage medium mature in the art, such as a random access memory, a flash memory, a read-only memory, a programmable read-only memory, or an electrically erasable programmable memory, a register, etc. The storage medium is located in the memory 304, and the processor 303 reads the information in the memory 304 and completes the steps of the above method in combination with its hardware.

[0086] The receiver 301 can be used to receive input digital or character information and generate signal input related to the relevant settings and function control of the execution device. The transmitter 302 can be used to output digital or character information through the first interface; the transmitter 302 can also be used to send instructions to the disk group through the first interface to modify the data in the disk group; the transmitter 302 can also include a display device such as a display screen.

[0087] In the embodiment of the present application, the processor 303 is used to execute Figure 1 The specific manner in which the application processor 3031 in the processor 303 performs the above steps is the same as that in the present application. Figure 1 The corresponding method embodiments are based on the same concept, and the technical effects they bring are the same as those in this application. Figure 1 The corresponding method embodiments are the same. For specific contents, please refer to the description in the method embodiments shown above in this application, which will not be repeated here.

[0088] The above is only a preferred specific implementation of the present application, but the protection scope of the present application is not limited thereto. Any changes or substitutions that can be easily conceived by any technician familiar with the technical field within the technical scope disclosed in the present application should be covered within the protection scope of the present application.

Claims

1. A method for determining an adsorption treatment material for harmful decomposition products of environmentally friendly insulating gas, characterized in that: include: Determine the competitive adsorption parameters of environmentally friendly insulating gases and their harmful decomposition products based on molecular dynamics simulation; Determine the adsorption selectivity parameters of environmentally friendly insulating gases and their harmful decomposition products based on molecular dynamics simulation; The competitive adsorption parameters and adsorption selectivity parameters are each normalized, and the weighted sum of the normalized competitive adsorption parameters and the normalized adsorption selectivity parameters is established as the evaluation screening value of the adsorption treatment material, so as to determine the target adsorption treatment material according to the evaluation screening value.

2. The method according to claim 1, characterized in that Determine the competitive adsorption parameters of environmentally friendly insulating gases and their harmful decomposition products, including: Determine the total energy of the gas molecule system composed of environmentally friendly insulating gas and its harmful decomposition products based on molecular dynamics simulation; When the total energy does not change statistically significantly, it is defined that the gas molecule system reaches an equilibrium state; The molecular distribution state in the equilibrium state is determined based on the Monte Carlo statistical method, and then the competitive adsorption parameter is determined.

3. The method according to claim 1, characterized in that The total energy of the gas molecule system composed of the environmentally friendly insulating gas and its harmful decomposition products is determined by the following formula: In the formula, is the total energy, is the van der Waals interaction potential energy, is the electrostatic interaction potential energy, is the depth parameter of the adsorption treatment material, is the finite distance parameter of the adsorption treatment material, is the molecular distance, and are the charges of the two molecules, is the dielectric constant of vacuum.

4. The method according to claim 1, characterized in that Determining the molecular distribution in the equilibrium state based on the Monte Carlo statistical method, and then determining the competitive adsorption parameters, includes: Determine the probability of occurrence of acceptance behavior of gas molecules of environmentally friendly insulating gas and its harmful decomposition products in the adsorption treatment material, the acceptance behavior includes insertion, deletion and movement of molecules, and the probability of occurrence of the acceptance behavior is implemented by the following formula, In the above formula, For each gas component, the initial number of molecules randomly distributed in the system is is the energy difference before and after the molecule accepts the behavior, is the Boltzmann constant, is the de Broglie thermal wavelength, is the volume of the gas molecule, is the thermodynamic temperature of the gas molecules, is the natural exponential function, is the chemical potential of the gas molecules; Predefined random numbers If the random number is less than the probability of the acceptance behavior, the acceptance behavior is judged to occur, otherwise it is judged that the acceptance behavior does not occur, and this operation is repeated until the gas molecule system reaches a state of equilibrium; Based on the occurrence of the acceptance behavior and the non-acceptance behavior, the molecular distribution state in the equilibrium state is determined, so as to determine the competitive adsorption parameter from the molecular distribution state.

5. The method according to claim 4, characterized in that The competitive adsorption parameters are determined from the molecular distribution conditions and are performed by the following formula: In the above formula, is the average number of adsorbed molecules in equilibrium, To set the number of steps to move, For the The number of molecules in the step.

6. The method according to claim 4, characterized in that The chemical potential of the gas molecules Determined by the following formula: In the above formula, is the Boltzmann constant, is the de Broglie thermal wavelength, is the thermodynamic temperature of the gas molecules, is Planck's constant, is the mass of the gas molecules.

7. The method according to claim 1, characterized in that Adsorption selectivity parameters of harmful decomposition products of the environmentally friendly insulating gas , determined by the following formula: In the above formula, It is the sum of the adsorption amounts of harmful decomposition products of environmentally friendly insulating gas. is the total amount of adsorption of environmentally friendly insulating gas, is the molar concentration of harmful decomposition products of environmentally friendly insulating gas, is the molar concentration of the environmentally friendly insulating gas.

8. A device for determining materials for adsorbing harmful decomposition products of environmentally friendly insulating gas, characterized in that: include: A first determination module is used to determine the competitive adsorption parameters of the environmentally friendly insulating gas and its harmful decomposition products based on molecular dynamics simulation; A second determination module is used to determine the adsorption selectivity parameters of the environmentally friendly insulating gas and its harmful decomposition products based on molecular dynamics simulation; The third determination module is used to normalize the competitive adsorption parameters and the adsorption selectivity parameters, and establish the weighted sum of the normalized competitive adsorption parameters and the normalized adsorption selectivity parameters as the evaluation screening value of the adsorption treatment material, so as to determine the target adsorption treatment material according to the evaluation screening value.

9. A computer-readable storage medium having a computer program stored thereon, characterized in that: When the computer program is executed by a processor, the method according to any one of claims 1 to 7 is implemented.

10. An execution device, characterized in that: comprising a processor and a memory, wherein the processor is coupled to the memory; The memory is used to store programs; The processor is configured to execute the program in the memory so that the execution device executes the method according to any one of claims 1 to 7.

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