Method and equipment for determining proportion of components of multi-component molten salt, medium and product

Abstract

The invention provides a method and equipment for determining the proportion of multiple fused salt components, a medium and a product, and relates to the technical field of fused salt materials. The method comprises the following steps: determining a plurality of pure components forming the multi-element molten salt, and determining an interaction coefficient between any two pure components; determining a plurality of mixing ratios of the multi-element molten salt based on the plurality of pure components; and based on the multiple mixing ratios and the interaction coefficient between any two pure components, respectively determining melting enthalpies corresponding to the multiple mixing ratios, and determining the mixing ratio with the maximum melting enthalpy in the multiple mixing ratios as the component ratio of the multi-element molten salt. According to the method, the melting enthalpy error caused by the interaction of anions in the molten salt system is corrected through the interaction of different pure components, rapid prediction of the melting enthalpy of the multi-element mixed molten salt is achieved, the prediction precision of the melting enthalpy is remarkably improved, and the method is suitable for the complex multi-element mixed molten salt system.

Description

Technical Field

[0001] This application relates to the field of molten salt materials technology, and in particular to a method, equipment, medium and product for determining the proportion of a multi-component molten salt composition. Background Technology

[0002] Multi-component molten salt materials are widely used in key fields such as high-temperature thermal storage, solar thermal power generation, industrial waste heat recovery, nuclear energy systems, and high-temperature chemical reaction media due to their excellent thermal stability, high heat storage density, and tunable physicochemical properties. In these scenarios, the enthalpy of fusion of the molten salt is a core parameter that determines the system's heat storage capacity, thermal efficiency, and equipment size.

[0003] In existing technologies, methods for predicting the enthalpy of melting in multi-component mixed molten salts include linear mixing rules and activity models combined with binary interaction parameter methods. However, these methods cannot simultaneously meet the dual requirements of prediction efficiency and accuracy, making it difficult to support the rapid screening and optimization of multi-component molten salt materials. Summary of the Invention

[0004] This application provides a method, equipment, medium, and product for determining the composition ratio of multi-component molten salts, in order to solve the technical problem that existing methods for predicting the melting enthalpy of multi-component mixed molten salts cannot simultaneously meet the dual requirements of prediction efficiency and accuracy, and are difficult to support the rapid screening and optimization of multi-component molten salt materials.

[0005] In a first aspect, this application provides a method for determining the composition ratio of a multi-component molten salt, comprising:

[0006] The multiple pure components constituting the multi-component molten salt are determined, and the interaction coefficient between any two pure components is determined. The interaction coefficient is used to characterize the degree of influence of the interaction between different pure components on the enthalpy of fusion of the multi-component molten salt.

[0007] Based on the multiple pure components, multiple mixing ratios of the multi-component molten salt are determined;

[0008] Based on the plurality of mixing ratios and the interaction coefficients between any two pure components, the enthalpy of melting corresponding to the plurality of mixing ratios is determined, and the mixing ratio with the largest enthalpy of melting among the plurality of mixing ratios is determined as the component ratio of the multi-component molten salt.

[0009] In one possible implementation, determining the interaction coefficient between any two pure components includes:

[0010] For any first pure component and second pure component, the interaction coefficient between the first pure component and the second pure component is determined based on the anion type of the first pure component and the anion type of the second pure component.

[0011] In one possible implementation, determining the interaction coefficient between the first pure component and the second pure component based on the anion type of the first pure component and the anion type of the second pure component includes:

[0012] If the anion type of the first pure component and the anion type of the second pure component are the same, and the anion type belongs to the first anion type, then the preset interaction coefficient corresponding to the first anion type is determined as the interaction coefficient between the first pure component and the second pure component.

[0013] If the anion type does not belong to the first anion type, then the interaction coefficient between the first pure component and the second pure component is determined based on the ionic radius corresponding to the anion type and the preset interaction coefficient.

[0014] In one possible implementation, determining the interaction coefficient between the first pure component and the second pure component based on the anion type of the first pure component and the anion type of the second pure component further includes:

[0015] When the anion types of the first pure component and the second pure component are inconsistent, the interaction coefficients between the first pure component and the second pure component are determined based on the first interaction coefficient and the second interaction coefficient.

[0016] Wherein, the first interaction coefficient is the interaction coefficient between any two pure components whose anion type is the same as that of the first pure component, and the second interaction coefficient is the interaction coefficient between any two pure components whose anion type is the same as that of the second pure component.

[0017] In one possible implementation, determining the interaction coefficient between the first pure component and the second pure component based on the ionic radius corresponding to the anion type and the preset interaction coefficient includes:

[0018] When the anion type is the second anion type, the ratio of the first ionic radius of the second anion type to that of the first anion type is determined;

[0019] Based on the first ion radius ratio and the preset interaction coefficient, the interaction coefficient between the first pure component and the second pure component is determined;

[0020] If the anion type is not the second anion type, determine the ratio of the second ionic radius of the anion type to that of the second anion type;

[0021] The interaction coefficient between the first pure component and the second pure component is determined based on the second ionic radius ratio and the preset interaction coefficient.

[0022] In one possible implementation, determining the enthalpy of fusion corresponding to the plurality of mixing ratios based on the plurality of mixing ratios of the multi-component molten salt and the interaction coefficient between any two pure components includes:

[0023] Determine the enthalpy of fusion of each of the plurality of pure components;

[0024] For any of the aforementioned mixing ratios, determine the mass fraction of each of the plurality of pure components;

[0025] Based on the mass fraction of the multiple pure components in the mixing ratio, the enthalpy of melting of the multiple pure components, and the interaction coefficient between any two pure components, the enthalpy of melting corresponding to the multiple mixing ratios is determined respectively.

[0026] In one possible implementation, determining the enthalpy of melting corresponding to the plurality of mixing ratios based on the mass fraction of the plurality of pure components in the mixing ratio, the enthalpy of melting of the plurality of pure components, and the interaction coefficient between any two pure components includes:

[0027] Based on the mass fraction of the multiple pure components in the mixing ratio, the enthalpy of melting of the multiple pure components, and the interaction coefficient between any two pure components, the correction value of the enthalpy of melting of the multi-component molten salt is determined respectively.

[0028] Based on the mass fraction of the multiple pure components in the mixing ratio and the enthalpy of melting of the multiple pure components, the weighted value of the enthalpy of melting of the multi-component molten salt is determined;

[0029] The sum of the weighted value of the enthalpy of fusion of the multi-component molten salt and the corrected value of the enthalpy of fusion of the multi-component molten salt is determined as the enthalpy of fusion of the multi-component molten salt.

[0030] Secondly, this application provides an apparatus for determining the proportion of a multi-component molten salt composition, comprising:

[0031] The determination module is used to determine the multiple pure components that make up the multi-component molten salt and to determine the interaction coefficient between any two pure components. The interaction coefficient is used to characterize the degree of influence of the interaction between different pure components on the enthalpy of fusion of the multi-component molten salt.

[0032] The determining module is also used to determine multiple mixing ratios of the multi-component molten salt based on the multiple pure components.

[0033] The determining module is further configured to determine the melting enthalpy corresponding to the plurality of mixing ratios based on the plurality of mixing ratios and the interaction coefficient between any two pure components, and to determine the mixing ratio with the largest melting enthalpy among the plurality of mixing ratios as the component ratio of the multi-component molten salt.

[0034] In one possible implementation, the determining module is further configured to determine the interaction coefficient between the first pure component and the second pure component, based on the anion type of the first pure component and the anion type of the second pure component, for any first pure component and second pure component.

[0035] In one possible implementation, the determining module is further configured to, if the anion type of the first pure component and the anion type of the second pure component are the same, determine the preset interaction coefficient corresponding to the first anion type as the interaction coefficient between the first pure component and the second pure component if the anion type belongs to the first anion type.

[0036] If the anion type does not belong to the first anion type, the determining module is further configured to determine the interaction coefficient between the first pure component and the second pure component based on the ionic radius corresponding to the anion type and the preset interaction coefficient.

[0037] In one possible implementation, the determining module is further configured to determine the interaction coefficient between the first pure component and the second pure component based on a first interaction coefficient and a second interaction coefficient when the anion types of the first pure component and the second pure component are inconsistent.

[0038] Wherein, the first interaction coefficient is the interaction coefficient between any two pure components whose anion type is the same as that of the first pure component, and the second interaction coefficient is the interaction coefficient between any two pure components whose anion type is the same as that of the second pure component.

[0039] In one possible implementation, the determining module is further configured to determine, when the anion type is a second anion type, a first ionic radius ratio between the second anion type and the first anion type.

[0040] The determining module is further configured to determine the interaction coefficient between the first pure component and the second pure component based on the first ion radius ratio and the preset interaction coefficient.

[0041] The determining module is further configured to determine the ratio of the second ionic radius of the anion type to that of the second anion type when the anion type is not the second anion type.

[0042] The determining module is further configured to determine the interaction coefficient between the first pure component and the second pure component based on the second ion radius ratio and the preset interaction coefficient.

[0043] In one possible implementation, the determining module is further configured to determine the melting enthalpy of each of the plurality of pure components.

[0044] The determining module is further configured to determine the mass fraction of the plurality of pure components for any of the mixing ratios.

[0045] The determining module is further configured to determine the enthalpy of melting corresponding to the plurality of mixing ratios based on the mass fraction of the plurality of pure components in the mixing ratio, the enthalpy of melting of the plurality of pure components, and the interaction coefficient between any two pure components.

[0046] In one possible implementation, the determining module is further configured to determine the enthalpy correction value of the multi-component molten salt based on the mass fraction of the plurality of pure components in the mixing ratio, the enthalpy of melting of the plurality of pure components, and the interaction coefficient between any two pure components.

[0047] The determining module is further configured to determine the weighted value of the enthalpy of melting of the multi-component molten salt based on the mass fraction of the multiple pure components in the mixing ratio and the enthalpy of melting of the multiple pure components.

[0048] The determining module is further configured to determine the enthalpy of melting of the multi-component molten salt as the sum of the weighted value of the enthalpy of melting of the multi-component molten salt and the corrected value of the enthalpy of melting of the multi-component molten salt.

[0049] Thirdly, this application provides an electronic device, comprising:

[0050] Memory, processor;

[0051] The memory stores computer-executed instructions;

[0052] The processor executes computer execution instructions stored in the memory, causing the processor to perform the first aspect and / or various possible implementations of the first aspect as described above.

[0053] Fourthly, this application provides a computer storage medium storing computer-executable instructions, which, when executed by a processor, are used to implement the first aspect and / or various possible implementations of the first aspect.

[0054] Fifthly, this application provides a computer program product, including a computer program that, when executed by a processor, implements the first aspect and / or various possible implementations of the first aspect.

[0055] The method for determining the composition ratio of a multi-component molten salt provided in this application involves: identifying multiple pure components constituting the multi-component molten salt; determining the interaction coefficient between the first and second pure components based on their anion types; determining multiple mixing ratios of the multi-component molten salt based on the multiple pure components; determining the enthalpy of fusion of each pure component; determining the mass fraction of each pure component for any mixing ratio; and then determining the enthalpy of fusion corresponding to each mixing ratio based on the mass fraction of each pure component in the mixing ratio, the enthalpy of fusion of each pure component, and the interaction coefficient between any two pure components. This method utilizes the interaction between different pure components to correct the enthalpy of fusion error caused by anion interactions in the molten salt system, achieving rapid prediction of the enthalpy of fusion of multi-component mixed molten salts, significantly improving the prediction accuracy of the enthalpy of fusion, greatly shortening the calculation cycle of molten salt material combination ratios, avoiding dependence on experimental data, and being applicable to complex multi-component mixed molten salt systems. Attached Figure Description

[0056] The accompanying drawings, which are incorporated in and form part of this specification, illustrate embodiments consistent with this application and, together with the description, serve to explain the principles of this application.

[0057] Figure 1 A flowchart illustrating the method for determining the component ratio of multi-component molten salts provided in this application. Figure 1 ;

[0058] Figure 2 A flowchart illustrating the method for determining the component ratio of multi-component molten salts provided in this application. Figure 2 ;

[0059] Figure 3 A schematic diagram of the structure of the device for determining the proportion of multi-component molten salt components provided in this application;

[0060] Figure 4 This is a schematic diagram of the structure of the electronic device provided in this application.

[0061] The accompanying drawings illustrate specific embodiments of this application, which will be described in more detail below. These drawings and descriptions are not intended to limit the scope of the concept in any way, but rather to illustrate the concept of this application to those skilled in the art through reference to particular embodiments. Detailed Implementation

[0062] Exemplary embodiments will now be described in detail, examples of which are illustrated in the accompanying drawings. When the following description relates to the drawings, unless otherwise indicated, the same numbers in different drawings denote the same or similar elements. The embodiments described in the following exemplary embodiments do not represent all embodiments consistent with this application. Rather, they are merely examples of apparatuses and methods consistent with some aspects of this application as detailed in the appended claims.

[0063] To make the objectives, technical solutions, and advantages of this application clearer, the technical solutions of this application will be clearly and completely described below with reference to the accompanying drawings. Obviously, the described embodiments are only some embodiments of this application, not all embodiments. Based on the embodiments of this application, all other embodiments obtained by those skilled in the art without creative effort are within the scope of protection of this application.

[0064] The terms "first," "second," "third," "fourth," etc. (if present) in the specification, claims, and accompanying drawings of this invention are used to distinguish similar objects and are not necessarily used to describe a specific order or sequence. It should be understood that such data can be interchanged where appropriate so that embodiments of the invention described herein can be implemented, for example, in orders other than those illustrated or described herein.

[0065] In this application, the terms "exemplary" or "for example" are used to indicate examples, illustrations, or descriptions. Any embodiment or design described as "exemplary" or "for example" in this application should not be construed as being more preferred or advantageous than other embodiments or designs. Specifically, the use of terms such as "exemplary" or "for example" is intended to present the relevant concepts in a specific manner.

[0066] It should be noted that the user information (including but not limited to user device information, user personal information, etc.) and data (including but not limited to data used for analysis, data stored, data displayed, etc.) involved in this application are all information and data authorized by the user or fully authorized by all parties. Furthermore, the collection, use and processing of the relevant data must comply with relevant laws, regulations and standards, and corresponding operation entry points are provided for users to choose to authorize or refuse.

[0067] First, let me explain the terms used in this application:

[0068] Thermodynamic models are a series of mathematical equations and theoretical frameworks used to describe and predict the behavior of thermodynamic systems. They help to understand and optimize the energy conversion, phase equilibrium and chemical reaction processes of a system by establishing the relationship between system state variables (such as temperature, pressure, composition, etc.) and thermodynamic properties (such as internal energy, enthalpy, entropy, Gibbs free energy, etc.).

[0069] Multi-component mixed molten salt materials are widely used in key fields such as high-temperature thermal storage, solar thermal power generation, industrial waste heat recovery, nuclear energy systems, and high-temperature chemical reaction media due to their excellent thermal stability, high heat storage density, and tunable physicochemical properties. In these scenarios, multi-component mixed molten salts need to meet the requirements of high heat storage density, thermal stability, and low-cost development, and the enthalpy of fusion of multi-component mixed molten salts is a core parameter that determines the system's heat storage capacity, thermal efficiency, and equipment size.

[0070] In existing technologies, methods for predicting the enthalpy of melting of multi-component mixed molten salts include linear mixing rules and activity models combined with binary interaction parameter methods.

[0071] Among them, the linear mixing rule calculates the enthalpy of melting of the mixture by weighted average of the enthalpy of melting of the pure components; the activity model and the binary interaction parameter method are based on thermodynamic models, fit binary interaction parameters (such as activity coefficients) through experimental data, and then calculate the enthalpy of melting of the mixed molten salt by combining phase diagram data.

[0072] However, the linear mixing rule does not take into account the interaction between components, resulting in insufficient accuracy in predicting the enthalpy of melting. The binary interaction parameter method based on the activity model relies on a large amount of experimental data, and the data acquisition cost is high and the cycle is long, and it is difficult to directly extend to multi-component systems.

[0073] Therefore, existing methods for predicting the enthalpy of melting of multi-component mixed molten salts cannot simultaneously meet the dual requirements of prediction efficiency and accuracy, making it difficult to support the rapid screening and optimization of multi-component molten salt materials.

[0074] To address the aforementioned issues, this application provides a method for determining the component ratio of a multi-component molten salt. Based on the physicochemical properties of the anion species in the multi-component mixed molten salt system (the dominance of anion species in interactions), the method quantifies the influence of the interaction between any two components in the multi-component mixed molten salt on the enthalpy of fusion of the molten salt. Combining the enthalpies of fusion of different components in the multi-component mixed molten salt, the method comprehensively calculates the enthalpy of fusion of the multi-component mixed molten salt. This method achieves rapid and high-precision prediction of the enthalpy of fusion of multi-component mixed molten salts, avoids the dependence on experimental data by the traditional binary interaction parameter method, and is applicable to complex multi-component mixed molten salt systems.

[0075] The technical solution of this application and how the technical solution of this application solves the above-mentioned technical problems are described in detail below with specific embodiments. These specific embodiments can be combined with each other, and the same or similar concepts or processes may not be described again in some embodiments. The embodiments of this application will now be described with reference to the accompanying drawings.

[0076] Figure 1 A flowchart illustrating the method for determining the proportion of a multi-component molten salt composition provided in the embodiments of this application. Figure 1The execution entity in this embodiment can be, for example, a melting enthalpy calculation model set up in a high-temperature thermal storage system. Figure 1 As shown, the method for determining the proportion of a multi-component molten salt composition provided in this embodiment includes:

[0077] S101: Determine the multiple pure components that make up the multi-component molten salt, and determine the interaction coefficient between any two pure components.

[0078] The interaction coefficient is used to characterize the degree of influence of the interaction between different pure components on the enthalpy of fusion of multi-component molten salts.

[0079] In the embodiments of this application, the multi-component molten salt is a melt formed by mixing two or more different molten salts in a specific ratio; the enthalpy of fusion of the multi-component molten salt refers to the heat absorbed by a unit mass of the multi-component molten salt when it changes from solid to liquid during the melting process. Its value is affected by the types, ratios and interactions of the components, and is a key parameter for evaluating the thermal storage performance of the multi-component molten salt.

[0080] Understandably, a pure component refers to a substance with a single chemical composition, no impurities, and uniform physical properties. Mixing two or more different pure components will yield a multi-component molten salt. The interaction coefficient refers to the parameter that affects the thermodynamic properties (such as melting point, activity, and enthalpy of fusion) of a multi-component molten salt when any two pure components are mixed, due to the interaction between anions.

[0081] For example, if the pure components of the multi-component molten salt material to be configured include: Na₂CO₃, NaOH, and NaCl; the interaction coefficients between any two pure components include: , , , , , .

[0082] S102: Based on multiple pure components, determine multiple mixing ratios of multi-component molten salts.

[0083] The mixing ratio is used to indicate the mass percentage of each pure component in the multi-component molten salt.

[0084] Understandably, different application scenarios have different requirements for molten salt performance (such as melting point, thermal stability, and heat storage density). By dynamically adjusting the mixing ratio of multi-component molten salts, the performance of molten salts can be optimized to meet the specific needs of molten salt materials in different scenarios. For example, solar thermal power generation requires multi-component molten salts to operate stably in the temperature range of 250-350℃, and the melting point of multi-component molten salts needs to be controlled at 140-220℃ through ratio adjustment.

[0085] For example, based on the pure components of the ternary molten salt to be configured, the determined mixing ratios include: "Mixing ratio 1: 30%-30%-40%", "Mixing ratio 2: 40%-30%-30%", and "Mixing ratio 3: 30%-40%-30%". This application does not impose any special restrictions on the determination of the mixing ratios.

[0086] In some embodiments, a deep learning model is used to learn the mixing ratios of different multi-element molten salts under different application scenarios, thereby achieving automated output of the mixing ratios of the multi-element molten salts to be configured.

[0087] S103: Based on multiple mixing ratios and the interaction coefficient between any two pure components, determine the melting enthalpy corresponding to each of the multiple mixing ratios, and determine the mixing ratio with the largest melting enthalpy among the multiple mixing ratios as the component ratio of the multi-component molten salt.

[0088] Based on the multiple pure components in the current multi-component molten salt, the melting enthalpy corresponding to the molten salt of different pure components is determined; for different mixing ratios, the mass proportion of different pure components in the corresponding ratio can be determined; based on the interaction coefficient between any two pure components and the melting enthalpy of the corresponding pure components, the melting enthalpy error caused by the interaction between anions between the two pure components is determined.

[0089] For different mixing ratios, a weighted value for the enthalpy of melting of multiple pure components is determined based on the mass percentage of different pure components and the enthalpy of melting of the molten salts corresponding to different pure components. Then, the weighted value is corrected by using the enthalpy error between any two pure components to obtain the enthalpy of melting of the multi-component molten salts with the corresponding mixing ratio.

[0090] Multiple mixing ratios were screened based on their enthalpy of melting, and the mixing ratio with the highest enthalpy of melting among the multiple mixing ratios was determined as the composition ratio of the multi-element molten salt to be prepared in this batch.

[0091] Understandably, the enthalpy of fusion refers to the heat absorbed by a pure substance when it changes from a solid to a liquid state under melting point conditions, which is equal to the increase in the enthalpy of the system before and after the process; the enthalpy of fusion of a pure component is the core thermodynamic parameter describing the energy change during its solid-liquid phase transition.

[0092] Therefore, in the process of predicting the enthalpy of fusion of multi-component molten salts with different mixing ratios, by comparing the magnitude of the enthalpy of fusion of different mixing ratios, the heat storage performance of the multi-component molten salt material with the corresponding mixing ratio can be reflected. In this way, the mixing ratio of the multi-component molten salt with the best heat storage performance can be determined, realizing the rapid screening of the mixing ratio of multi-component molten salt materials and accelerating the research and development cycle of molten salt materials.

[0093] The method for determining the composition ratio of a multi-component molten salt provided in this embodiment involves identifying multiple pure components that make up the multi-component molten salt and determining the interaction coefficient between any two pure components; based on the multiple pure components, determining multiple mixing ratios of the multi-component molten salt; and based on the multiple mixing ratios and the interaction coefficient between any two pure components, determining the enthalpy of melting corresponding to each of the multiple mixing ratios, and determining the mixing ratio with the largest enthalpy of melting among the multiple mixing ratios as the composition ratio of the multi-component molten salt. This method utilizes the interaction between different pure components to correct the error in enthalpy of melting caused by anion interaction in the molten salt system, achieving rapid prediction of the enthalpy of melting of multi-component mixed molten salts and significantly improving the prediction accuracy of enthalpy of melting, making it suitable for complex multi-component mixed molten salt systems.

[0094] Figure 2 A flowchart illustrating the method for determining the proportion of a multi-component molten salt composition provided in the embodiments of this application. Figure 2 .like Figure 2 As shown, in this embodiment... Figure 1 Based on the examples, the method for determining the proportion of multi-component molten salt components is described in detail. This method includes:

[0095] S201: Identify the multiple pure components that make up the multi-component molten salt.

[0096] S202: For any first pure component and second pure component, determine the interaction coefficient between the first pure component and the second pure component based on the anion type of the first pure component and the anion type of the second pure component.

[0097] The anion type is used to indicate examples of negatively charged pure components in a multi-component molten salt.

[0098] Understandably, the first pure component and the second pure component are two pure components arbitrarily selected from the multiple pure components of the multi-element molten salt.

[0099] In most multi-component molten salt systems, cations are mostly of the same type and have similar properties. They have small radii, concentrated charges, and electron clouds that are not easily deformed. The differences between different cations are small, and their interactions with anions are mainly Coulomb attraction with little difference in strength. On the other hand, anions vary greatly in type, have large radii, and their electron clouds are easily deformed. They are significantly different in size, charge, and spatial structure. Their interactions include not only Coulomb repulsion but also polarization interactions that are extremely sensitive to their type.

[0100] Therefore, in multi-component molten salts, the interaction coefficient between any two pure component molten salts mainly depends on the interaction between anions.

[0101] In some embodiments, when the anion type of the first pure component and the anion type of the second pure component are the same, if the anion type belongs to the first anion type, then the preset interaction coefficient corresponding to the first anion type is determined as the interaction coefficient between the first pure component and the second pure component; if the anion type does not belong to the first anion type, then the interaction coefficient between the first pure component and the second pure component is determined based on the ionic radius corresponding to the anion type and the preset interaction coefficient.

[0102] The first anion type may include, for example, and The preset interaction coefficient is a quantitative parameter used to indicate the interaction between any two identical first anion types, and the ionic radius is used to indicate the effective radius of the ion in the crystal or solution.

[0103] In this embodiment, the first anion type is associated with a preset interaction coefficient; each anion of the first anion type has a unique corresponding preset interaction coefficient, which is calculated based on the interaction coefficient between the molten salts of two pure components with the same anion type after confirming that the two pure components have the same anion type. This application does not impose any special restrictions on the calculation of the preset interaction coefficient corresponding to the first anion type.

[0104] For example, if the first pure component is BaCl2 and the second pure component is CaCl2, both have the same anion type. At this point, the first anion type is The pre-defined interaction coefficient K1 between the two corresponding chloride salts is determined to be the interaction coefficient between BaCl2 and CaCl2; if the first pure component is NaOH and the second pure component is KOH, both have anion types of... At this point, the first anion type is The pre-defined interaction coefficient K2 between the two corresponding chloride salts is determined to be the interaction coefficient between BaCl2 and CaCl2; if the anion type is neither It is not Then, based on the ionic radii corresponding to the anion types of the two pure components and the preset interaction coefficients, the interaction coefficients of the first and second pure components are determined.

[0105] In other embodiments, if the anion type of the first pure component is the same as that of the second pure component, and the anion type does not belong to the first anion type, it is determined whether the anion type of the first pure component and the anion type of the second pure component are the second anion type; if the anion type is the second anion type, a first ionic radius ratio of the second anion type to the first anion type is determined; based on the first ionic radius ratio and a preset interaction coefficient, the interaction coefficient between the first pure component and the second pure component is determined; if the anion type is not the second anion type, a second ionic radius ratio of the anion type to the second anion type is determined; based on the second ionic radius ratio and the preset interaction coefficient, the interaction coefficient between the first pure component and the second pure component is determined.

[0106] The second anion type can be, for example, .

[0107] For example, the anion type of the first pure component is the same as that of the second pure component, and the anion type is neither... It is not In this case, determine whether the anion type is If the anion type is Then determine respectively and The ionic radius, combined The corresponding preset action coefficient K1 is calculated. The interaction coefficient between the two corresponding fluoride salts is shown in Formula 1 below:

[0108] (1)

[0109] in, This represents the interaction coefficient between component i and component j; Indicates the ionic radius of the chloride ion. This represents the ionic radius of the fluoride ion.

[0110] If the anion type is not It can be determined that the anions of the first and second pure components belong to neither the first anion type nor the second anion type. In this case, determine respectively... and The ionic radius, combined The corresponding preset action coefficient K1 is calculated. The interaction coefficient between the two corresponding nitrates is shown in Formula 2 below:

[0111] (2)

[0112] in, This represents the ionic radius of the nitrate ion.

[0113] In some embodiments, when the anion types of the first pure component and the second pure component are inconsistent, the interaction coefficients of the first pure component and the second pure component are determined based on the first interaction coefficient and the second interaction coefficient.

[0114] Wherein, the first interaction coefficient is the interaction coefficient between any two pure components whose anion type is the first pure component, and the second interaction coefficient is the interaction coefficient between any two pure components whose anion type is the second pure component.

[0115] Understandably, the first and second interaction coefficients are essentially the same; both are quantitative parameters of the strength of interionic forces between anions of the same type. For example, if the first pure component is BaCl2 and the second pure component is LiF, then the first interaction coefficient refers to the interaction force between anions of the same type. The interaction coefficient between the two corresponding chloride salts, also known as the preset interaction coefficient K1, and the second interaction coefficient refer to the anion type. The interaction coefficient between the two corresponding fluoride salts is the interaction coefficient calculated using Formula 1.

[0116] When the anion types of the first pure component and the second pure component are inconsistent, the first interaction coefficient and the second interaction coefficient are weighted and calculated, and the result is determined as the interaction coefficient between the first pure component and the second pure component.

[0117] For example, when the anion types of the first pure component and the second pure component are different, Formula 3 is used to calculate the interaction coefficient between the first pure component and the second pure component. Formula 3 is as follows:

[0118] (3)

[0119] Where A represents the anion of component i, and B represents the anion of component j. This indicates that when both anions are A... , This indicates when both anions are B. .

[0120] S203: Based on multiple pure components, determine multiple mixing ratios of multi-component molten salts.

[0121] Step S203 is similar to step S102 above, and will not be described again here.

[0122] S204: Determine the enthalpy of fusion of each of the multiple pure components.

[0123] S205: For any given mixing ratio, determine the mass fraction of multiple pure components.

[0124] S206: Based on the mass fraction of multiple pure components in the mixing ratio, the enthalpy of melting of multiple pure components, and the interaction coefficient between any two pure components, determine the enthalpy of melting corresponding to multiple mixing ratios respectively.

[0125] Among them, the mass fraction is used to describe the mass proportion of different pure components in the multi-component molten salt under different mixing ratios.

[0126] For the multiple pure components of the multi-component molten salt to be configured, the enthalpy of fusion corresponding to the molten salt of different pure components is determined respectively; for any mixing ratio, the mass fraction of multiple pure components is determined respectively, and the weighted value of the enthalpy of fusion of multiple pure components is determined according to the mass fraction of different pure components and the enthalpy of fusion of different pure component molten salts; then, based on the interaction coefficient between any two pure components and the enthalpy of fusion of the corresponding pure components, the enthalpy error of fusion caused by the interaction between anions between the two pure components is determined, and the weighted value obtained from the enthalpy error of fusion is used to correct it, so as to obtain the enthalpy of fusion of the multi-component molten salt of the corresponding mixing ratio.

[0127] In some embodiments, the enthalpy correction value of the multi-component molten salt is determined based on the mass fraction of multiple pure components in the mixing ratio, the enthalpy of melting of multiple pure components, and the interaction coefficient between any two pure components; the weighted value of the enthalpy of melting of the multi-component molten salt is determined based on the mass fraction of multiple pure components in the mixing ratio and the enthalpy of melting of multiple pure components; and the sum of the weighted value of the enthalpy of melting of the multi-component molten salt and the enthalpy correction value of the multi-component molten salt is determined as the enthalpy of melting of the multi-component molten salt.

[0128] Understandably, the enthalpy correction value refers to the enthalpy error between two pure components due to the interaction between anions; the weighted enthalpy value is calculated by weighting the enthalpy of the pure component molten salt according to different mass fractions.

[0129] For example, the enthalpy of fusion of multi-component molten salts with different mixing ratios can be calculated using Formula 4, which is shown below:

[0130] (4)

[0131] in, It is the enthalpy of fusion of a multi-component molten salt. It is a weighted value of enthalpy of fusion. It is the enthalpy of melting correction value.

[0132] Specifically, the enthalpy of fusion weighted value Formula 5 can be used for calculation, as shown below:

[0133] (5)

[0134] Where i represents component i, and j represents component j. This represents the mass fraction of component i. This represents the enthalpy of fusion of component i.

[0135] Enthalpy of Melting Correction Formula 6 can be used for calculation, as shown below:

[0136] (6)

[0137] in, This represents the mass fraction of component j. This represents the enthalpy of fusion of component j.

[0138] In the embodiments of this application, linear weighting or nonlinear weighting can be used to determine the weighted value of the enthalpy of melting. This application does not impose any special restrictions on the weighting method of the enthalpy of melting.

[0139] In some embodiments, machine learning algorithms (such as random forests or neural networks) are used to optimize the process of determining the relative action coefficients, and the model is trained using historical experimental data and dynamically corrected. The calculation formula.

[0140] For example, using historical experimental data (such as anion combinations, experimental enthalpy of melting, and mass fraction) as the training set, and inputting features such as anion type, ionic radius, and charge density, the output... The correction coefficients; the trained model can automatically identify the key features of anion combination pairs and generate models adapted to different scenarios. Correction factors; for example, in a chloride-fluoride mixture, the model can automatically learn the ratio of ionic radii and... The nonlinear relationship is dynamically corrected. The calculation formula.

[0141] In other embodiments, a dynamic correction factor for anion charge density is introduced during the calculation of the relative interaction coefficient, adjusting for differences in charge density among different anion types. The calculation formula is as follows; specifically, a nonlinear mapping relationship between charge density and aij can be established by analyzing the charge density of anions (the ratio of charge to ion volume).

[0142] For example, in calculating the ratio of fluoride ions to nitrate ions... If the charge density of nitrate ions is significantly higher than that of fluoride ions, the weighting coefficient of the ionic radius ratio is adjusted to better reflect the actual interaction strength.

[0143] In the embodiments of this application, the anion types in the multi-element molten salt include, but are not limited to, at least one of chloride ion, fluoride ion, bromide ion, nitrate ion, carbonate ion, hydroxide ion, and sulfate ion.

[0144] The method for determining the composition ratio of a multi-component molten salt provided in this embodiment involves: identifying multiple pure components constituting the multi-component molten salt; determining the interaction coefficient between the first and second pure components based on their anion types; determining multiple mixing ratios of the multi-component molten salt based on the multiple pure components; determining the enthalpy of fusion of each pure component; determining the mass fraction of each pure component for any mixing ratio; and then determining the enthalpy of fusion corresponding to each mixing ratio based on the mass fraction of each pure component in the mixing ratio, the enthalpy of fusion of each pure component, and the interaction coefficient between any two pure components. This method utilizes the interaction between different pure components to correct the enthalpy of fusion error caused by anion interactions in the molten salt system, achieving rapid prediction of the enthalpy of fusion of multi-component mixed molten salts, significantly improving the prediction accuracy of the enthalpy of fusion, greatly shortening the calculation cycle of molten salt material combination ratios, avoiding dependence on experimental data, and being applicable to complex multi-component mixed molten salt systems.

[0145] Figure 3 A schematic diagram of the apparatus for determining the proportion of a multi-component molten salt composition provided in this application. Figure 3 As shown, this application provides an apparatus for determining the proportion of a multi-component molten salt composition. The apparatus 300 for determining the proportion of a multi-component molten salt composition includes:

[0146] The determination module 301 is used to determine the multiple pure components that make up the multi-component molten salt and to determine the interaction coefficient between any two pure components. The interaction coefficient is used to characterize the degree of influence of the interaction between different pure components on the enthalpy of fusion of the multi-component molten salt.

[0147] The determination module 301 is also used to determine multiple mixing ratios of multi-component molten salts based on multiple pure components.

[0148] The determining module 301 is also used to determine the melting enthalpy corresponding to the multiple mixing ratios based on the multiple mixing ratios and the interaction coefficient between any two pure components, and to determine the mixing ratio with the largest melting enthalpy among the multiple mixing ratios as the component ratio of the multi-component molten salt.

[0149] In one possible implementation, the determining module 301 is further configured to determine the interaction coefficient between the first pure component and the second pure component, based on the anion type of the first pure component and the anion type of the second pure component, for any first pure component and second pure component.

[0150] In one possible implementation, the determining module 301 is further configured to, if the anion type of the first pure component and the anion type of the second pure component are the same, determine the preset interaction coefficient corresponding to the first anion type as the interaction coefficient between the first pure component and the second pure component if the anion type belongs to the first anion type.

[0151] If the anion type does not belong to the first anion type, the determination module 301 is also used to determine the interaction coefficient between the first pure component and the second pure component based on the ionic radius corresponding to the anion type and the preset interaction coefficient.

[0152] In one possible implementation, the determining module 301 is further configured to determine the interaction coefficient between the first pure component and the second pure component based on the first interaction coefficient and the second interaction coefficient when the anion type of the first pure component and the anion type of the second pure component are inconsistent.

[0153] Wherein, the first interaction coefficient is the interaction coefficient between any two pure components whose anion type is the first pure component, and the second interaction coefficient is the interaction coefficient between any two pure components whose anion type is the second pure component.

[0154] In one possible implementation, the determining module 301 is further configured to determine the ratio of the first ionic radius of the second anion type to that of the first anion type when the anion type is the second anion type.

[0155] The determination module 301 is also used to determine the interaction coefficient between the first pure component and the second pure component based on the first ionic radius ratio and the preset interaction coefficient.

[0156] The determination module 301 is also used to determine the ratio of the second ion radius of the anion type to that of the second anion type when the anion type is not the second anion type.

[0157] The determination module 301 is also used to determine the interaction coefficient between the first pure component and the second pure component based on the second ionic radius ratio and the preset interaction coefficient.

[0158] In one possible implementation, the determining module 301 is further configured to determine the melting enthalpy of the plurality of pure components respectively.

[0159] The determination module 301 is also used to determine the mass fraction of multiple pure components for any given mixing ratio.

[0160] The determining module 301 is also used to determine the melting enthalpy corresponding to multiple mixing ratios based on the mass fraction of multiple pure components in the mixing ratio, the melting enthalpy of multiple pure components, and the interaction coefficient between any two pure components.

[0161] In one possible implementation, the determining module 301 is further configured to determine the enthalpy correction value of the multi-component molten salt based on the mass fraction of multiple pure components in the mixing ratio, the enthalpy of melting of multiple pure components, and the interaction coefficient between any two pure components.

[0162] The determination module 301 is also used to determine the weighted value of the melting enthalpy of the multi-component molten salt based on the mass fraction of multiple pure components in the mixing ratio and the melting enthalpy of multiple pure components.

[0163] The determining module 301 is also used to determine the sum of the weighted value of the enthalpy of melting of the multi-component molten salt and the corrected value of the enthalpy of melting of the multi-component molten salt as the enthalpy of melting of the multi-component molten salt.

[0164] The apparatus for determining the proportion of multi-component molten salt components provided in this embodiment can execute the method provided in the above-described method embodiment. Its implementation principle and technical effect are similar, and will not be described in detail here.

[0165] Figure 4 A schematic diagram of the structure of the electronic device provided in this application. Figure 4 As shown, the electronic device 400 provided in this embodiment includes at least one processor 401 and a memory 402. Optionally, the device 400 further includes a communication component 403. The processor 401, memory 402, and communication component 403 are connected via a bus.

[0166] In a specific implementation, at least one processor 401 executes computer execution instructions stored in memory 402, causing at least one processor 401 to perform the above-described method.

[0167] The specific implementation process of processor 401 can be found in the above method embodiments, and its implementation principle and technical effect are similar. It will not be repeated here.

[0168] In the above embodiments, it should be understood that the processor can be a Central Processing Unit (CPU), or other general-purpose processors, digital signal processors (DSPs), application-specific integrated circuits (ASICs), etc. The general-purpose processor can be a microprocessor or any conventional processor. The steps of the method disclosed in this invention can be directly implemented by a hardware processor, or implemented by a combination of hardware and software modules within the processor.

[0169] The memory may include random access memory (RAM) and may also include non-volatile memory (NVM), such as at least one disk storage device.

[0170] The bus can be an Industry Standard Architecture (ISA) bus, a Peripheral Component Interconnect (PCI) bus, or an Extended Industry Standard Architecture (EISA) bus, etc. Buses can be categorized as address buses, data buses, control buses, etc. For ease of illustration, the buses shown in the accompanying drawings are not limited to a single bus or a single type of bus.

[0171] This application also provides a computer-readable storage medium storing computer-executable instructions, which, when executed by a processor, implement the above-described method.

[0172] This application also provides a computer program product, including a computer program that, when executed by a processor, implements the above-described method.

[0173] The aforementioned readable storage medium can be implemented by any type of volatile or non-volatile storage device or a combination thereof, such as static random access memory (SRAM), electrically erasable programmable read-only memory (EEPROM), erasable programmable read-only memory (EPROM), programmable read-only memory (PROM), read-only memory (ROM), magnetic storage, flash memory, magnetic disk, or optical disk. The readable storage medium can be any available medium accessible to a general-purpose or special-purpose computer.

[0174] An exemplary readable storage medium is coupled to a processor, enabling the processor to read information from and write information to the readable storage medium. Of course, the readable storage medium can also be a component of the processor. The processor and the readable storage medium can reside in an Application Specific Integrated Circuit (ASIC). Alternatively, the processor and the readable storage medium can exist as discrete components in the device.

[0175] The division of units is merely a logical functional division; in actual implementation, there may be other division methods. For example, multiple units or components may be combined or integrated into another system, or some features may be ignored or not executed. Furthermore, the coupling or direct coupling or communication connection shown or discussed may be indirect coupling or communication connection through some interfaces, devices, or units, and may be electrical, mechanical, or other forms.

[0176] The units described as separate components may or may not be physically separate. The components shown as units may or may not be physical units; that is, they may be located in one place or distributed across multiple network units. Some or all of the units can be selected to achieve the purpose of this embodiment according to actual needs.

[0177] In addition, the functional units in the various embodiments of the present invention can be integrated into one processing unit, or each unit can exist physically separately, or two or more units can be integrated into one unit.

[0178] If a function is implemented as a software functional unit and sold or used as an independent product, it can be stored in a computer-readable storage medium. Based on this understanding, the technical solution of this invention, or the part that contributes to the prior art, or a part of the technical solution, can be embodied in the form of a software product. This computer software product is stored in a storage medium and includes several instructions to cause a computer device (which may be a personal computer, server, or network device, etc.) to execute all or part of the steps of the methods of the various embodiments of this invention. The aforementioned storage medium includes various media capable of storing program code, such as USB flash drives, portable hard drives, read-only memory (ROM), random access memory (RAM), magnetic disks, or optical disks.

[0179] Those skilled in the art will understand that all or part of the steps of the above-described method embodiments can be implemented by hardware related to program instructions. The aforementioned program can be stored in a computer-readable storage medium. When executed, the program performs the steps of the above-described method embodiments; and the aforementioned storage medium includes various media capable of storing program code, such as ROM, RAM, magnetic disks, or optical disks.

[0180] Finally, it should be noted that other embodiments of the invention will readily occur to those skilled in the art upon consideration of the specification and practice of the invention disclosed herein. This invention is intended to cover any variations, uses, or adaptations of the invention that follow the general principles of the invention and include common knowledge or customary techniques in the art not disclosed herein, and is not limited to the precise structures described above and shown in the accompanying drawings, and various modifications and changes can be made without departing from its scope. The scope of the invention is limited only by the appended claims.

Claims

1. A method for determining the proportions of a multi-component molten salt composition, characterized in that, include: The multiple pure components constituting the multi-component molten salt are determined, and the interaction coefficient between any two pure components is determined. The interaction coefficient is used to characterize the degree of influence of the interaction between different pure components on the enthalpy of fusion of the multi-component molten salt. Based on the multiple pure components, multiple mixing ratios of the multi-component molten salt are determined; Based on the plurality of mixing ratios and the interaction coefficients between any two pure components, the enthalpy of melting corresponding to the plurality of mixing ratios is determined, and the mixing ratio with the largest enthalpy of melting among the plurality of mixing ratios is determined as the component ratio of the multi-component molten salt.

2. The method according to claim 1, characterized in that, Determining the interaction coefficient between any two pure components includes: For any first pure component and second pure component, the interaction coefficient between the first pure component and the second pure component is determined based on the anion type of the first pure component and the anion type of the second pure component.

3. The method according to claim 2, characterized in that, Determining the interaction coefficient between the first pure component and the second pure component based on the anion type of the first pure component and the anion type of the second pure component includes: If the anion type of the first pure component and the anion type of the second pure component are the same, and the anion type belongs to the first anion type, then the preset interaction coefficient corresponding to the first anion type is determined as the interaction coefficient between the first pure component and the second pure component. If the anion type does not belong to the first anion type, then the interaction coefficient between the first pure component and the second pure component is determined based on the ionic radius corresponding to the anion type and the preset interaction coefficient.

4. The method according to claim 3, characterized in that, The determination of the interaction coefficient between the first pure component and the second pure component based on the anion type of the first pure component and the anion type of the second pure component further includes: When the anion types of the first pure component and the second pure component are inconsistent, the interaction coefficients between the first pure component and the second pure component are determined based on the first interaction coefficient and the second interaction coefficient. Wherein, the first interaction coefficient is the interaction coefficient between any two pure components whose anion type is the same as that of the first pure component, and the second interaction coefficient is the interaction coefficient between any two pure components whose anion type is the same as that of the second pure component.

5. The method according to claim 3, characterized in that, The step of determining the interaction coefficient between the first pure component and the second pure component based on the ionic radius corresponding to the anion type and the preset interaction coefficient includes: When the anion type is the second anion type, the ratio of the first ionic radius of the second anion type to that of the first anion type is determined; Based on the first ion radius ratio and the preset interaction coefficient, the interaction coefficient between the first pure component and the second pure component is determined; If the anion type is not the second anion type, determine the ratio of the second ionic radius of the anion type to that of the second anion type; The interaction coefficient between the first pure component and the second pure component is determined based on the second ionic radius ratio and the preset interaction coefficient.

6. The method according to claim 4, characterized in that, The determination of the enthalpy of fusion corresponding to the plurality of mixing ratios based on the plurality of mixing ratios of the plurality of multi-component molten salts and the interaction coefficients between any two pure components includes: Determine the enthalpy of fusion of each of the plurality of pure components; For any of the aforementioned mixing ratios, determine the mass fraction of each of the plurality of pure components; Based on the mass fraction of the multiple pure components in the mixing ratio, the enthalpy of melting of the multiple pure components, and the interaction coefficient between any two pure components, the enthalpy of melting corresponding to the multiple mixing ratios is determined respectively.

7. The method according to claim 6, characterized in that, The step of determining the enthalpy of melting corresponding to the plurality of mixing ratios based on the mass fraction of the plurality of pure components in the mixing ratio, the enthalpy of melting of the plurality of pure components, and the interaction coefficient between any two pure components includes: Based on the mass fraction of the multiple pure components in the mixing ratio, the enthalpy of melting of the multiple pure components, and the interaction coefficient between any two pure components, the correction value of the enthalpy of melting of the multi-component molten salt is determined respectively. Based on the mass fraction of the multiple pure components in the mixing ratio and the enthalpy of melting of the multiple pure components, the weighted value of the enthalpy of melting of the multi-component molten salt is determined; The sum of the weighted value of the enthalpy of fusion of the multi-component molten salt and the corrected value of the enthalpy of fusion of the multi-component molten salt is determined as the enthalpy of fusion of the multi-component molten salt.

8. An electronic device, characterized in that, include: Memory, processor; The memory stores computer-executed instructions; The processor executes computer execution instructions stored in the memory, causing the processor to perform the method as described in any one of claims 1-7.

9. A computer-readable storage medium, characterized in that, The computer-readable storage medium stores computer-executable instructions, which, when executed by a processor, are used to implement the method as described in any one of claims 1-7.

10. A computer program product, characterized in that, Includes a computer program that, when executed by a processor, implements the method described in any one of claims 1-7.

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