阅读说明：本技术 新型环保绝缘气体与设备内固体材料相容性的评估方法 (Method for evaluating compatibility of novel environment-friendly insulating gas and solid material in equipment ) 是由 张晓星 田双双 兰佳琪 张国治 于 2021-09-26 设计创作，主要内容包括：本发明公开了一种新型环保绝缘气体与设备内固体材料相容性的评估方法,结合物理实验和仿真计算所获取的数据,建立相应的物理实验权值、仿真计算权值及两者之间的函数关系,并根据物理实验权值、仿真计算权值及两者之间的函数关系,对绝缘气体与设备内固体材料的相容性进行评估,该方法很好地结合了多种相容性评估手段,能够显著提高对绝缘气体与设备内固体材料相容性评估的准确度。(The invention discloses a novel method for evaluating compatibility of environment-friendly insulating gas and solid materials in equipment, which combines data obtained by physical experiments and simulation calculation to establish corresponding physical experiment weight, simulation calculation weight and functional relation between the physical experiment weight and the simulation calculation weight, and evaluates the compatibility of the insulating gas and the solid materials in the equipment according to the physical experiment weight, the simulation calculation weight and the functional relation between the physical experiment weight and the simulation calculation weight.)

1. A method for evaluating the compatibility of a novel environment-friendly insulating gas and a solid material in equipment is characterized by comprising the following steps:

acquiring a plurality of items of physical experimental data after the action of the insulating gas to be selected and the solid material to be selected, giving corresponding weights to the physical experimental data, and establishing a set A;

obtaining SF₆Giving corresponding weights to various physical experimental data and establishing a set A' by using a plurality of physical experimental data after the gas and the solid material to be selected act;

forming a set A ' by absolute difference values of weights corresponding to the same type of physical experiment data in the set A and the set A ', and obtaining a physical experiment weight by combining weight relations among elements in the set A ';

acquiring a plurality of simulation calculation data after the action of the insulating gas to be selected and the solid material to be selected, giving corresponding weight values to all the simulation calculation data, and establishing a set B;

obtaining SF₆Giving corresponding weight values to various simulation calculation data after the gas and the solid material to be selected act, and establishing a set B';

forming a set B ' by absolute difference values of weights corresponding to the simulation calculation data of the same type in the set B and the set B ', and obtaining the simulation calculation weight by the weight relationship among elements in the set B ';

and establishing a first weight relation between the physical experiment weight and the simulation calculation weight, and evaluating the compatibility between the insulating gas to be selected and the solid material to be selected according to the physical experiment weight, the simulation calculation weight and the first weight relation.

2. The method according to claim 1, wherein the first weight relationship is a functional relationship using a physical experiment weight and a simulation calculation weight as arguments, and satisfies the relationship Z ═ aX + bY, where X is the physical experiment weight, Y is the simulation calculation weight, a and b are primary weight constants, and a + b is 1, and Z is used to evaluate the compatibility between the insulating gas to be selected and the solid material to be selected.

3. The method for evaluating the compatibility of the novel environment-friendly insulating gas with the solid material in the equipment according to claim 2, wherein the physical experimental data is obtained by a solid test experiment and a gas test experiment;

the solid test experiment comprises a solid material surface appearance test, a solid material surface element test and a solid material mechanical property test, and the gas test experiment comprises a gas decomposition product type and concentration test.

4. The method for evaluating the compatibility of the novel environment-friendly insulating gas and the solid material in the equipment according to claim 3, wherein the test of the surface morphology of the solid material is to test the degree of surface roughness of the solid material to be selected, the number of precipitated crystal particles and the change degree of surface color, and a first experiment weight is established according to test data;

the solid material surface element test is to test the variation degree of the surface element type or content of the solid material to be selected, and a second experiment weight is established according to the test data;

the mechanical property test of the solid material is to test the change degree of the tensile strength of the solid material to be selected, and a third experiment weight is established according to the test data;

the gas test experiment is to test the variety and the concentration change degree of the decomposition product of the gas to be selected, and establish a fourth experiment weight according to the test data;

the number of elements contained in the set A, the set A 'and the set A' is 4.

5. The method for evaluating the compatibility of the novel environment-friendly insulating gas and the solid material in the equipment according to claim 4, wherein the step of obtaining the weight of the physical experiment comprises the following steps:

and establishing a second weight relation among the first experiment weight, the second experiment weight, the third experiment weight and the fourth experiment weight, and obtaining the physical experiment weight according to the first experiment weight, the second experiment weight, the third experiment weight, the fourth experiment weight and the second weight relation.

6. The method of claim 5, wherein the second weight relationship is a function relationship using the first, second, third and fourth experimental weights as independent variables and the physical experimental weight as a dependent variable, and satisfies the relationship X-n₁x₁+n₂x₂+n₃x₃+n₄x₄Wherein x is₁、x₂、x₃And x₄All are the first experiment weight, the second experiment weight, the third experiment weight and the fourth experiment weight, n₁、n₂、n₃And n₄Are respectively two-stage weight constants, and n₁+n₂+n₃+n₄And X is the weight of the physical experiment as 1.

7. The method for evaluating the compatibility of a novel environment-friendly insulating gas with a solid material in equipment according to claim 2, wherein the simulation calculation data is obtained by simulation calculation of a density functional theory and a molecular dynamics theory respectively:

the simulation calculation based on the density functional theory comprises adsorption energy, charge transfer and state density;

the simulation calculation based on the molecular dynamics theory comprises a solubility parameter, a diffusion coefficient and interaction energy.

8. The method for evaluating the compatibility of a novel environment-friendly insulating gas with a solid material in equipment according to claim 7, wherein the adsorption energy is based on a density functional theory, the interaction energy generated between the insulating gas and the solid material to be selected after the insulating gas and the solid material to be selected act is subjected to simulation calculation, and a first simulation weight is established according to data obtained by the simulation calculation;

the charge transfer is based on a density functional theory, after the insulating gas and the solid material to be selected are acted, the charge transfer difference between the insulating gas and the solid material to be selected is subjected to simulation calculation, and a second simulation weight is established according to data obtained by the simulation calculation;

the state density is based on a density functional theory, simulation calculation is carried out on the change value of the electronic state density before and after the action of the insulating gas and the solid material to be selected, and a third simulation weight is established according to data obtained by the simulation calculation;

the solubility parameter is based on a molecular dynamics theory, after the insulating gas and the solid material to be selected are acted, the absolute difference value of the solubility parameter of the insulating gas and the solubility parameter of the solid material is subjected to simulation calculation, and a fourth simulation weight is established according to data obtained by the simulation calculation;

the diffusion coefficient is based on a molecular dynamics theory, after the insulating gas and the solid material to be selected are acted, the permeation and diffusion degree values of the insulating gas in the solid material are subjected to simulation calculation, and a fifth simulation weight is established according to data obtained by the simulation calculation;

the interaction energy is based on a molecular dynamics theory, the energy change value of a system consisting of the insulating gas and the solid material to be selected before and after the insulating gas and the solid material to be selected are subjected to simulation calculation, and a sixth simulation weight is established according to data obtained by the simulation calculation;

the number of elements contained in the set B, the set B 'and the set B' is all 6.

9. The method for evaluating the compatibility of the novel environment-friendly insulating gas and the solid material in the equipment according to claim 8, wherein the step of obtaining the weight value of the simulation calculation comprises the following steps:

and establishing a third weight relationship among the first simulation weight, the second simulation weight, the third simulation weight, the fourth simulation weight, the fifth simulation weight and the sixth simulation weight, and obtaining the simulation calculation weight according to the first simulation weight, the second simulation weight, the third simulation weight, the fourth simulation weight, the fifth simulation weight, the sixth simulation weight and the third weight relationship.

10. The method of claim 9, wherein the third weight relationship is a function relationship in which the first simulation weight, the second simulation weight, the third simulation weight, the fourth simulation weight, the fifth simulation weight, and the sixth simulation weight are independent variables, and the simulation calculation weight is a dependent variable, and the relationship Y ═ m₁y₁+m₂y₂+m₃y₃+m₄y₄+m₅y₅+m₆y₆Wherein y is₁、y₂、y₃、y₄、y₅And y₆Are respectively the firstThe simulation weight, the second simulation weight, the third simulation weight, the fourth simulation weight, the fifth simulation weight and the sixth simulation weight, m₁、m₂、m₃、m₄、m₅And m₆Are all three-level weight constants, and m₁+m₂+m₃+m₄+m₅+m₆And Y is the simulation calculation weight value 1.

Technical Field

The invention relates to the field of detection of insulating gas of a power system, in particular to a method for evaluating compatibility of novel environment-friendly insulating gas and solid materials in equipment.

Background

Current sulfur hexafluoride gas (SF)₆) Because of its excellent physical and chemical properties, it is widely used in the industries of electric power equipment, metal smelting, semiconductor manufacturing, aerospace, etc. However, SF₆High global warming potential, about CO₂23500 times of that of the general expression of the gene and is 1997' Kyoto protocolOne of the six greenhouse effect gases specified in (1). Therefore, a new environment-friendly insulating gas is sought to reduce SF₆The use of electrical devices is a hot spot and difficulty of research in the power industry at present.

At present, researchers at home and abroad are researching that novel environment-friendly insulating gas has C₄F₇N、C₅F₁₀O and C₆F₁₂O, and the like. Research on novel environment-friendly insulating gases mainly relates to insulating properties, partial discharge characteristics, compatibility and the like. Wherein the insulating gas and SF₆The compatibility of heterogeneous solid materials (such as metal, sealing rubber, epoxy resin and the like) commonly used in equipment is very important to research. If the environmentally-friendly insulating gas or the decomposition product thereof reacts with the solid material, the damage to the electrical equipment, the gas leakage, and even the potential safety hazard and economic loss may be caused.

The evaluation of the compatibility of the insulating gas with the solid material is mainly shown in two aspects, on one hand, the insulating gas is influenced by the solid material to be decomposed, so that the insulating property is reduced; on the other hand, the physical and chemical properties of the solid material are changed under the influence of the insulating gas, so that the insulating or sealing performance of the solid material is reduced. At present, research schemes are mainly provided from one or more aspects aiming at the compatibility between the insulating gas and the solid material, however, most of the schemes are single in focus, cannot meet the performance detection requirements of multiple aspects, lack a set of complete evaluation system, and are difficult to accurately evaluate the compatibility between the insulating gas and the heterogeneous solid material through the traditional single evaluation means. Therefore, a research and evaluation method for compatibility between the novel environment-friendly insulating gas and key solid materials in the equipment needs to be established, and technical and theoretical guidance is provided for selection of the solid materials of the insulating gas in the insulated switchgear.

Disclosure of Invention

The invention aims to provide a novel evaluation method for compatibility of environment-friendly insulating gas and solid materials in equipment, which is used for solving the problem that the compatibility of the insulating gas and the solid materials in the equipment is difficult to accurately evaluate by using a traditional single evaluation means.

In order to solve the technical problems, the invention provides a method for evaluating the compatibility of a novel environment-friendly insulating gas and a solid material in equipment, which comprises the following steps: acquiring a plurality of items of physical experimental data after the action of the insulating gas to be selected and the solid material to be selected, giving corresponding weights to the physical experimental data, and establishing a set A; obtaining SF₆Giving corresponding weights to various physical experimental data and establishing a set A' by using a plurality of physical experimental data after the gas and the solid material to be selected act; forming a set A by absolute difference values of weights corresponding to the same type of physical experiment data in the set A and the set A ', and obtaining a physical experiment weight by combining weight relations among elements in the set A'; acquiring a plurality of simulation calculation data after the action of the insulating gas to be selected and the solid material to be selected, giving corresponding weight values to all the simulation calculation data, and establishing a set B; obtaining SF₆Giving corresponding weight values to various simulation calculation data after the gas and the solid material to be selected act, and establishing a set B'; forming a set B ' by absolute difference values of weights corresponding to the simulation calculation data of the same type in the set B and the set B ', and obtaining the simulation calculation weight by the weight relation among all elements in the set B '; and establishing a first weight relation between the physical experiment weight and the simulation calculation weight, and evaluating the compatibility between the insulating gas to be selected and the solid material to be selected according to the physical experiment weight, the simulation calculation weight and the first weight relation.

The first weight relationship is a functional relationship taking a physical experiment weight and a simulation calculation weight as independent variables, and satisfies a relational expression Z ═ aX + bY, wherein X is the physical experiment weight, Y is the simulation calculation weight, a and b are primary weight constants, a + b ═ 1, and Z is used for evaluating the compatibility between the insulating gas to be selected and the solid material to be selected.

Wherein, the physical experiment data is obtained through a solid test experiment and a gas test experiment; the solid test experiment comprises a solid material surface appearance test, a solid material surface element test and a solid material mechanical property test, and the gas test experiment comprises a gas decomposition product type and concentration test.

The testing of the surface topography of the solid material comprises testing the surface roughness degree of the solid material to be selected, the number of precipitated crystal particles and the change degree of surface color, and establishing a first experiment weight according to test data; the solid material surface element test is to test the change degree of the surface element type or content of the solid material to be selected, and a second experiment weight is established according to the test data; the mechanical property test of the solid material is to test the tensile strength change degree of the solid material to be selected, and a third experiment weight is established according to the test data; the gas test experiment is to test the variety and the concentration change degree of the gas decomposition product of the solid material to be selected, and establish a fourth experiment weight according to the test data; the number of elements contained in set A, set A 'and set A' is 4.

The method comprises the following steps of: and establishing a second weight relation among the first experiment weight, the second experiment weight, the third experiment weight and the fourth experiment weight, and obtaining a physical experiment weight according to the first experiment weight, the second experiment weight, the third experiment weight, the fourth experiment weight and the second weight relation.

The second weight relationship is a functional relationship which takes the first experiment weight, the second experiment weight, the third experiment weight and the fourth experiment weight as independent variables and takes the physical experiment weight as a dependent variable, and satisfies the relationship X-n₁x₁+n₂x₂+n₃x₃+n₄x₄Wherein x is₁、x₂、x₃And x₄Are all a first experiment weight, a second experiment weight, a third experiment weight and a fourth experiment weight, n₁、n₂、n₃And n₄Are respectively two-stage weight constants, and n₁+n₂+n₃+n₄X is the weight of the physical experiment 1.

Wherein, the simulation calculation data are respectively obtained by the simulation calculation of the density functional theory and the molecular dynamics theory: simulation calculation based on the density functional theory comprises adsorption energy, charge transfer and state density; the simulation calculation based on the molecular dynamics theory comprises a solubility parameter, a diffusion coefficient and interaction energy.

The adsorption energy is based on a density functional theory, after the insulation gas and the solid material to be selected are acted, the interaction energy generated between the insulation gas and the solid material to be selected is subjected to simulation calculation, and a first simulation weight is established according to data obtained by the simulation calculation; the charge transfer is based on a density functional theory, after the insulating gas and the solid material to be selected are acted, the charge transfer difference between the insulating gas and the solid material to be selected is subjected to simulation calculation, and a second simulation weight is established according to data obtained by the simulation calculation; the state density is based on a density functional theory, the change value of the electronic state density before and after the action of the insulating gas and the solid material to be selected is subjected to simulation calculation, and a third simulation weight is established according to data obtained by the simulation calculation; the solubility parameter is based on a molecular dynamics theory, after the insulating gas and the solid material to be selected are acted, the absolute difference value of the solubility parameter of the insulating gas and the solubility parameter of the solid material is subjected to simulation calculation, and a fourth simulation weight is established according to data obtained by the simulation calculation; the diffusion coefficient is based on a molecular dynamics theory, after the insulating gas and the solid material to be selected are acted, the permeation and diffusion degree values of the insulating gas in the solid material are subjected to simulation calculation, and a fifth simulation weight is established according to data obtained by the simulation calculation; the interaction energy is based on a molecular dynamics theory, the energy change value of a system consisting of the insulating gas and the solid material to be selected before and after the insulating gas and the solid material to be selected are subjected to simulation calculation, and a sixth simulation weight is established according to data obtained by the simulation calculation; the number of elements contained in set B, set B 'and set B' is all 6.

The method comprises the following steps of: and establishing a third weight relationship among the first simulation weight, the second simulation weight, the third simulation weight, the fourth simulation weight, the fifth simulation weight and the sixth simulation weight, and obtaining a simulation calculation weight according to the first simulation weight, the second simulation weight, the third simulation weight, the fourth simulation weight, the fifth simulation weight, the sixth simulation weight and the third weight relationship.

Wherein the third weight relationship is represented by the first simulation weight, the second simulation weight, the third simulation weight and the fourth simulation weightThe fifth simulation weight and the sixth simulation weight are independent variables, the simulation calculation weight is used as a function relation of a dependent variable, and the relation Y-m is satisfied₁y₁+m₂y₂+m₃y₃+m₄y₄+m₅y₅+m₆y₆Wherein y is₁、y₂、y₃、y₄、y₅And y₆Respectively a first simulation weight, a second simulation weight, a third simulation weight, a fourth simulation weight, a fifth simulation weight and a sixth simulation weight, m₁、m₂、m₃、m₄、m₅And m₆Are all three-level weight constants, and m₁+m₂+m₃+m₄+m₅+m₆And Y is a simulation calculation weight value 1.

The method for evaluating the compatibility of the novel environment-friendly insulating gas and the solid material in the equipment performs a test through a compatibility test device, wherein the compatibility test device comprises a first gas supply bottle, a second gas supply bottle, a vacuum pump, a gas chamber box, a sample frame and a barometer; after being communicated and gathered through a pipeline, the first air supply bottle and the second air supply bottle are respectively communicated with the vacuum pump and the air chamber box, and the sample rack is arranged in the inner cavity of the air chamber box; the first gas supply bottle and the second gas supply bottle respectively contain buffer and insulating gas for testing, and the sample rack is used for bearing solid materials to be selected; the barometer is communicated with the inner cavity of the air chamber box and used for testing the air pressure in the air chamber box.

The invention has the beneficial effects that: the method is characterized in that a physical experiment and simulation calculation data are combined to establish a corresponding physical experiment weight, a corresponding simulation calculation weight and a functional relation between the physical experiment weight and the simulation calculation weight, and the compatibility of the insulating gas and the solid material in the equipment is evaluated according to the physical experiment weight, the simulation calculation weight and the functional relation between the physical experiment weight and the simulation calculation weight.

Drawings

FIG. 1 is a flow chart of one embodiment of the method of evaluating compatibility of a novel environmentally friendly insulating gas with solid materials in equipment according to the present invention;

FIG. 2 is a schematic structural diagram of an embodiment of the compatibility testing apparatus of the present invention.

Detailed Description

The technical solutions in the embodiments of the present invention will be clearly and completely described below with reference to the embodiments of the present invention, and it is obvious that the described embodiments are only a part of the embodiments of the present invention, and not all of the embodiments. All other embodiments, which can be obtained by a person skilled in the art without any inventive step based on the embodiments of the present invention, are within the scope of the present invention.

Referring to fig. 1, the method for evaluating the compatibility of the novel environment-friendly insulating gas with the solid material in the equipment according to the present invention includes the steps of:

s1, acquiring a plurality of items of physical experimental data after the action of the insulating gas to be selected and the solid material to be selected, giving corresponding weights to the physical experimental data, and establishing a set A.

S2, obtaining SF₆And giving corresponding weights to various physical experimental data after the gas and the solid material to be selected act on the physical experimental data, and establishing a set A'.

S3, forming a set A by absolute difference of weights corresponding to the same type of physical experiment data in the set A and the set A ', and obtaining the physical experiment weight by combining the weight relation among the elements in the set A'.

The physical experiment data in the steps S1-S3 are obtained through a solid test experiment and a gas test experiment, a set A corresponding to the to-be-selected insulating gas and the to-be-selected solid material is used as a to-be-tested group, and SF₆The collection A ' corresponding to the gas and the solid material to be selected is a standard group, physical tests of the same item category are carried out, and the collection A ' obtained after the absolute difference value of the collection A and the collection A ' is used for quantitatively expressing the insulating gas to be selected relative to SF on the physical performance level₆The compatibility of the gas is good or bad.

The solid test experiment comprises a solid material surface appearance test, a solid material surface element test and a solid material mechanical property test, and the gas test experiment comprises a gas decomposition product type and concentration test. The following describes the physical property tests.

Specifically, the solid material surface morphology test is to test the surface roughness, the particle size and the color change degree of the solid material to be selected, and establish a first experiment weight according to the test data. In this embodiment, a scanning electron microscope is used to observe the morphology of the solid surface, and the surface of the solid material after the test is based on the insulating gas and the solid material, so that if the color of the solid surface changes, a large number of crystal particles appear, or the surface of the solid material becomes rough, cracks and fissures appear, and the like, the more the surface of the solid material changes, the higher the first experiment weight is, and otherwise, the lower the first experiment weight is.

Specifically, the solid material surface element test is to test the variation degree of the type or content of the surface element of the solid material to be selected, and establish a second experiment weight according to the test data. In this embodiment, an X-ray photoelectron spectroscopy is used to detect solid surface elements, and based on the tested surface of the insulating gas and the solid material, if the solid surface elements are replaced by the insulating gas or the concentration of the elements is increased, the second experiment weight is lower, otherwise, the second experiment weight is higher.

Specifically, the mechanical property test of the solid material is to test the change degree of the tensile strength of the solid material to be selected, and a third experiment weight is established according to the test data. In this embodiment, the tested solid material is a rubber material, and a tensile stress machine is required to be used to detect the mechanical property, and based on the tested surface of the insulating gas and the solid material, if the performance such as the tensile strength, the elongation at break, the strain stress capability and the like of the rubber material after the test with the insulating gas is more reduced, the third test weight is lower, otherwise, the third test weight is higher.

Specifically, the gas test experiment is to test the variation degree of the types and concentrations of the gas decomposition products, and establish a fourth experiment weight according to test data. In the embodiment, qualitative and quantitative detection is performed on the mixed gas after the test through a Fourier transform infrared spectroscopy and gas chromatography-mass spectrometer, and then the change conditions of the components and the concentration of the mixed gas before and after the test are compared, if the change degree of the types and the concentrations of the decomposition products is larger, the fourth test weight is lower, otherwise, the fourth test weight is higher.

It can be seen from the above description that the number of elements included in the set a, the set a' and the set a ″ is 4, and each set includes four elements, namely, a first experiment weight, a second experiment weight, a third experiment weight and a fourth experiment weight, and each experiment weight corresponds to a type of physical experiment characterization manner. After the set A' is obtained, the steps of obtaining the weight of the physical experiment are as follows: and establishing a second weight relation among the first experiment weight, the second experiment weight, the third experiment weight and the fourth experiment weight, and obtaining a physical experiment weight according to the first experiment weight, the second experiment weight, the third experiment weight, the fourth experiment weight and the second weight relation. The second weight relationship is a functional relationship which takes the first experiment weight, the second experiment weight, the third experiment weight and the fourth experiment weight as independent variables and takes the physical experiment weight as a dependent variable, and satisfies the relationship X-n₁x₁+n₂x₂+n₃x₃+n₄x₄Wherein x is₁、x₂、x₃And x₄Are all a first experiment weight, a second experiment weight, a third experiment weight and a fourth experiment weight, n₁、n₂、n₃And n₄Are respectively two-stage weight constants, and n₁+n₂+n₃+n₄X is a physical experiment weight, n is preferably selected₁、n₂、n₃And n₄In a ratio of 1: (0.9-1.1): (0.9-1.1): (0.9 to 1.1); multiple times of experiment fitting shows that the weights of the four different physical experiments can be evaluated on a physical test layer through the compatibility of the insulating gas to be selected and the solid material to be selected through the relational expression. In this embodiment, x₁、x₂、x₃And x₄Are all set to 0.25, and in other embodiments, the second stage can be adjusted according to actual conditionsThe weight constants are adapted.

Based on the second weight relation, four different physical experiment characterization modes can be well combined, the compatibility of the insulating gas to be selected and the solid material to be selected is comprehensively evaluated on the physical test level, and the evaluation accuracy is remarkably improved compared with a single physical evaluation means.

S4, acquiring a plurality of simulation calculation data after the action of the insulating gas to be selected and the solid material to be selected, giving corresponding weight values to each simulation calculation data, and establishing a set B.

S5, obtaining SF₆And (3) giving corresponding weights to various simulation calculation data and establishing a set B' after the gas and the solid material to be selected act on the simulation calculation data.

S6, forming a set B by the absolute difference of the weights corresponding to the simulation calculation data of the same type in the set B and the set B ', and obtaining the simulation calculation weight by the weight relation among the elements in the set B'.

Simulation calculation data in the steps S4-S6 are obtained through simulation calculation of a density functional theory and a molecular dynamics theory respectively; taking a set B corresponding to the insulating gas to be selected and the solid material to be selected as a group to be tested, SF₆The set B 'corresponding to the gas and the solid material to be selected is a standard set, simulation calculation of the same item category is carried out, and quantitative representation is carried out on the analysis of the insulating gas to be selected relative to SF on the theoretical level through the set B obtained after the absolute difference value of the set B and the set B' is obtained₆The compatibility of the gas is good or bad.

In the embodiment, the simulation calculation based on the density functional theory comprises adsorption energy, charge transfer and state density; specifically building insulating gas, buffer gas and solid material structures, optimizing the model structure in a DMol3 module, and performing discrete Fourier transform electronic pseudopotential calculation by utilizing a Generalized Gradient Approximation (GGA) method and a Double Numerical parameter set (DNP) function; wherein the energy convergence accuracy, the charge density convergence accuracy and the atomic maximum displacement value parameter are respectively set to 2×10^-5Ha、1×10^-6Ha and 0.005Ha, and then the calculation and analysis of adsorption energy, charge transfer and state density are carried out on the insulating gas and the solid material.

Simulating adsorption energy generated between the insulating gas and the solid material to be selected based on a density functional theory, and establishing a first simulation weight according to simulation data; the adsorption energy refers to the energy generated by the interaction between the insulating gas and the solid material, and is defined as E_ads＝E_gas-solid-E_solid-E_gasIn which E_gas-solidRepresents the total energy after molecular adsorption, E_solidAnd E_gasExpressed as the total energy, E, of the solid surface and the insulating gas surface, respectively_adsIs the adsorption energy; in this embodiment, the adsorption energy between the insulating gas and the solid material is physical adsorption at 0.1-0.6 eV, while the adsorption energy is chemical adsorption at more than 0.8eV, and the larger the adsorption energy value is, the lower the first simulation weight value is, and the higher the first simulation weight value is.

Simulating a charge transfer difference value between the insulating gas and the solid material to be selected based on a density functional theory, and establishing a second simulation weight according to simulation data; the charge transfer refers to the process of adsorption of insulating gas and solid material, in which not only the energy of the system changes, but also the transfer of electronic charge occurs during the reaction process, causing the redistribution of electrons, and is defined as Q_t＝Q_gas-Q_gas-solidWherein Q is_tPositive value means that the insulating gas takes electrons from the surface of the solid material, which acts as a donor of the electron charge, Q_gasAnd Q_gas-solidRepresents the total charge of the insulating gas before and after the interaction; in this embodiment, SF is used₆Comparing the charge transfer number of the insulating gas and the charge transfer number of the different solid material with the charge transfer number of the solid material as a reference, if the charge transfer number is equal to the SF₆Near, or less than, SF₆The higher the second simulation weight, the lower the second simulation weight.

Based on the density functional theory, the change value of the electronic state density is modeled before and after the action of the insulating gas and the solid material to be selectedSimulating and establishing a third simulation weight according to the simulation data; the density of states refers to the number of electronic states in a unit energy interval when the electron levels are quasi-continuously distributed, and is defined as Δ ρ ═ ρ_surf/gas-ρ_surf-ρ_gasIn the formula, Δ ρ_surf/gasExpressed as the density of electronic states of the total system, ρ_surfAnd ρ_gasExpressed as the density of electronic states of the solid material and the insulating gas, respectively, before interaction; in this embodiment, the state density can be regarded as a visualization result of the energy band structure, and the electron distribution of each energy level is visually analyzed, and if the overlap of the electron orbitals between the insulating gas and the solid material is more, the third simulation weight is lower, and conversely, the third simulation weight is higher.

In the embodiment, the simulation calculation based on the molecular dynamics theory comprises the solubility, the diffusion coefficient and the interaction energy; an Amophorus Cell (AC) module was used to construct a random periodic mixing model of mixed insulating gas and solid material molecules. Geometric Optimization (Geometrx Optimization) is carried out on the established gas-solid model in a Forcite module, a COMPASS force field and a Smart Optimization method are selected to find a stable structure, and the Atom-based and EWald methods are used for calculating van der Waals force and electrostatic force. Because the constructed molecular structure is straight and the flexibility is weak, the rubber molecular chain needs to be annealed, so that the structure of the whole system is more reasonable. And then the optimized structure is subjected to high-temperature relaxation to eliminate local unstable points, so that the energy of the mixed system is further reduced, and when the energy is constant or the fluctuation is small, the temperature change deviation is less than 5%, and the system is stable. And finally, controlling the temperature and the pressure by using an Andersen and Berensen method, performing molecular dynamics balance calculation at different temperatures under a constant temperature and constant pressure (NPT) ensemble, converting microscopic level information generated by simulation into macroscopic properties of a system, wherein the total simulation time is 500ps, and the time consumption is 1fs when each cycle is completed.

On the basis of a molecular dynamics theory, after the insulating gas and the solid material to be selected act, simulating the solubility parameter of the insulating gas and the solubility parameter of the solid material, and establishing a fourth simulation weight according to simulation data; the solubility parameter is used for characterizing the mutual dissolution process between moleculesThe important parameter of the degree is defined asWherein Δ H is the heat of vaporization of the material, R is the gas constant, T is the temperature and V_mIs a unit molecular weight; in the present embodiment, the absolute difference in solubility parameter between the insulating gas and the solid material is less than 1 (cal/cm)³)^1/2The lower the fourth simulation weight, the greater the difference in absolute values of the solubility parameters than 5 (cal/cm)³)^1/2The higher the fourth simulation weight.

Simulating the permeation and diffusion degree of the insulating gas in the solid material based on a molecular dynamics theory, and establishing a fifth simulation weight according to simulation data; the diffusion coefficient is an important characteristic parameter describing the medium transfer process and can be used for evaluating the penetration and diffusion degree of the insulating gas in the solid material, and is defined as:in the formula D_∞Is the diffusion coefficient, N_∞The number of diffusing molecules in the system, r_i(t) is the coordinate of the molecule i at time t, r_i(0) Is the coordinate of the initial time molecule i, [ r ]_i(t)-r_i(0)]²Representing the mean square displacement; in this embodiment, SF is used₆Based on the diffusion coefficient of the solid material, if the insulating gas has the diffusion coefficient and SF in which solid material to be selected₆The closer to or less than SF₆The higher the fifth simulation weight, otherwise, the lower the fifth simulation weight.

Simulating an energy change value of a system consisting of the insulating gas and the solid material to be selected based on a molecular dynamics theory, and establishing a sixth simulation weight according to simulation data; the interaction energy is a general term for the interaction between van der Waals' force and electrostatic force and can be expressed as the difference between the total system energy and the equilibrium energy of each component, defined as E_inter＝-E_blend＝E_total-(E_gas+E_solid) In the formula E_solidAnd E_gasEnergy and energy expressed as solid material respectivelyEnergy of the edge gas, E_totalRepresents the total energy, E, of the solid material and the environmentally friendly insulating gas system_interRepresenting the interaction energy between the solid material and the insulating gas, E_blendThe binding energy characterizes the magnitude of the interaction energy; in this embodiment, if the interaction energy between the insulating gas and the solid material is larger than SF₆The stronger the interaction between them and the more drastic the reaction, the lower the sixth simulation weight, and vice versa.

It can be seen from the above description that the number of elements included in the set B, the set B' and the set B ″ is 6, and each set includes six elements, namely, a first simulation weight, a second simulation weight, a third simulation weight, a fourth simulation weight, a fifth simulation weight and a sixth simulation weight, and each simulation weight corresponds to a class theoretical simulation test mode. After the set B' is obtained, the steps of obtaining the simulation calculation weight are as follows: and establishing a third weight relationship among the first simulation weight, the second simulation weight, the third simulation weight, the fourth simulation weight, the fifth simulation weight and the sixth simulation weight, and obtaining a simulation calculation weight according to the first simulation weight, the second simulation weight, the third simulation weight, the fourth simulation weight, the fifth simulation weight, the sixth simulation weight and the third weight relationship. Wherein the third weight relationship is a functional relationship which takes the first simulation weight, the second simulation weight, the third simulation weight, the fourth simulation weight, the fifth simulation weight and the sixth simulation weight as independent variables and takes the simulation calculation weight as a dependent variable, and satisfies the relationship Y-m₁y₁+m₂y₂+m₃y₃+m₄y₄+m₅y₅+m₆y₆Wherein y is₁、y₂、y₃、y₄、y₅And y₆Respectively a first simulation weight, a second simulation weight, a third simulation weight, a fourth simulation weight, a fifth simulation weight and a sixth simulation weight, m₁、m₂、m₃、m₄、m₅And m₆Are all three-level weight constants, and m₁+m₂+m₃+m₄+m₅+m₆Y is a weight calculated for simulation, preferably (m)₁+m₂+m₃)/(m₄+m₅+m₆) The ratio of (1) to (0.9-1.1), m₁、m₂、m₃The ratio of (1.8-2.2) to (0.9-1.1): (0.9 to 1.1), m₄、m₅、m₆The ratio of (1.8-2.2) to (0.9-1.1): (0.9 to 1.1); multiple experimental fitting finds that the weights of the six different simulation experiments can be used for theoretically evaluating the compatibility of the insulating gas to be selected and the solid material to be selected through the relational expression. In this embodiment, m₁、m₂、m₃Set to 0.25, 0.125 and 0.125, m, respectively₄、m₅、m₆Set to 0.25, 0.125 and 0.125, respectively, in other embodiments the third order weight constants may be adaptively adjusted according to actual conditions.

Based on the third weight relationship, six different theoretical simulation test modes can be well combined, the compatibility of the insulating gas to be selected and the solid material to be selected is comprehensively evaluated on a theoretical level, and the evaluation accuracy is obviously improved compared with a single theoretical evaluation means.

S7, establishing a first weight relation between the physical experiment weight and the simulation calculation weight, and evaluating the compatibility between the insulating gas to be selected and the solid material to be selected according to the physical experiment weight, the simulation calculation weight and the first weight relation. The first weight relationship is a functional relationship taking the physical experiment weight and the simulation calculation weight as independent variables, and satisfies the relationship Z ═ aX + bY, where X is the physical experiment weight, Y is the simulation calculation weight, a and b are primary weight constants, and a + b is 1, in this embodiment, a is preferably 0.5 and b is preferably 0.5; multiple times of experimental fitting finds that the evaluation of the physical layer and the evaluation of the theoretical layer can be combined through the relationship, and the compatibility between the insulating gas to be selected and the solid material to be selected is evaluated by using Z.

Based on the first weight relationship, the four different physical test representation modes and six different theoretical simulation test modes can be well combined to realizeThe compatibility of the insulating gas to be selected and the solid material to be selected is comprehensively evaluated, more parameter factors are systematically investigated, and the common SF can be used in a common SF mode without the physical evaluation mode or the theoretical evaluation mode of a unit₆The gas is used as a reference, and the compatibility of the insulating gas to be selected and the solid material to be selected is comprehensively and systematically evaluated, so that the evaluation accuracy is obviously improved.

In addition, referring to fig. 2, the method for evaluating compatibility of the novel environmentally friendly insulating gas with the solid material in the equipment performs a test by using a compatibility testing device, in this embodiment, the compatibility testing device includes a first gas supply bottle, a second gas supply bottle, a vacuum pump, a gas chamber box, a sample holder and a barometer; after being communicated and gathered through a pipeline, the first air supply bottle and the second air supply bottle are respectively communicated with the vacuum pump and the air chamber box, and the sample rack is arranged in the inner cavity of the air chamber box; the first gas supply bottle and the second gas supply bottle respectively contain buffer gas and insulating gas for testing, and the sample rack is used for bearing solid materials to be selected; the barometer is communicated with the inner cavity of the air chamber box and used for testing the air pressure in the air chamber box.

Specifically, the following steps performed by the compatibility testing apparatus in this embodiment are mainly described by taking the foregoing acquisition of physical experiment data as an example: as shown in fig. 2, the experimental platform is constructed, firstly, the compatibility experimental platform between the insulating gas and the solid material is constructed, before the experiment, the air tightness of the experimental device needs to be detected, the experimental device is vacuumized by using a vacuum pump, filled with background gas and kept stand for 24 hours, and if the air pressure representation number in the experimental device does not change, the air tightness of the experimental device is good, and the experiment can be carried out; after the airtightness is detected, carefully wiping the solid material sample and the testing device by using absolute ethyl alcohol, drying at room temperature for 24 hours, then putting the solid material to be tested into the testing device, and sealing the device; carrying out gas washing treatment on the test device for 2-3 times, and removing impurity gas in the test device; according to the dalton partial pressure law, the amount of insulating gas and the amount of buffer gas filled into the first gas supply bottle and the second gas supply bottle are selected, after the gas filling is finished, the experimental device is placed into the heating box to perform thermal acceleration tests at different temperatures, and instruments adaptive to the experimental device are adopted according to the requirements of different test parameters, and are not described herein any more.

The method is characterized in that test data of a physical experiment and theoretical simulation are combined to establish and obtain corresponding physical experiment weight, simulation calculation weight and a functional relation between the physical experiment weight and the simulation calculation weight, and the compatibility of the insulating gas and the heterogeneous solid material is evaluated according to the physical experiment weight, the simulation calculation weight and the functional relation between the physical experiment weight and the simulation calculation weight.

The above-mentioned embodiments only express the embodiments of the present invention, and the description thereof is more specific and detailed, but not construed as limiting the scope of the invention. It should be noted that, for a person skilled in the art, several variations and modifications can be made without departing from the inventive concept, which falls within the scope of the present invention. Therefore, the protection scope of the present patent shall be subject to the appended claims.