CN112800612A - Dynamic evolution analysis method of nickel-based alloy corrosion layer based on cellular automaton - Google Patents
Dynamic evolution analysis method of nickel-based alloy corrosion layer based on cellular automaton Download PDFInfo
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- 230000007797 corrosion Effects 0.000 title claims abstract description 187
- 238000005260 corrosion Methods 0.000 title claims abstract description 187
- 230000001413 cellular effect Effects 0.000 title claims abstract description 86
- PXHVJJICTQNCMI-UHFFFAOYSA-N Nickel Chemical compound [Ni] PXHVJJICTQNCMI-UHFFFAOYSA-N 0.000 title claims abstract description 64
- 229910045601 alloy Inorganic materials 0.000 title claims abstract description 44
- 239000000956 alloy Substances 0.000 title claims abstract description 44
- 229910052759 nickel Inorganic materials 0.000 title claims abstract description 34
- 238000004458 analytical method Methods 0.000 title claims abstract description 8
- 229910052751 metal Inorganic materials 0.000 claims abstract description 62
- 239000002184 metal Substances 0.000 claims abstract description 62
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- 238000000034 method Methods 0.000 claims description 74
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- 150000003839 salts Chemical class 0.000 claims description 28
- VEXZGXHMUGYJMC-UHFFFAOYSA-M Chloride anion Chemical compound [Cl-] VEXZGXHMUGYJMC-UHFFFAOYSA-M 0.000 claims description 20
- 229910052804 chromium Inorganic materials 0.000 claims description 18
- 238000005530 etching Methods 0.000 claims description 16
- 229910021557 Chromium(IV) chloride Inorganic materials 0.000 claims description 13
- 229910020105 MgCr2O4 Inorganic materials 0.000 claims description 7
- 238000002474 experimental method Methods 0.000 claims description 5
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- 239000003518 caustics Substances 0.000 claims description 3
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- 229910001119 inconels 625 Inorganic materials 0.000 claims description 3
- TWRXJAOTZQYOKJ-UHFFFAOYSA-L magnesium chloride Substances [Mg+2].[Cl-].[Cl-] TWRXJAOTZQYOKJ-UHFFFAOYSA-L 0.000 claims description 3
- 229910001629 magnesium chloride Inorganic materials 0.000 claims description 3
- 239000000203 mixture Substances 0.000 claims description 3
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- VYZAMTAEIAYCRO-UHFFFAOYSA-N Chromium Chemical compound [Cr] VYZAMTAEIAYCRO-UHFFFAOYSA-N 0.000 description 4
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- CPLXHLVBOLITMK-UHFFFAOYSA-N magnesium oxide Inorganic materials [Mg]=O CPLXHLVBOLITMK-UHFFFAOYSA-N 0.000 description 1
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Abstract
The invention discloses a dynamic evolution analysis method of a nickel-based alloy corrosion layer based on a cellular automaton, which is characterized in that each step of chemical reaction is converted into a corresponding program language for expression, so that a model is more consistent with the actual situation; meanwhile, the change curves of the thicknesses of the total corrosion layer, the outer corrosion layer and the inner corrosion layer can be obtained, and the change condition of the thickness of the corrosion layer of the alloy under long-term corrosion can be predicted. The quality loss trend of the alloy can be predicted through the variation trend of the total corrosion layer thickness, and the quality loss trend are combined, so that the purpose of predicting the service life of the metal structure pipeline and the container can be achieved.
Description
Technical Field
The invention belongs to the technical field of cellular automata evolution research, and particularly relates to a dynamic evolution analysis method of a nickel-based alloy corrosion layer based on a cellular automata.
Technical Field
In concentrated solar power plants, the heat transfer and storage systems are a major part of the plant, directly affecting the efficiency and cost of the system. The chloride molten salt has the advantages of large heat capacity, low viscosity, high use temperature, wide temperature range, good thermal stability, low cost and the like, and becomes a more excellent heat transfer and storage material. However, at high temperatures, chloride molten salts are highly corrosive to metallic structural materials such as pipes or vessels. The study on the corrosivity of the chloride molten salt is difficult, the experimental period is long, and the study on the corrosion process is difficult, so some scholars choose to use an advanced calculation method to simulate and study the corrosion process. Compared with other simulation methods, the cellular automata method has the advantages of simple calculation method, high running speed and high simulation accuracy, and is a common simulation method. At present, the automatic simulation modes of the cells for the metal corrosion process mainly comprise the following modes:
1. a cellular automata method for simulating surface morphology: the interface corrosion surface morphology of the rough metal and the electrolyte is simulated by utilizing a cellular automata method. The model considers different corrosion modes of different areas of metal in the actual corrosion process, and discusses the top area and the bottom area respectively. The model obtains different corrosion appearances by adjusting the reaction rate and the localization degree of each region, does not consider the specific reaction generated in the actual corrosion process, and the critical corrosion processes are not consistent although the corrosion appearances are similar.
2. A cellular automata method for simulating the interaction of the etch pits: the interaction of the stainless steel metastable corrosion pits under the mechanical and chemical actions is predicted by utilizing a cellular automaton and a finite element method. The model not only simulates the interaction between the corrosion pits from the aspect of morphology, but also researches the current characteristic and the pit stability product in the interaction process of the corrosion pits. However, the model is not suitable for the corrosion behavior of the nickel-based alloy in the chloride molten salt, cannot reflect the key corrosion layer morphology change and element loss condition of the nickel-based alloy in the corrosion process, and is low in practicability.
3. A cellular automata method for simulating intragranular and grain boundary corrosion: the influence of the geometrical structure on intergranular corrosion and intergranular and intragranular corrosion is researched by using a cellular automaton method. The model popularizes the traditional two-dimensional model to a three-dimensional model, and well shows the geometric structures of various grains with anisotropy or isotropy and different layouts, and the geometric change and stripping process of the grains in the corrosion process. However, the model has low practicability, the defined evolution rule is too simple, and the model is not consistent with a series of complex processes occurring in actual corrosion behaviors.
4. A cellular automation method for simulating the appearance of the corrosion pit: the number and the depth of the etch pits are calculated by utilizing a cellular automata method, and the process of the growth and the growth of the etch pits is simulated. The simulation result better reflects the randomness of the corrosion process, and the initial process and the growth process of the model are well matched with the mathematical model. However, the model can only predict the growth rule of the corrosion pits in a short term, and cannot predict the long-term corrosion behavior.
Disclosure of Invention
In view of the defects of the prior art, the invention aims to provide the nickel-based alloy corrosion layer dynamic evolution analysis method based on the cellular automata, the simulation result of the method has high goodness of fit with the actual process, and not only can a clear corrosion process be obtained, but also the corresponding element content change condition can be known. Meanwhile, the thickness change and the quality loss trend of the corrosion layer can be predicted, and the practicability is high.
In order to achieve the purpose, the technical scheme adopted by the invention is as follows:
a nickel-based alloy corrosion layer dynamic evolution analysis method based on cellular automata, which comprises the steps of analyzing each cell and an actual alloy sample in a corrosion experiment, wherein the method comprises the following steps:
step 1: selecting a corresponding coordinate system based on the actual shape of the alloy sample, defining a two-dimensional cellular space, selecting a Margolus type neighbor, and determining a periodic boundary condition;
step 2: defining attributes of different lattice sites in cellular space according to the chloride molten salt and the composition of the alloy;
and step 3: defining an evolution rule in a cellular automaton space, realizing the interconversion among each cellular in the cellular automaton space, and converting the evolution rule into a program language through MATLAB software;
and 4, step 4: setting a proper simulation time step, and simulating the corrosion process of the nickel-based alloy in the chloride molten salt by using a two-dimensional cellular automata method to obtain a simulation result of a dynamic evolution process of the appearance of the cross-section corrosion layer along with the change of the simulation time step;
and 5: and analyzing the simulated corrosion morphology to obtain a change curve of the thickness of the corrosion layer along with the increase of the simulated time step length and a relation between the change trend of the thickness of the corrosion layer and the mass loss in the actual corrosion process.
It should be noted that, in the step 3, the evolution rule can be obtained through a diffusion rule of corrosive substances in the high-temperature chloride molten salt, a growth mechanism of the cross-section corrosion layer thickness, and a chemical reaction occurring in the corrosion process.
The cells include corrosion cells, metal cells, corrosion layer cells and escape cells; wherein the corrosion cells comprise O2And Cl2The metal cells comprise Cr and Ni, and the corrosion layer cells comprise MgCr2O4MgO and NiO, and escape cells are CrCl4。
In addition, the step 3 includes:
step 3.1, defining the left half part of the cellular space as a chloride molten salt part, wherein corrosive cells exist in the chloride molten salt part at a certain concentration; the right half part is defined as an alloy part and consists of metal cells Cr and Ni with fixed proportion, and the state of the cell space is used for simulating the actual corrosion environment;
step 3.2, under each simulation time step, the central corrosion unit cell at the lattice position (x, y) moves to the neighbor unit cell randomly with a certain probability, and the neighbor unit cell is used as the target unit cell of the next time step;
step 3.3, if the target cell of the central corrosion cell is empty in the step 3.2, the lattice site is occupied by the corrosion cell in the next time step; if the target cell is occupied by other corrosion cells, the central corrosion cell still stays at the lattice position (x, y) in the next time step;
step 3.4 if the target cell of the central corrosion cell is a metal cell in step 3.2, the corrosion cell O is etched at the next time step2With metal cells Cr or Ni, corrosion cells Cl2Reacting with metal cellular Cr with a certain probability;
step 3.5 if in step 3.4, the cells O are corroded2The reaction with the metal cellular Cr occurs, and MgO of the corrosion layer cellular and CrCl of the escape cellular are obtained in the next time step4. The lattice site of the metal unit cell Cr is replaced by a MgO lattice site; if the reaction does not occur, the metal cells Cr still occupy the original lattice position and corrode the cells O2Repeating the process of step 3.2;
step 3.6 if the corrosion of the cell O in step 3.4 occurs2When the reaction with the metal unit cell Ni occurs, the lattice position of the metal unit cell Ni is replaced by the NiO lattice position in the next time step; if the reaction does not occur, the metal unit cell Ni still occupies the original lattice position and corrodes the unit cell Cl2Repeating the process of step 3.2;
step 3.7 if the cellular Cl is corroded in step 3.42The reaction with the metal cellular Cr occurs, and then the escape cellular CrCl is obtained in the next time step4The lattice site of the metal unit cell Cr becomes a vacant lattice site.
Step 3.8 escape cellular CrCl obtained in step 3.5 and step 3.74Part of the component (A) diffuses into the molten salt with a certain probability, and part of the component (B) reacts with the corrosion layer cells MgO and the corrosion cells O2The reaction occurs with a certain probability. If the reaction occurs, obtaining the corrosion layer cellular MgCr at the next time step2O4And etching of cellular Cl2Escape cellular CrCl4MgO as etching layer cell, O as etching cell2Lattice-etched layer unit cell MgCr of MgO of disappearance and etching layer unit cell2O4And replacing the lattice position.
Step 3.9 etching of the cells Cl in step 3.82The process of step 3.2 is repeated.
It should be noted that the length and width of the two-dimensional cell space are both 400 grid widths.
The simulation result is verified, and NaCl-CaCl is measured at 600 DEG C2-MgCl2And comparing the corrosion result of the alloy corroded in the molten salt for 21 days with the simulation result, and verifying the simulation result.
The invention has the beneficial effects that:
firstly, the simulation result of the invention has high goodness of fit with the actual process, not only can obtain clear corrosion process, but also can obtain the corresponding element content change condition. Meanwhile, the thickness change and the quality loss trend of the corrosion layer can be predicted, and the practicability is high.
Secondly, the evolution rule in the invention is defined according to the actual corrosion process, and the actual corrosion mechanism and the generated chemical reaction are verified by experiments. Each step of chemical reaction is converted into a corresponding program language for expression, so that the model is more consistent with the actual situation. The appearance and the thickness of the simulated outer corrosion layer are consistent with those of the outer corrosion layer accumulated by corrosion products under the actual corrosion condition, and the appearance and the thickness of the simulated inner corrosion layer are also consistent with those of the inner corrosion layer caused by Cr deficiency under the actual corrosion condition.
Finally, the invention can obtain the shape change process of the cross-section corrosion layer under different time step lengths by adjusting the simulation time step length, and can obtain the corresponding element content change condition, thereby having great significance for researching the change of the alloy shape and the element content in the corrosion process. Meanwhile, the change curves of the thicknesses of the total corrosion layer, the outer corrosion layer and the inner corrosion layer can be obtained, and the change condition of the thickness of the corrosion layer of the alloy under long-term corrosion can be predicted. Meanwhile, the quality loss trend of the alloy can be predicted through the variation trend of the total corrosion layer thickness. The service life of the metal structure pipeline and the service life of the container can be predicted by combining the two.
Drawings
FIG. 1 is a schematic diagram of cell space and different attributes of cells in a model;
FIG. 2 is an initial profile of a model;
FIG. 3 shows the growth process of the corrosion layer (left) and the number of chromium-containing cells accumulated (right);
FIG. 4 is a SEM photograph comparing simulation results of a cross-section corrosion layer with experimental results;
FIG. 5 is a comparison of the results of line scanning of chromium content in experimental results (left) and the accumulated number of chromium-containing cells in simulation results (right);
FIG. 6 is a simulation of the total thickness of the corrosion layer (left) and the thickness of the inner and outer corrosion layers (right);
FIG. 7 is a comparison of a simulated erosion layer thickness growth curve and an actual erosion process mass loss curve.
DETAILED DESCRIPTION OF EMBODIMENT (S) OF INVENTION
The present invention will be further described with reference to the accompanying drawings, and it should be noted that the present embodiment is based on the technical solution, and the detailed implementation and the specific operation process are provided, but the protection scope of the present invention is not limited to the present embodiment.
It is noted that the alloy specimen in the present invention may be an Inconel 625 alloy specimen.
It should be noted that the present invention includes 4 kinds of cells, which are respectively an erosion cell, a metal cell, an erosion layer cell and an escape cell, wherein:
1. the corrosion cells are respectively O2And Cl2They are randomly distributed in high-temperature chloride molten salt with a certain concentration, can corrode metal cells, and corrode the cells O in the space of the whole cellular automaton2And Cl2Randomly moving with a certain probability with the change of the simulation time step;
2. the metal cells are Cr and Ni, respectively, which are present in a fixed proportion in the cell space, representing the proportion of elements in the nickel-based Inconel 625 alloy. And the positions of the metal cells Cr and Ni are considered to be fixed and not changed;
3. the cells of the corrosion layer are respectively MgCr2O4MgO and NiO, which are formed by etching of the unit cell O2、Cl2And a metal elementThe position of the product of the reaction of the Cr and the Ni of the cells is kept unchanged after the reaction, and an outer corrosion layer in the corrosion layer is formed in the two-dimensional cellular space;
4. the escape cells are CrCl4Is caused by corrosion of the cell O2And Cl2The product after interaction with the metallic elementary Cr, but with the corrosion layer elementary MgCr2O4Different from MgO and NiO, CrCl4Once formed, a portion of CrCl4Will corrode the cell O2The reaction continues, and a part of CrCl4CrCl will escape from the metal part4The cell of (1) will become a null cell, i.e. there is no physical meaning.
Examples
The invention relates to a dynamic evolution analysis method of a nickel-based alloy corrosion layer based on a cellular automaton, which is used for analyzing each cell and an actual alloy sample in a corrosion experiment, and comprises the following steps:
step 1: selecting a corresponding coordinate system based on the actual shape of the alloy sample, defining a two-dimensional cellular space, selecting a Margolus type neighbor, and determining a periodic boundary condition;
step 2: defining attributes of different lattice sites in cellular space according to the chloride molten salt and the composition of the alloy;
and step 3: defining an evolution rule in a cellular automaton space, realizing the interconversion among each cellular in the cellular automaton space, and converting the evolution rule into a program language through MATLAB software;
and 4, step 4: setting a proper simulation time step, and simulating the corrosion process of the nickel-based alloy in the chloride molten salt by using a two-dimensional cellular automata method to obtain a simulation result of a dynamic evolution process of the appearance of the cross-section corrosion layer along with the change of the simulation time step;
and 5: and analyzing the simulated corrosion morphology to obtain a change curve of the thickness of the corrosion layer along with the increase of the simulated time step length and a relation between the change trend of the thickness of the corrosion layer and the mass loss in the actual corrosion process.
It should be noted that, in the step 3, the evolution rule can be obtained through a diffusion rule of corrosive substances in the high-temperature chloride molten salt, a growth mechanism of the cross-section corrosion layer thickness, and a chemical reaction occurring in the corrosion process.
The cells include corrosion cells, metal cells, corrosion layer cells and escape cells; wherein the corrosion cells comprise O2And Cl2The metal cells comprise Cr and Ni, and the corrosion layer cells comprise MgCr2O4MgO and NiO, and escape cells are CrCl4。
In addition, the step 3 includes:
step 3.1, defining the left half part of the cellular space as a chloride molten salt part, wherein corrosive cells exist in the chloride molten salt part at a certain concentration; the right half part is defined as an alloy part and consists of metal cells Cr and Ni with fixed proportion, and the state of the cell space is used for simulating the actual corrosion environment;
step 3.2, under each simulation time step, the central corrosion unit cell at the lattice position (x, y) moves to the neighbor unit cell randomly with a certain probability, and the neighbor unit cell is used as the target unit cell of the next time step;
step 3.3, if the target cell of the central corrosion cell is empty in the step 3.2, the lattice site is occupied by the corrosion cell in the next time step; if the target cell is occupied by other corrosion cells, the central corrosion cell still stays at the lattice position (x, y) in the next time step;
step 3.4 if the target cell of the central corrosion cell is a metal cell in step 3.2, the corrosion cell O is etched at the next time step2With metal cells Cr or Ni, corrosion cells Cl2Reacting with metal cellular Cr with a certain probability;
step 3.5 if in step 3.4, the cells O are corroded2The reaction with the metal cellular Cr occurs, and MgO of the corrosion layer cellular and CrCl of the escape cellular are obtained in the next time step4. The lattice site of the metal unit cell Cr is replaced by a MgO lattice site; if the reaction does not occur, the metal cells Cr still occupy the original lattice position and corrode the cells O2Repeating the process of step 3.2;
step 3.6 if the corrosion of the cell O in step 3.4 occurs2When the reaction with the metal unit cell Ni occurs, the lattice position of the metal unit cell Ni is replaced by the NiO lattice position in the next time step; if the reaction does not occur, the metal unit cell Ni still occupies the original lattice position and corrodes the unit cell Cl2Repeating the process of step 3.2;
step 3.7 if the cellular Cl is corroded in step 3.42The reaction with the metal cellular Cr occurs, and then the escape cellular CrCl is obtained in the next time step4The lattice site of the metal unit cell Cr becomes a vacant lattice site.
Step 3.8 escape cellular CrCl obtained in step 3.5 and step 3.74Part of the component (A) diffuses into the molten salt with a certain probability, and part of the component (B) reacts with the corrosion layer cells MgO and the corrosion cells O2The reaction occurs with a certain probability. If the reaction occurs, obtaining the corrosion layer cellular MgCr at the next time step2O4And etching of cellular Cl2Escape cellular CrCl4MgO as etching layer cell, O as etching cell2Lattice-etched layer unit cell MgCr of MgO of disappearance and etching layer unit cell2O4And replacing the lattice position.
Step 3.9 etching of the cells Cl in step 3.82The process of step 3.2 is repeated.
It should be noted that the length and width of the two-dimensional cell space are both 400 grid widths.
The simulation result is verified, and NaCl-CaCl is measured at 600 DEG C2-MgCl2And comparing the corrosion result of the alloy corroded in the molten salt for 21 days with the simulation result, and verifying the simulation result.
As shown in FIG. 1, different unit cells are dispersed in three parallel unit cell spaces in the figure, wherein Cr, Ni, MgO and MgCr are2O4The NiO lattice site is considered to be fixed, and the cellular space (a) is used. O is2Can freely move in the molten salt and diffuse to the outer corrosion layer, and the cellular space (b) is used. Cl2Can diffuse into the internal corrosion layer and the metal substrate and CrCl4Cell space (c) is used in common. The three cellular spaces are superposed to form a cellular space (d). Cells of different attributesThe spatial characteristics of the positioned cells are the same as the positions and diffusion modes of various substances in the actual corrosion process, and the actual corrosion state can be reflected.
As shown in FIG. 2, the left side of the graph represents a certain concentration of O2With Cl2And is present in the molten salt when corrosion has not yet started. The right side represents the metal matrix, consisting of Cr and Ni. The initial topography corresponds to the initial stage in the actual environment where corrosion has not yet begun.
As shown in FIG. 3, as the simulation time step increases, the cells representing Cr and Ni gradually erode away as the reaction progresses, and MgCr2O4MgO and NiO cells are generated along with the oxide, and gradually accumulated together to form an outer corrosion layer in the model. Generated escape cellular CrCl4Escaping out of the metal matrix, and changing the original lattice site into an empty lattice site, thereby forming an inner corrosion layer. The forming process and the appearance of the outer corrosion layer and the inner corrosion layer in the model are consistent with those of the corrosion layer obtained in the actual corrosion process.
In the initial stage of simulation, the generated corrosion layer cells MgCr2O4Accumulated in the outer corrosion layer and thus the number of Cr-containing cells slightly increased. As the simulation is carried out, a large amount of escape cells CrCl4Gradually grow and leave the metal matrix, and thus the number of Cr-containing cells gradually decreases. The corrosion behavior is not severe deeper in the metal matrix, so the number of Cr-containing cells gradually increases. The corrosion behavior did not occur deeper in the metal matrix, and the number of Cr-containing cells was maintained at a more stable level.
As shown in FIG. 4, the comparison of the simulation result of the cross-section corrosion layer with the actual corroded morphology shows that the thicknesses of the outer corrosion layer and the inner corrosion layer are substantially the same, and the simulation result can well reflect the actual corroded result of the alloy sample.
As shown in FIG. 5, the change curve of the chromium content after the actual corrosion of the alloy sample of the invention is compared with the accumulated amount of the Cr-containing unit cells in the simulation result, the change trends of the two are basically consistent, and the simulation result can well reflect the change trend of the element content in the actual corrosion process.
As shown in fig. 6, the variation of the thickness of the corrosion layer in the simulation result along with the simulation time step is plotted as a curve, which reflects the variation of the total corrosion layer, the outer corrosion layer and the inner corrosion layer, and the variation of the thickness of the corrosion layer is hard to obtain in the actual corrosion process.
As shown in fig. 7, the simulated erosion layer thickness increase curve is compared with the mass loss curve of the alloy sample in the actual erosion process, and the coincidence degree of the two curves is better. In actual conditions, the quality loss of a metal container or a pipeline is an important basis for measuring the service life of the metal container or the pipeline, but the quality loss is difficult to probe through a traditional corrosion experiment and has long periodicity. The two-dimensional cellular automaton method can greatly shorten the research time, can achieve the purpose of predicting the service life of the metal structure pipeline and the container, and has important significance.
Various modifications may be made by those skilled in the art based on the above teachings and concepts, and all such modifications are intended to be included within the scope of the present invention as defined in the appended claims.
Claims (6)
1. A nickel-based alloy corrosion layer dynamic evolution analysis method based on cellular automata comprises the steps of analyzing each cell and an actual alloy sample in a corrosion experiment, and is characterized by comprising the following steps:
step 1: selecting a corresponding coordinate system based on the actual shape of the alloy sample, defining a two-dimensional cellular space, selecting a Margolus type neighbor, and determining a periodic boundary condition;
step 2: defining attributes of different lattice sites in cellular space according to the chloride molten salt and the composition of the alloy;
and step 3: defining an evolution rule in a cellular automaton space, realizing the interconversion among each cellular in the cellular automaton space, and converting the evolution rule into a program language through MATLAB software;
and 4, step 4: setting a proper simulation time step, and simulating the corrosion process of the nickel-based alloy in the chloride molten salt by using a two-dimensional cellular automata method to obtain a simulation result of a dynamic evolution process of the appearance of the cross-section corrosion layer along with the change of the simulation time step;
and 5: and analyzing the simulated corrosion morphology to obtain a change curve of the thickness of the corrosion layer along with the increase of the simulated time step length and a relation between the change trend of the thickness of the corrosion layer and the mass loss in the actual corrosion process.
2. The method for analyzing the dynamic evolution of the nickel-based alloy corrosion layer based on the cellular automata as claimed in claim 1, wherein in the step 3, the evolution rule can be obtained by the diffusion rule of corrosive substances in the high-temperature chloride molten salt, the growth mechanism of the cross-section corrosion layer thickness and the chemical reaction generated in the corrosion process.
3. The method for analyzing the dynamic evolution of the nickel-based alloy corrosion layer based on the cellular automata according to claim 1, wherein each cell comprises a corrosion cell, a metal cell, a corrosion layer cell and an escape cell; wherein the corrosion cells comprise O2And Cl2The metal cells comprise Cr and Ni, and the corrosion layer cells comprise MgCr2O4MgO and NiO, and escape cells are CrCl4。
4. The method for analyzing the dynamic evolution of the nickel-based alloy corrosion layer based on the cellular automata according to claim 3, wherein the step 3 comprises:
step 3.1, defining the left half part of the cellular space as a chloride molten salt part, wherein corrosive cells exist in the chloride molten salt part at a certain concentration; the right half part is defined as an alloy part and consists of metal cells Cr and Ni with fixed proportion, and the state of the cell space is used for simulating the actual corrosion environment;
step 3.2, under each simulation time step, the central corrosion unit cell at the lattice position (x, y) moves to the neighbor unit cell randomly with a certain probability, and the neighbor unit cell is used as the target unit cell of the next time step;
step 3.3, if the target cell of the central corrosion cell is empty in the step 3.2, the lattice site is occupied by the corrosion cell in the next time step; if the target cell is occupied by other corrosion cells, the central corrosion cell still stays at the lattice position (x, y) in the next time step;
step 3.4 if the target cell of the central corrosion cell is a metal cell in step 3.2, the corrosion cell O is etched at the next time step2With metal cells Cr or Ni, corrosion cells Cl2Reacting with metal cellular Cr with a certain probability;
step 3.5 if in step 3.4, the cells O are corroded2The reaction with the metal cellular Cr occurs, and MgO of the corrosion layer cellular and CrCl of the escape cellular are obtained in the next time step4. The lattice site of the metal unit cell Cr is replaced by a MgO lattice site; if the reaction does not occur, the metal cells Cr still occupy the original lattice position and corrode the cells O2Repeating the process of step 3.2;
step 3.6 if the corrosion of the cell O in step 3.4 occurs2When the reaction with the metal unit cell Ni occurs, the lattice position of the metal unit cell Ni is replaced by the NiO lattice position in the next time step; if the reaction does not occur, the metal unit cell Ni still occupies the original lattice position and corrodes the unit cell Cl2Repeating the process of step 3.2;
step 3.7 if the cellular Cl is corroded in step 3.42The reaction with the metal cellular Cr occurs, and then the escape cellular CrCl is obtained in the next time step4The lattice site of the metal unit cell Cr becomes a vacant lattice site.
Step 3.8 escape cellular CrCl obtained in step 3.5 and step 3.74Part of the component (A) diffuses into the molten salt with a certain probability, and part of the component (B) reacts with the corrosion layer cells MgO and the corrosion cells O2The reaction occurs with a certain probability. If the reaction occurs, obtaining the corrosion layer cellular MgCr at the next time step2O4And etching of cellular Cl2Escape cellular CrCl4MgO as etching layer cell, O as etching cell2Lattice-etched layer unit cell MgCr of MgO of disappearance and etching layer unit cell2O4And replacing the lattice position.
Step 3.9 etching of the cells Cl in step 3.82The process of step 3.2 is repeated.
5. The method for analyzing the dynamic evolution of the nickel-based alloy corrosion layer based on the cellular automata according to claim 1, wherein the length and the width of the two-dimensional cellular space are both 400 grid widths.
6. The method of analyzing the dynamic evolution of the cellular automata-based nickel-based alloy corrosion layer of claim 1, further comprising validating the simulation results with NaCl-CaCl at 600 ℃2-MgCl2And comparing the corrosion result of the nickel-based Inconel 625 alloy corroded in the molten salt for 21 days with the simulation result, and verifying the simulation result.
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