Decomposition reaction simulation method, system and medium during preparation of ternary cathode materials
A positive electrode material and decomposition reaction technology, applied in the direction of positive electrodes, electrical components, battery electrodes, etc., can solve the problems of lack of effective detection means, acquisition of material reaction status, and difficulty in obtaining information on thermal decomposition reaction status of materials in kilns, etc., to achieve Effects of preventing insufficient reaction and energy waste
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Embodiment 1
[0090] Since it is difficult to directly observe the decomposition reaction process of the raw materials during the preparation of the ternary cathode material to obtain the relevant material reaction state data, the sintering operation parameter adjustment of the sintering process lacks information guidance. However, enterprises can obtain the process data of the decomposition reaction of some raw materials in the laboratory environment through the reaction test method during production. Therefore, by analyzing the process data of the small test experiment, the decomposition reaction characteristics of the material in the preparation process of the ternary cathode material are clarified, and a multi-particle cellular automaton model based on variable rules is established to simulate the decomposition reaction evolution of the material in this process. The operation is for the sintering process. Parameter regulation provides important ideas for guiding information.
[0091] se...
Embodiment 2
[0097] see figure 2 , figure 2 It is a schematic flowchart of the decomposition reaction simulation method in the preparation process of the ternary cathode material disclosed in the second embodiment of the present invention. like figure 2 As shown, the decomposition reaction simulation method based on the preparation process of the ternary cathode material may include the following steps:
[0098] S210 , establishing a multi-particle cellular automata model framework according to the required reaction characteristics of the simulated ternary positive electrode material, and determining a multi-particle cellular automata model.
[0099] The basic structure of the multi-particle cellular automata model includes cell space, cell state, boundary type, and neighbor type;
[0100] The cell space is a two-dimensional quadrilateral grid, and the required simulation area is divided into L row line, L col Column square grid, each cell grid is a cell, cell C i by grid coordina...
Embodiment 3
[0172] Embodiment 3 is an extended embodiment of Embodiment 1 or Embodiment 2. The difference from Embodiment 1 or Embodiment 2 lies in how to establish a multi-particle cellular automata model framework to simulate the preparation process of ternary cathode materials. , How to design multi-particle cell state transition rules, establish rule sets and adjust them dynamically to simulate reactions, etc. In this embodiment, by analyzing the main characteristics of the decomposition reaction in the preparation process of the ternary cathode material, the basic framework of the multi-particle cellular automata model that conforms to the actual situation is correspondingly designed. Then, the thermodynamic analysis of the main materials of the decomposition reaction is carried out by means of thermogravimetric experiments, the thermal decomposition reaction mechanism and thermodynamic parameters of the materials are clarified, the thermodynamic model of the reaction is established, ...
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