CN-122020117-A - Battery anode material selective separation method and system based on directional extraction

CN122020117ACN 122020117 ACN122020117 ACN 122020117ACN-122020117-A

Abstract

The invention provides a selective separation method and a selective separation system for a battery anode material based on directional extraction, which relate to the technical field of battery resource recovery and comprise the steps of constructing a coordination network topology map by acquiring a multidimensional characteristic data set of the anode material and utilizing a graph neural network, generating a dynamic chemical potential difference distribution map and a metal component separability evaluation matrix, determining the solvated layer structural characteristics of target metal, constructing a multifunctional extraction system, and finally forming a selective separation process scheme.

Inventors

JIN ZHENG
PENG HAOFENG
WANG XUN
LI PENGCHENG
HUANG CHENYAN

Assignees

杭州天易成新能源科技股份有限公司

Dates

Publication Date: 20260512
Application Date: 20260122

Claims (10)

1. The selective separation method of the battery anode material based on the directional extraction is characterized by comprising the following steps of: acquiring element composition information and electrochemical behavior fingerprint data of a battery anode material to be separated, and performing time-series association to obtain a multi-dimensional characteristic data set of the battery anode material; Carrying out nonlinear association analysis on the multidimensional characteristic data set of the battery anode material based on graph neural network topology reasoning rules, constructing a coordination network topology map, and combining the coordination environment evolution track, the electron transfer barrier distribution and the metal ion synergistic effect intensity of each target metal component of the battery anode to obtain a dynamic chemical potential difference distribution map of the battery anode material and an anode metal component separability evaluation matrix; Determining the solvation layer structural characteristics of specific target metals for the battery anode according to the dynamic chemical potential difference distribution map and the anode metal component separability evaluation matrix, generating candidate extractant molecular structures by combining the selective coordination conditions of the battery anode metals, and constructing a multifunctional extraction system configuration scheme based on the synergistic separation of the battery anode multi-metals according to the functional group types and the spatial arrangement characteristics of the candidate extractant molecular structures; and generating a selective separation process scheme according to the configuration scheme of the multifunctional extraction system and the coordinate environment evolution track.
2. The method of claim 1, wherein obtaining elemental composition information and electrochemical behavior fingerprint data for the positive electrode material of the battery to be separated and time-series correlating to obtain the multi-dimensional feature dataset for the positive electrode material of the battery comprises: Carrying out multispectral excitation response detection on the battery anode material to be separated, collecting spectral line intensity distribution generated under different excitation energy, and obtaining quantitative data, valence state distribution information and lattice occupation statistical information of each metal element in the battery anode material by calculating the matching degree of the spectral line intensity distribution and a standard element spectrum library to form element composition information of the battery anode material; Applying a periodic electrochemical excitation signal to the to-be-separated battery anode material under a simulated circulation working condition, synchronously recording a potential response curve and an impedance spectrum evolution curve, performing differential treatment on the potential response curve to extract a redox peak of the battery anode material, performing equivalent circuit fitting on the impedance spectrum evolution curve to extract a charge transfer resistance of the battery anode material, and combining the redox peak and the charge transfer resistance to form electrochemical behavior fingerprint data; Establishing an associated coordinate system taking the cycle times of the battery anode material as a time axis, carrying out pairing mapping on the element composition information and the electrochemical behavior fingerprint data according to the corresponding relation of the battery anode material in the same cycle stage based on the associated coordinate system, calculating a time sequence cross correlation coefficient between the element composition information and the electrochemical behavior fingerprint data, and forming the multi-dimensional characteristic data set of the battery anode material by the pairing mapping result and the time sequence cross correlation coefficient.
3. The method of claim 2, wherein the constructing a coordination network topology map based on nonlinear association analysis of the battery anode material multidimensional feature dataset based on graph neural network topology inference rules comprises: Based on the multi-dimensional characteristic data set of the battery anode material, the valence state distribution information is used as an electronic layer characteristic vector of a node, the lattice occupation statistical information is used as a space position characteristic vector of the node, the redox peak and the charge transfer resistor are used as dynamic evolution characteristic vectors of the node, and the electronic layer characteristic vector, the space position characteristic vector and the dynamic evolution characteristic vector are spliced to form a node characteristic matrix; Calculating coordination association strength between any two metal element nodes based on the time sequence cross correlation coefficient, when the coordination association strength exceeds a preset association threshold, establishing directed edge connection between the corresponding nodes, taking the coordination association strength as a weight value of the directed edge, and calculating an atomic distance estimated value between adjacent nodes as a geometric attribute label of the directed edge according to the element composition information to form an edge relation matrix; And carrying out weighted aggregation on the node feature matrixes of adjacent nodes according to the weight values of the connecting edges, carrying out feature space mapping through a nonlinear transformation function, updating the node feature matrixes, extracting node embedded vectors from the updated node feature matrixes, extracting edge embedded vectors from the edge relation matrixes, and jointly forming the coordination network topology map by the node embedded vectors and the edge embedded vectors.
4. The method of claim 1, wherein combining the coordinate environment evolution track, the electron transfer barrier distribution and the strength of the synergistic effect between metal ions of each target metal component of the positive electrode of the battery to obtain the dynamic chemical potential difference distribution map of the positive electrode material of the battery and the positive electrode metal component separability evaluation matrix comprises: Extracting a coordination polyhedron distortion degree sequence from the coordination network topology map, calculating coordination structure parameter differential values between adjacent circulation stages according to the time sequence of the circulation times of the battery anode material to obtain a coordination environment evolution track, calculating electronic transition activation energy between metal element nodes in the battery anode material, mapping the spatial distribution of the electronic transition activation energy into the electronic transfer barrier distribution, calculating a dynamic correlation coefficient of a metal element node pair according to the coordination environment evolution track, and multiplying the dynamic correlation coefficient by weight values of corresponding edges to obtain the metal ion synergistic effect strength; converting the coordination polyhedron distortion degree sequence into local strain energy distribution, converting the electron transfer barrier distribution into electron chemical potential distribution, superposing the electron transfer barrier distribution with the local strain energy distribution, and performing time sequence expansion on the superposition result in the cycle number dimension of the battery anode material to form the dynamic chemical potential difference distribution map; And extracting a chemical potential difference average value between any two target metal components of the battery positive electrode from the dynamic chemical potential difference distribution map, taking the chemical potential difference average value as a correction separability index of interaction influence between metal ions, taking the intensity of the synergistic effect between the metal ions as a correction factor for weighted adjustment, and arranging all the correction separability indexes in the battery positive electrode material in a matrix mode according to metal element types to form a positive electrode metal component separability evaluation matrix.
5. The method of claim 1, wherein determining solvated layer structure characteristics for a particular target metal of a battery positive electrode based on the dynamic chemical potential difference distribution profile and the positive electrode metal component separability evaluation matrix, and generating candidate extractant molecular structures in conjunction with a selective coordination condition for the battery positive electrode metal comprises: Extracting corrected separability indexes between each target metal component and other target metal components in the battery positive electrode material from the positive electrode metal component separability evaluation matrix, calculating a statistical distribution characteristic value, and determining the target metal component with the largest statistical distribution characteristic value as a specific target metal of the battery positive electrode; based on the dynamic chemical potential difference distribution map, identifying a chemical potential numerical range which is not overlapped between chemical potential fluctuation intervals of the specific target metal of the battery anode and other target metal components, and taking the chemical potential numerical range as a specific chemical potential window; calculating the solvation free energy variation required for maintaining the specific target metal of the battery anode based on the exclusive chemical potential window, decomposing the solvation free energy variation into an electrostatic interaction contribution component and a dispersion interaction contribution component, converting the electrostatic interaction contribution component into a dipole moment required value, converting the dispersion interaction contribution component into a polarizability required value, and forming solvation layer structural characteristics by the dipole moment required value and the polarizability required value; And determining the electron donor group types and space positioning constraint conditions required to be contained in the extractant molecules from the selective coordination conditions of the battery anode metal, and generating the candidate extractant molecular structures meeting the electron donor group types and the space positioning constraint conditions through a molecular skeleton construction algorithm.
6. The method of claim 1, wherein constructing a multi-functional extraction system configuration scheme based on synergistic separation of multi-metals of a battery anode according to the functional group type and spatial arrangement characteristics of the candidate extractant molecular structure comprises: Identifying the type of the functional groups from the molecular structures of the candidate extractant, extracting the bonding position coordinates of the functional groups on a molecular skeleton, calculating the space distance and the bonding angle between the functional groups based on the bonding position coordinates, and forming the space arrangement characteristic by the space distance and the bonding angle; Extracting a plurality of target metal components with cooperative separation possibility from the positive electrode metal component separability evaluation matrix, analyzing an ion radius value and an electronegativity value from node embedding vectors of corresponding nodes, carrying out matching calculation on the ion radius value and the space distance to obtain a space accommodation capacity evaluation value, carrying out matching calculation on the electronegativity value and the functional group type to obtain an electron affinity evaluation value, calculating coordination competition balance coefficients between the plurality of target metal components and candidate extractant molecular structures based on the space accommodation capacity evaluation value and the electron affinity evaluation value, and determining the type and the addition proportion of the cooperative extractant to be added in an extraction system according to the coordination competition balance coefficients; and constructing the configuration scheme of the multifunctional extraction system based on the molecular structure of the candidate extractant, the type of the synergistic extractant and the addition proportion.
7. The method of claim 1, wherein generating a selective separation process scheme based on the multi-functional extraction system configuration scheme and the coordinate environment evolution trace comprises: extracting coordination structure parameter differential values of target metal components in the battery anode material in different cycle phases from the coordination environment evolution track, identifying the cycle phase of the coordination structure parameter differential values, the change rate of which exceeds a preset change rate threshold value, as a coordination structure instability critical point, and taking the cycle times corresponding to the coordination structure instability critical point as a pretreatment termination condition of the battery anode material; Extracting solvent component concentration proportion, complexing agent addition amount and solution acidity value from the multifunctional extraction system configuration scheme as optimization variables, calculating phase separation free energy variation corresponding to the solvent component concentration proportion, converting the phase separation free energy variation into an extraction operation temperature lower limit value, calculating coordination saturation time corresponding to the complexing agent addition amount, converting the coordination saturation time into an extraction time lower limit value, calculating a side reaction inhibition temperature threshold corresponding to the solution acidity value, converting the side reaction inhibition temperature threshold into an extraction operation temperature upper limit value, and solving the extraction operation temperature interval and the extraction time interval under temperature constraint and time constraint through a pareto front edge search algorithm; and constructing a selective separation process scheme based on the pretreatment termination condition, the extraction operation temperature interval and the extraction time interval.
8. A directional extraction based battery positive electrode material selective separation system for implementing the method of any one of claims 1-7, comprising: The first unit is used for acquiring element composition information and electrochemical behavior fingerprint data of the battery anode material to be separated and performing time-series association to obtain a multi-dimensional characteristic data set of the battery anode material; The second unit is used for carrying out nonlinear association analysis on the multidimensional characteristic data set of the battery anode material based on a graph neural network topology reasoning rule, constructing a coordination network topology map, and combining the coordination environment evolution track, the electron transfer barrier distribution and the metal ion synergistic effect intensity of each target metal component of the battery anode to obtain a dynamic chemical potential difference distribution map of the battery anode material and an anode metal component separability evaluation matrix; The third unit is used for determining the solvated layer structure characteristics of specific target metals of the battery anode according to the dynamic chemical potential difference distribution map and the anode metal component separability evaluation matrix, generating candidate extractant molecular structures by combining the selective coordination conditions of the battery anode metals, and constructing a multifunctional extraction system configuration scheme based on the synergistic separation and synergy of the battery anode multi-metals according to the functional group types and the spatial arrangement characteristics of the candidate extractant molecular structures; And the fourth unit is used for generating a selective separation process scheme according to the configuration scheme of the multifunctional extraction system and the coordination environment evolution track.
9. An electronic device, comprising: A processor; A memory for storing processor-executable instructions; Wherein the processor is configured to invoke the instructions stored in the memory to perform the method of any of claims 1 to 7.
10. A computer readable storage medium having stored thereon computer program instructions, which when executed by a processor, implement the method of any of claims 1 to 7.

Description

Battery anode material selective separation method and system based on directional extraction Technical Field The invention relates to the technical field of battery resource recovery, in particular to a method and a system for selectively separating battery anode materials based on directional extraction. Background With the rapid development of new energy automobiles and portable electronic devices, the demand of lithium ion batteries is increasing. When the battery reaches the service life, the noble metal resources such as cobalt, nickel, manganese, lithium and the like contained in the battery need to be recycled, so that the influence of raw material exploitation on the environment is reduced, and the production cost is reduced. The battery anode material contains a plurality of metal elements, and the metal elements in the material need to be recovered and separated in an efficient and environment-friendly mode. Currently, battery recovery mainly adopts a combination of pyrometallurgy and hydrometallurgy, wherein solvent extraction in hydrometallurgy is a key technology for achieving selective separation of metals. Traditional solvent extraction technology realizes separation of different metals by means of adjusting pH value, selective extractant, back extraction conditions and the like, but the process often needs a great deal of experimental exploration and experience accumulation. The traditional separation method lacks deep understanding of the microcosmic coordination environment of metal elements in the battery anode material, so that the selection and design of the extractant often depend on empirical trial and error, high-efficiency directional design cannot be carried out on a complex multi-element system, the separation efficiency is low, and the selectivity is insufficient. The prior art does not fully consider the synergistic effect and interaction mechanism among multiple metal elements in the battery anode material, and in the actual extraction process, the competitive adsorption and synergistic migration phenomena among metal ions can obviously influence the separation effect, and the factors are not systematically considered in the design of the traditional separation method. The existing extraction system is usually optimized only for single or few metal components, so that efficient collaborative separation of various metal elements in the battery anode is difficult to realize, and theoretical guidance for customizing an extraction scheme according to material characteristics and element composition is lacking, so that the recovery process flow is complex, the reagent consumption is high, and the environmental burden is heavy. Disclosure of Invention The embodiment of the invention provides a selective separation method and a selective separation system for a battery anode material based on directional extraction, which can solve the problems in the prior art. In a first aspect of an embodiment of the present invention, there is provided a method for selectively separating a battery positive electrode material based on directional extraction, including: acquiring element composition information and electrochemical behavior fingerprint data of a battery anode material to be separated, and performing time-series association to obtain a multi-dimensional characteristic data set of the battery anode material; Carrying out nonlinear association analysis on the multidimensional characteristic data set of the battery anode material based on graph neural network topology reasoning rules, constructing a coordination network topology map, and combining the coordination environment evolution track, the electron transfer barrier distribution and the metal ion synergistic effect intensity of each target metal component of the battery anode to obtain a dynamic chemical potential difference distribution map of the battery anode material and an anode metal component separability evaluation matrix; Determining the solvation layer structural characteristics of specific target metals for the battery anode according to the dynamic chemical potential difference distribution map and the anode metal component separability evaluation matrix, generating candidate extractant molecular structures by combining the selective coordination conditions of the battery anode metals, and constructing a multifunctional extraction system configuration scheme based on the synergistic separation of the battery anode multi-metals according to the functional group types and the spatial arrangement characteristics of the candidate extractant molecular structures; and generating a selective separation process scheme according to the configuration scheme of the multifunctional extraction system and the coordinate environment evolution track. Acquiring element composition information and electrochemical behavior fingerprint data of a battery anode material to be separated and performing time-series association, wherein the acq