System for predicting composition change of inorganic material and method for predicting composition change of inorganic material

Abstract

To provide a composition change prediction system of an inorganic material capable of predicting the composition change of the inorganic material.SOLUTION: An inorganic material composition change prediction system according to the present invention includes a database creation unit that creates a prediction database having prediction data including thermodynamic parameters and energy of a process in which a product is generated from an inorganic material calculated by theoretical calculation using a generation reaction model in which the product is generated from the inorganic material, and a composition change calculation unit that performs reaction simulation of the product using the prediction database and calculates a composition change of the inorganic material.SELECTED DRAWING: Figure 1

Description

[Technical Field]

[0001] The present invention relates to a system and a method for predicting a change in composition of an inorganic material. [Background technology]

[0002] Radioactive waste generated at nuclear power plants, reprocessing facilities, and other nuclear facilities is contained in radioactive waste disposal containers, sealed, and disposed of underground. Radioactive waste disposal containers are made of inorganic materials such as steel, alloys, and ceramics. Radioactive waste disposal containers are required to have long-term durability and reliability in order to store radioactive waste for a long period of time without leaking to the outside.

[0003] Therefore, as an apparatus for predicting the deterioration of radioactive waste disposal containers, for example, a deterioration diagnosis system for radioactive waste disposal containers has been disclosed that detects changes in electrical resistance between the main body material wall and the corrosion-resistant barrier material wall of the radioactive waste disposal container and estimates the loss of the corrosion-resistant barrier function of the corrosion-resistant barrier material wall based on the detection results (see, for example, Patent Document 1). [Prior art documents] [Patent documents]

[0004] [Patent Document 1] Patent No. 4679116 Summary of the Invention [Problem to be solved by the invention]

[0005] However, the deterioration diagnosis system for radioactive waste disposal containers in Patent Document 1 does not consider changes over time in the composition of the inorganic material that makes up the wall of the main body material. Some components contained in the inorganic material are crystallized to produce products, which change the composition of the inorganic material, causing the inorganic material to deteriorate. Therefore, in order to improve the accuracy of predicting the lifespan of the inorganic material, it is necessary to predict the changes in the composition of the inorganic material due to the production of products from the inorganic material and take into account the deterioration process of the inorganic material.

[0006] When predicting the lifespan of an inorganic material by observing its degradation process based on measurements obtained through model experiments or accelerated tests, a huge number of measurements are required. However, actually measuring and obtaining these measurements requires a great deal of time and effort, making it unrealistic. Furthermore, since it is extremely difficult to actually obtain accurate measurements, even if one attempts to reproduce experimental results through fitting, it is difficult to accurately control the experimental conditions, making it difficult to obtain accurate measurements. Furthermore, because the degradation phenomenon of inorganic materials is very slow, even if predicted values ​​are obtained through model experiments or accelerated tests, the predicted values ​​are likely to deviate from those of the actual system, making them unreliable.

[0007] Therefore, there is a need for a method that can predict the lifespan of inorganic materials by predicting the changes in the composition of inorganic materials that occur due to the production of products from the inorganic materials, simply through simulation without preparing any measured values, even under complex conditions where various parameters that are external factors fluctuate.

[0008] An object of one aspect of the present invention is to provide a system for predicting composition changes in inorganic materials, which can predict composition changes in inorganic materials. [Means for solving the problem]

[0009] One aspect of the present invention is a database creation unit that creates a prediction database having prediction data including thermodynamic parameters and energy of a process in which a product is produced from an inorganic material, the prediction data being calculated by theoretical calculation using a production reaction model in which the product is produced from the inorganic material; and a composition change calculation unit that uses the prediction database to perform a reaction simulation of the product and calculates a composition change of the inorganic material; The present invention provides a system for predicting changes in the composition of inorganic materials.

[0010] Another aspect of the present invention is a database creation step of creating a prediction database having prediction data including thermodynamic parameters and energy of a process in which a product is produced from an inorganic material, the prediction data being calculated by theoretical calculation using a production reaction model in which the product is produced from the inorganic material; a composition change calculation step of calculating a composition change of the inorganic material by performing a reaction simulation of the product using the prediction database; The present invention provides a method for predicting a change in the composition of an inorganic material, comprising: [Effects of the Invention]

[0011] A system for predicting a composition change of an inorganic material according to one aspect of the present invention can predict a composition change of an inorganic material. [Brief explanation of the drawings]

[0012] [Figure 1] 1 is a block diagram showing a schematic configuration of a composition change prediction system for an inorganic material according to a first embodiment of the present invention. [Figure 2] 1 is a flowchart showing a method for predicting a composition change in an inorganic material according to a first embodiment of the present invention. [Figure 3] FIG. 1 is a block diagram showing a schematic configuration of a composition change prediction system for an inorganic material according to a second embodiment of the present invention. [Figure 4] FIG. 10 is a diagram showing an example of the relationship between elapsed time and the amount of product produced. [Figure 5]10 is a flowchart showing a method for predicting a composition change in an inorganic material according to a second embodiment of the present invention. [Figure 6] FIG. 10 is a block diagram showing a schematic configuration of a composition change prediction system for an inorganic material according to a third embodiment of the present invention. [Figure 7] 10 is a flowchart showing a method for predicting a composition change in an inorganic material according to a third embodiment of the present invention. [Figure 8] FIG. 1 is a block diagram showing a hardware configuration of a system for predicting composition changes in an inorganic material. DETAILED DESCRIPTION OF THE INVENTION

[0013] Hereinafter, embodiments of the present invention will be described in detail. In this specification, unless otherwise specified, the symbol "to" indicating a numerical range means that the numerical values ​​before and after it are included as the lower and upper limits. When a unit is specified for only the upper limit of a numerical range expressed by "to," it means that the lower limit is also expressed in the same unit.

[0014] The composition change prediction system for an inorganic material according to an embodiment of the present invention comprises: a database creation unit that creates a prediction database having prediction data including thermodynamic parameters and energy of a process in which a product is produced from an inorganic material, the prediction data being calculated by theoretical calculation using a production reaction model in which the product is produced from the inorganic material; and a composition change calculation unit that uses the prediction database to perform a reaction simulation of the product and calculates a composition change of the inorganic material; It has.

[0015] In the inorganic material composition change prediction system according to this embodiment, the composition change calculation unit uses the prediction database created by the database creation unit to perform a reaction simulation in which a product is produced from the inorganic material, thereby calculating information about the product, such as the type and amount of the product, and thus it is possible to predict the composition change of the inorganic material based on the information about the product.

[0016] A method for predicting a composition change of an inorganic material according to an embodiment of the present invention includes: a database creation step of creating a prediction database having prediction data including thermodynamic parameters and energy of a process in which a product is produced from an inorganic material, the prediction data being calculated by theoretical calculation using a production reaction model in which the product is produced from the inorganic material; a composition change calculation step of calculating a composition change of the inorganic material by performing a reaction simulation of the product using the prediction database; Includes:

[0017] In the method for predicting composition changes of an inorganic material according to this embodiment, in the composition change calculation step, a reaction simulation in which a product is produced from the inorganic material is performed using the prediction database created in the database creation step, and information about the product, such as the type and amount of the product, can be calculated, and therefore, the composition change of the inorganic material can be predicted based on the information about the product.

[0018] First Embodiment [Inorganic material composition change prediction system] A composition change prediction system for an inorganic material according to a first embodiment of the present invention will be described. FIG. 1 is a block diagram showing a schematic configuration of the composition change prediction system for an inorganic material according to this embodiment. As shown in FIG. 1, the composition change prediction system for an inorganic material 1A includes a database creation unit 11, an input unit 12, a composition change calculation unit 13, an output unit 14, a production reaction model M1, and a prediction database D1. The composition change prediction system for an inorganic material 1A can predict deterioration of the inorganic material by calculating the composition change of the inorganic material based on information about the product, such as the type and amount of product produced from the inorganic material.

[0019] In this embodiment, the inorganic material is a metal, an alloy, an inorganic condensate containing a metal element, cement, clay, etc. Examples of the inorganic condensate include geopolymers.

[0020] Geopolymers are slurries containing a base material (solidifying agent) such as alumina-silica powder and an alkaline irritant. The base material, such as alumina-silica powder, contains silicon and aluminum. The alkaline irritant can be potassium hydroxide, sodium hydroxide, lithium hydroxide, potassium silicate solution, or sodium silicate solution (water glass).

[0021] In this embodiment, the product is a compound formed from some components contained in the inorganic material, and may be, for example, a crystalline phase component formed by the crystallization of some components contained in the inorganic material. When the inorganic condensate is a geopolymer, examples of the product include P-type zeolite containing Ca and P-type zeolite containing Na, which are crystalline components of the geopolymer.

[0022] The production reaction model M1 is a reaction model in which a product is produced from an inorganic material.

[0023] The prediction database D1 includes prediction data created by the database creation unit 11.

[0024] The database creation unit 11 uses the production reaction model M1 to calculate prediction data including element species, chemical component species, reaction formulas, and thermodynamic parameters and energy of the process in which products are produced from inorganic materials as simulation values ​​through theoretical calculations, and creates a prediction database containing the calculated prediction data.

[0025] Examples of theoretical calculations include quantum chemistry calculations, molecular dynamics calculations, and first-principles calculations. Quantum chemistry calculations are a method for calculating molecular properties based on quantum mechanics. Among these, quantum chemistry calculations are preferably used for theoretical calculations. Such theoretical calculations can obtain highly accurate values ​​with small errors from experimental values. Prediction data from each calculation method can be obtained using general theoretical calculation software, such as the quantum chemistry calculation software "Gaussian."

[0026] Examples of thermodynamic parameters of the process in which a product is produced from an inorganic material include a reaction rate constant, an equilibrium constant, and an ionic dissociation constant.

[0027] Examples of the energy involved in the process of producing a product from an inorganic material include activation energy and reaction energy of a chemical reaction.

[0028] The prediction data may include, in addition to the thermodynamic parameters and energy of the process in which a product is produced from an inorganic material, parameters derived from components of the amorphous phase, parameters of components other than the components of the amorphous phase, and the like.

[0029] The input unit 12 inputs environmental parameters input from the outside to the composition change calculation unit 13 .

[0030] Examples of environmental parameters include the reaction period, the temperature of the reaction system, the pH of the entire system, and the initial concentration of elements of the inorganic materials involved in the reaction.

[0031] The composition change calculation unit 13 calculates information about the product, such as the type and amount of the product, by performing a reaction simulation of the product using the prediction database D1 and the environmental parameters input from the input unit 12. The composition change calculation unit 13 calculates the composition change of the inorganic material based on the calculated information about the product.

[0032] The information about the product may include the type, amount, and rate of production of the product, as well as the composition of the product.

[0033] The composition change of the inorganic material refers to the composition ratio of the components contained in the inorganic material, the type of product, the amount of the product produced, and the ratio of the amount of each type of product to the amount of all products produced (amount of each type of product produced / total amount of products produced), etc. The composition change of the inorganic material may be any one of these, or two or more. The type of product refers to the type of element and molecule of the product, the composition ratio of the product, etc.

[0034] The composition change calculation unit 13 performs a reaction simulation of the product using general reaction engineering simulation software such as COMSOL Multiphysics (registered trademark), and can find the composition change of the inorganic material.

[0035] The output unit 14 outputs the composition change of the inorganic material calculated by the composition change calculation unit 13 by displaying it on a monitor or the like.

[0036] The inorganic material composition change prediction system 1A includes a database creation unit 11, an input unit 12, a composition change calculation unit 13, a production reaction model M1, and a prediction database D1. The database creation unit 11 creates the prediction database D1 including prediction data calculated by theoretical calculation using the production reaction model M1, and the composition change calculation unit 13 uses the created prediction database D1 to perform a reaction simulation in which a product is produced from the inorganic material and calculates information about the product, thereby being able to calculate the composition change of the inorganic material.

[0037] The composition change of an inorganic material calculated by the inorganic material composition change prediction system 1A tends to correlate with the lifespan (long-term soundness) of the inorganic material, and the greater the amount of product produced in the inorganic material and the greater the rate of composition change, the more the inorganic material deteriorates and the shorter the lifespan of the inorganic material tends to be. Therefore, the inorganic material composition change prediction system 1A can be used to predict the lifespan of an inorganic material.

[0038] Furthermore, the inorganic material composition change prediction system 1A does not require the time-consuming and labor-intensive acquisition of a huge number of measurement values ​​by conducting model experiments or accelerated tests on the deterioration of the inorganic material, and can accurately calculate the composition change of the inorganic material in a short time even under complex conditions in which various parameters, which are external factors, fluctuate, such as the temperature of the inorganic material and the pH of the solution with which the inorganic material comes into contact. Therefore, the inorganic material composition change prediction system 1A can reduce the cost and time required to calculate the composition change of the inorganic material, and therefore can easily predict the lifespan of the inorganic material at low cost.

[0039] Furthermore, when performing model experiments or accelerated tests on the degradation of inorganic materials to obtain a large number of measured values, the measurements are highly susceptible to fluctuations in conditions, making it extremely difficult to actually obtain accurate measured values. Furthermore, even if attempts are made to adjust the experimental results so as to reproduce them by fitting, it is difficult to accurately control the experimental conditions, making it difficult to obtain accurate measured values. The inorganic material composition change prediction system 1A can accurately calculate the composition change of an inorganic material in a short time without requiring time and effort. Therefore, the inorganic material composition change prediction system 1A can reduce the cost and time required to calculate the composition change of an inorganic material, thereby enabling the lifespan of an inorganic material to be predicted at low cost.

[0040] [Method for predicting composition changes in inorganic materials] Next, a method for predicting a change in composition of an inorganic material according to this embodiment will be described. The method for predicting a change in composition of an inorganic material according to this embodiment can be performed using the above-described system 1A for predicting a change in composition of an inorganic material. Therefore, in each step, some of the contents already explained in the above-described system 1A for predicting a change in composition of an inorganic material will be omitted.

[0041] Fig. 2 is a flowchart showing a method for predicting a change in composition of an inorganic material according to this embodiment. As shown in Fig. 2, in the method for predicting a change in composition of an inorganic material according to this embodiment, a production reaction model M1 is used in a database creation unit 11 to calculate, by theoretical calculation, prediction data including thermodynamic parameters and energy of a process in which a product is produced from an inorganic material as simulation values, and a prediction database containing the calculated prediction data is created (database creation step: step S11).

[0042] Next, the input unit 12 inputs the environmental parameters input from the outside into the composition change calculation unit 13 (input step: step S12).

[0043] Next, the composition change calculation unit 13 performs a reaction simulation of the product using the prediction database D1 and the environmental parameters input from outside in the input step S12, and calculates the composition change of the inorganic material (composition change calculation step: step S13).

[0044] Next, the output unit 14 outputs the composition change of the inorganic material calculated by the composition change calculation unit 13, for example by displaying it on a monitor (output step: step S14).

[0045] The method for predicting a composition change of an inorganic material according to this embodiment includes a database creation step S11 and a composition change calculation step S13. The database creation step S11 creates a prediction database including prediction data calculated by theoretical calculation using a production reaction model M1, and the composition change calculation step S13 uses the prediction database created in the database creation step S11 to perform a reaction simulation in which a product is produced from the inorganic material, and calculates the type and amount of the product, thereby calculating the composition change of the inorganic material.

[0046] The composition change of an inorganic material calculated by the method for predicting a composition change of an inorganic material according to this embodiment tends to correlate with the life of the inorganic material, and therefore the method for predicting a composition change of an inorganic material according to this embodiment can be used to predict the life of the inorganic material.

[0047] As described above, the inorganic material composition change prediction system 1A can be used to predict the lifespan of inorganic materials, and therefore can be suitably used to predict the physical properties and lifespan of various facilities installed in plant systems, heat storage materials, building materials, components used in internal combustion engines, etc. Examples of plant systems include, but are not limited to, nuclear power plants, such as nuclear power plants and reprocessing facilities, geothermal power plants, oil refineries, thermal power plants, and various chemical plants. Examples of nuclear power plants include radioactive waste disposal containers used to contain and seal radioactive waste generated at nuclear facilities and dispose of it underground.

[0048] <Second embodiment> [Inorganic material composition change prediction system] A composition change prediction system for inorganic materials according to a second embodiment of the present invention will now be described. FIG. 3 is a block diagram showing a schematic configuration of the composition change prediction system for inorganic materials according to this embodiment. As shown in FIG. 3, the composition change prediction system for inorganic materials 1B includes a generation curve creation unit 21 in the composition change prediction system for inorganic materials 1A according to the first embodiment shown in FIG. 1. That is, the composition change prediction system for inorganic materials 1B includes a database creation unit 11, an input unit 12, a composition change calculation unit 13, an output unit 14, a generation curve creation unit 21, a generation reaction model M1, and a prediction database D1. Note that the database creation unit 11 and the input unit 12 are the same as those in the first embodiment described above, and therefore details thereof will be omitted.

[0049] The production curve creation unit 21 performs a reaction simulation of the product using the prediction database D1 and the environmental parameters input from the input unit 12, and calculates information about the product, such as the type and amount of the product. The production curve creation unit 21 creates a production curve of the product based on the calculated information about the product.

[0050] An example of a product production curve is shown in Figure 4. In Figure 4, the product production curve shows the relationship between the elapsed time and the amount of product produced, and shows the case where the inorganic material is a geopolymer and the product is P-type zeolite containing Na, which is a crystalline component of the geopolymer. As shown in Figure 4, P-type zeolite containing Na as a crystalline component is produced from the geopolymer over time, and it can be seen that the amount of crystalline component produced increases with time.

[0051] The composition change calculation unit 13 calculates the composition change of the inorganic material based on the product production curve created by the production curve creation unit 21.

[0052] For example, as shown in Figure 4, the amount of P-type zeolite, which contains Na as a crystalline component and is produced from geopolymer, an inorganic material, increases over time, indicating that the composition of the geopolymer is changing, and the change in the geopolymer composition can be calculated.

[0053] The output unit 14 outputs the production curve of the product created by the production curve creation unit 21 and the composition change of the inorganic material calculated by the composition change calculation unit 13 by displaying them on a monitor, for example.

[0054] The inorganic material composition change prediction system 1B is the inorganic material composition change prediction system 1A shown in Figure 1, which has a production curve creation unit 21, and by creating a product production curve in the production curve creation unit 21, the composition change of the inorganic material can be easily calculated in the composition change calculation unit 13.

[0055] Since the composition changes of inorganic materials calculated by the inorganic material composition change prediction system 1B tend to correlate with the lifespan of the inorganic material, the inorganic material composition change prediction system 1B can more easily predict the lifespan of the inorganic material.

[0056] [Method for predicting composition changes in inorganic materials] Next, a method for predicting a change in composition of an inorganic material according to this embodiment will be described. The method for predicting a change in composition of an inorganic material according to this embodiment can be performed using the above-mentioned system 1B for predicting a change in composition of an inorganic material. FIG. 5 is a flowchart showing the method for predicting a change in composition of an inorganic material according to this embodiment. Note that the database creation step S21 and the input step S22 shown in FIG. 5 are the same as the database creation step S11 and the input step S12 of the method for predicting a change in composition of an inorganic material according to the first embodiment of the present invention shown in FIG. 2, and therefore details thereof will be omitted.

[0057] As shown in Figure 5, in the method for predicting composition changes in inorganic materials according to this embodiment, the production curve creation unit 21 creates a production curve for the product by performing a reaction simulation of the product using the prediction database D1 and environmental parameters input from outside in the input process S22 (production curve creation process: step S23).

[0058] Next, the composition change calculation unit 13 calculates the composition change of the inorganic material based on the product production curve created in the production curve creation step S23 (composition change calculation step: step S24).

[0059] Next, the output unit 14 outputs the product generation curve created in the composition change calculation step S24 and the composition change of the inorganic material calculated in the composition change calculation step S24, for example by displaying them on a monitor (output step: step S25).

[0060] The method for predicting composition changes in inorganic materials according to this embodiment includes a database creation step S21, a production curve creation step S23, and a composition change calculation step S24. In the production curve creation step S23, a product production curve is created using a prediction database D1 and environmental parameters, and in the composition change calculation step S24, the composition change of the inorganic material can be easily calculated by using the created product production curve.

[0061] The composition change of an inorganic material calculated by the method for predicting composition change of an inorganic material according to this embodiment tends to correlate with the lifespan of the inorganic material, and therefore, by using the method for predicting composition change of an inorganic material according to this embodiment, it is possible to more easily predict the lifespan of an inorganic material.

[0062] <Third embodiment> [Inorganic material composition change prediction system] A composition change prediction system for inorganic materials according to a third embodiment of the present invention will now be described. FIG. 6 is a block diagram showing a schematic configuration of the composition change prediction system for inorganic materials according to this embodiment. As shown in FIG. 6, the composition change prediction system for inorganic materials 1C includes an acquisition unit 31 in the composition change prediction system for inorganic materials 1A according to the first embodiment shown in FIG. 1. That is, the composition change prediction system for inorganic materials 1C includes a database creation unit 11, an acquisition unit 31, an input unit 12, a composition change calculation unit 13, an output unit 14, a production reaction model M1, and a prediction database D1. Note that the database creation unit 11, the input unit 12, the composition change calculation unit 13, and the output unit 14 are the same as those in the first embodiment, and therefore details thereof will be omitted.

[0063] The acquisition unit 31 acquires values ​​including at least one of literature values ​​and measured values ​​that can be used as prediction data from the outside. The acquisition unit 31 adds the acquired values ​​to the prediction data created by the database creation unit 11. As a result, the values ​​acquired by the acquisition unit 31 are used as prediction data. In other words, the acquisition unit 31 acquires literature values ​​or measured values ​​that can be used as prediction data and are contained in externally available information sources such as publicly known literature and databases, and includes them in the prediction data created by the database creation unit 11.

[0064] The prediction database D1 stores prediction data including the values ​​acquired by the acquisition unit 31. That is, the prediction database D1 stores additional prediction data including the values ​​acquired by the acquisition unit 31 in addition to the prediction data created by the database creation unit 11.

[0065] The composition change calculation unit 13 calculates information about the product, such as the type and amount of the product, by performing a reaction simulation of the product using a prediction database D1 having prediction data (also referred to as additional prediction data) including values ​​including at least one of literature values ​​and measured values ​​that can be used as prediction data acquired by the acquisition unit 31, and environmental parameters input from the outside by the input unit 12. That is, the composition change calculation unit 13 calculates a composition change of the inorganic material by performing a reaction simulation of the product using a prediction database D1 having additional prediction data including values ​​acquired by the acquisition unit 31 in addition to the prediction data created by the database creation unit 11, and environmental parameters input from the input unit 12.

[0066] The inorganic material composition change prediction system 1C is the inorganic material composition change prediction system 1A shown in Figure 1, and by having an acquisition unit 31, the composition change calculation unit 13 can calculate the composition change of the inorganic material, including data that can be used as external prediction data.

[0067] Since the composition changes of inorganic materials calculated by the inorganic material composition change prediction system 1C tend to correlate with the lifespan of the inorganic material, the inorganic material composition change prediction system 1C can predict the lifespan of the inorganic material while also taking into account data that can be used as external prediction data.

[0068] [Method for predicting composition changes in inorganic materials] Next, a method for predicting a change in composition of an inorganic material according to this embodiment will be described. The method for predicting a change in composition of an inorganic material according to this embodiment can be performed using the above-described system 1C for predicting a change in composition of an inorganic material. FIG. 7 is a flowchart showing the method for predicting a change in composition of an inorganic material according to this embodiment. Note that the database creation step S31, input step S33, and output step S35 shown in FIG. 7 are the same as the database creation step S11, input step S12, and output step S14 of the method for predicting a change in composition of an inorganic material according to the first embodiment of the present invention shown in FIG. 2, and therefore details thereof will be omitted.

[0069] As shown in FIG. 7, in the method for predicting composition changes in inorganic materials according to this embodiment, the acquisition unit 31 acquires values ​​including at least one of literature values ​​and measured values ​​that can be used as prediction data from the outside, and adds these values ​​to the prediction data created in the database creation step S31 (prediction data addition step: step S32).

[0070] Next, the input unit 12 inputs the externally input environmental parameters to the composition change calculation unit 13 (input step: step S33). Thereafter, the composition change calculation unit 13 performs a reaction simulation of the product using a prediction database D1 having prediction data (also referred to as additional prediction data) including values ​​including at least one of literature values ​​and measured values ​​that can be used as prediction data obtained in the prediction data addition step S32, and the externally input environmental parameters in the input step S33, and calculates the composition change of the inorganic material (composition change calculation step: step S34). Thereafter, the output unit 14 outputs the composition change of the inorganic material calculated by the composition change calculation unit 13, for example by displaying it on a monitor (output step: step S35).

[0071] The method for predicting a change in composition of an inorganic material according to this embodiment includes a database creation step S31, a prediction data addition step S32, and a composition change calculation step S34. In the prediction data addition step S32, values ​​including at least one of literature values ​​and measured values ​​that can be used as prediction data obtained from outside are included in the prediction data to create a prediction database. As a result, the method for predicting a change in composition of an inorganic material according to this embodiment can calculate a composition change of the inorganic material in the composition change calculation step S34, including data that can be used as external prediction data.

[0072] The composition change of an inorganic material calculated by the method for predicting composition change of an inorganic material according to this embodiment tends to correlate with the lifespan of the inorganic material. Therefore, by using the method for predicting composition change of an inorganic material according to this embodiment, the lifespan of the inorganic material can be predicted taking into account data that can be used as external prediction data.

[0073] <Hardware configuration of the inorganic material composition change prediction system> An example of the hardware configuration of the inorganic material composition change prediction systems 1A to 1C will be described. FIG. 8 is a block diagram showing the hardware configuration of the inorganic material composition change prediction systems 1A to 1C. As shown in FIG. 8, the inorganic material composition change prediction systems 1A to 1C are configured as an information processing device (computer), and can be physically configured as a computer system including a processor 101 as an arithmetic processing unit, a memory 102, an input device 103 as an input device, an output device 104, a communication module 105, and an auxiliary storage device 106 such as a hard disk. These are connected to each other by a bus 107. Note that the output device 104 and the auxiliary storage device 106 may be provided externally.

[0074] The processor 101 controls the overall operation of the inorganic material composition change prediction systems 1A to 1C and performs various information processing. The processor 101 can predict a composition change of the inorganic material by executing, for example, a method for predicting a composition change of an inorganic material, or a program for predicting a composition change of an inorganic material, which are stored in the memory 102 or the auxiliary storage device 106. For example, a CPU (Central Processing Unit) or the like is used as the processor 101.

[0075] The memory 102 includes a RAM (Random Access Memory) and a ROM (Read Only Memory) that are main storage devices, and may store a program for predicting changes in the composition of inorganic materials.

[0076] The RAM may be used as a work area for the processor 101 and may include non-volatile RAM for storing key control parameters and information.

[0077] The ROM stores a basic input / output program, etc. The composition change prediction program for inorganic materials may be stored in the ROM.

[0078] The input device 103 is an input device such as a keyboard, a mouse, operation buttons, a touch panel, or a display screen, and receives information input by a user as an instruction signal, and outputs the instruction signal to the processor 101 .

[0079] The output device 104 is a display device such as a monitor display, a speaker, a printing device such as a printer, etc. In the output device 104, for example, information such as the learning results and the predicted results of the oil film density are displayed on a display device such as a monitor display, and the displayed screen is updated in response to input operations via the input device 103 or the communication module 105.

[0080] The communication module 105 is a data transmission / reception device such as a network card, and functions as a communication interface that receives information from an external data recording server or the like and outputs analysis information to other electronic devices.

[0081] The auxiliary storage device 106 is a storage device such as an SSD (Solid State Drive) or an HDD (Hard Disk Drive), and stores, for example, various data, files, etc. required for the operation of the inorganic material composition change prediction systems 1A to 1C.

[0082] Each function of the inorganic material composition change prediction systems 1A to 1C is realized by reading predetermined computer software (including a composition change prediction program for inorganic materials) from the memory 102 or the auxiliary storage device 106 and executing it with the processor 101, thereby reading and writing data in the memory 102, the auxiliary storage device 106, etc., and operating the input device 103, the output device 104, and the communication module 105.

[0083] Therefore, each part of the inorganic material composition change prediction systems 1A to 1C shown in Figures 1, 3 and 6 is realized by software and hardware working together in a computer equipped with the inorganic material composition change prediction systems 1A to 1C, when a processor 101 executes predetermined computer software (including a program for predicting composition change in inorganic materials) that is pre-stored.

[0084] A computer program implementing at least some of the functions of each unit of the inorganic material composition change prediction systems 1A to 1C shown in Figures 1, 3, and 6 may be installed in the storage of one or more computers. The processor 101 of one or more computers may load the installed computer program into a main memory and execute it to fulfill the functions of each unit of the inorganic material composition change prediction systems 1A to 1C shown in Figures 1, 3, and 6.

[0085] The inorganic material composition change prediction systems 1A to 1C shown in Figures 1, 3, and 6 may be realized by one or more processors 101. Here, the processor 101 may refer to one or more electronic circuits arranged on one chip, or to one or more electronic circuits arranged on two or more chips or two or more devices. When multiple electronic circuits are used, the respective electronic circuits may communicate with each other by wire or wirelessly.

[0086] Furthermore, the functions of each unit of the inorganic material composition change prediction systems 1A to 1C shown in Figures 1, 3, and 6 may be executed by a single computer, or may be executed in a distributed manner by multiple computers. When the functions of each unit of the inorganic material composition change prediction systems 1A to 1C shown in Figures 1, 3, and 6 are executed in a distributed manner by multiple computers, the multiple computers may transmit and receive data via a communication network including a LAN (Local Area Network), a WAN (Wide Area Network), a PAN (Personal Area Network), or the Internet.

[0087] The inorganic material composition change prediction program can be stored, for example, in the memory 102 or auxiliary storage device 106 of the computer. Alternatively, the inorganic material composition change prediction program may be stored on a computer connected to a communication line such as the Internet, and part or all of the inorganic material composition change prediction program may be provided by being downloaded via the communication line. Furthermore, the inorganic material composition change prediction program may be configured to be provided or distributed via the communication line.

[0088] The inorganic material composition change prediction program may be recorded (including installed) into a computer from a state in which part or all of it is stored on a portable storage medium such as an optical disk such as a CD-ROM or DVD-ROM, or a semiconductor memory such as a flash memory.

[0089] Although the embodiments have been described above, they are presented as examples and the present invention is not limited to the above embodiments. The above embodiments can be implemented in various other forms, and various combinations, omissions, substitutions, modifications, etc. can be made without departing from the spirit of the invention. The above embodiments and their modifications are included within the scope and spirit of the invention, and are also included in the inventions and their equivalents as set forth in the claims.

[0090] The embodiments of the present invention are as follows, for example. <1> a database creation unit that creates a prediction database having prediction data including thermodynamic parameters and energy of a process in which a product is produced from an inorganic material, the prediction data being calculated by theoretical calculation using a production reaction model in which the product is produced from the inorganic material; and a composition change calculation unit that uses the prediction database to perform a reaction simulation of the product and calculates a composition change of the inorganic material; A system for predicting changes in the composition of an inorganic material. <2> a production curve creation unit that uses the prediction database to perform a reaction simulation of the product and create a production curve of the product; <1> The composition change prediction system for an inorganic material according to claim 1. <3> an acquisition unit that acquires values ​​including at least one of literature values ​​and measured values ​​that can be used as the prediction data from an external source; The value is used as the prediction data. <1> or <2> The composition change prediction system for an inorganic material according to claim 1. <4> The composition change includes any one of the type of the product, the amount of the product produced, and the ratio of the amount of each type of product produced to the amount of all the products produced. <1> ~ <3> 10. A system for predicting changes in composition of an inorganic material according to any one of the above. <5> The inorganic material is an inorganic condensate containing a metal element. <1> ~ <4> 10. A system for predicting changes in composition of an inorganic material according to any one of the above. <6> The product is a crystalline phase component. <1> ~ <5> 10. A system for predicting changes in composition of an inorganic material according to any one of the above. <7> The inorganic condensate is a geopolymer, The product is a P-type zeolite containing Na. <5> A system for predicting composition changes in inorganic materials described herein. <8> a database creation step of creating a prediction database having prediction data including thermodynamic parameters and energy of a process in which a product is produced from an inorganic material, the prediction data being calculated by theoretical calculation using a production reaction model in which the product is produced from the inorganic material; a composition change calculation step of calculating a composition change of the inorganic material by performing a reaction simulation of the product using the prediction database; A method for predicting a change in composition of an inorganic material, comprising: [Explanation of symbols]

[0091] 1A, 1B, 1C Prediction system for composition changes in inorganic materials 11 Database Creation Department 12 Input section 13 Composition change calculation section 14 Output section 21 Generation curve creation section 31 Acquisition Department M1 production reaction model D1 Prediction Database

Claims

1. a database creation unit that creates a prediction database having prediction data including thermodynamic parameters and energy of a process in which a product is produced from an inorganic material, the prediction data being calculated by theoretical calculation using a production reaction model in which the product is produced from the inorganic material; and a composition change calculation unit that uses the prediction database to perform a reaction simulation of the product and calculates a composition change of the inorganic material; A system for predicting changes in the composition of an inorganic material.

2. 2. The system for predicting a change in composition of an inorganic material according to claim 1, further comprising a production curve creation unit that uses the prediction database to perform a reaction simulation of the product and create a production curve of the product.

3. an acquisition unit that acquires values ​​including at least one of literature values ​​and measured values ​​that can be used as the prediction data from an external source; The system for predicting a change in composition of an inorganic material according to claim 1 , wherein the value is used as the prediction data.

4. 3. The system for predicting a change in composition of an inorganic material according to claim 1, wherein the change in composition includes any one of the type of product, the amount of the product produced, and the ratio of the amount of each type of product produced to the amount of all the products produced.

5. The system for predicting a change in composition of an inorganic material according to claim 1 or 2, wherein the inorganic material is an inorganic condensate containing a metal element.

6. The system for predicting a change in composition of an inorganic material according to claim 1 or 2, wherein the product is a crystalline phase component.

7. The inorganic condensate is a geopolymer, The system for predicting changes in the composition of an inorganic material according to claim 5 , wherein the product is P-type zeolite containing Na.

8. a database creation step of creating a prediction database having prediction data including thermodynamic parameters and energy of a process in which a product is produced from an inorganic material, the prediction data being calculated by theoretical calculation using a production reaction model in which the product is produced from the inorganic material; a composition change calculation step of calculating a composition change of the inorganic material by performing a reaction simulation of the product using the prediction database; A method for predicting a change in composition of an inorganic material, comprising:

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