DESIGN SUPPORT DEVICE, DESIGN SUPPORT METHOD, AND PROGRAM

A design support device supports design of a first compound and design of a second compound containing the first compound, and the design support device includes a first design condition proposing unit configured to propose a candidate for design condition information for the first compound that satisfies required property information for the first compound that is input; and a first property predicting unit configured to perform property prediction of the second compound based on design condition information for the second compound that is input.

TECHNICAL FIELD

The present disclosure relates to a design support device, a design support method, and a program.

BACKGROUND

A system that acquires composition data and property data of a photosensitive resin composition and performs a learning process on a model that outputs recommended composition data in response to target property data being input, by using training data including the acquired composition data and property data is conventionally known, for example. In a conventional system, in response to target property data being input into a model, a recommended composition for producing a photosensitive resin composition having the target property is output (see, for example, Patent Document 1).

RELATED ART DOCUMENT

Patent Document

SUMMARY

Problem to be Solved by the Invention

It is convenient for a design support device that supports design of a resin composition (a second compound) containing a polymer (a first compound) to have a technique suitable for adjusting the property of the polymer to control the property of the resin composition, for example. Here, Patent Document 1 does not describe such contents.

An object of the present disclosure is to provide a design support device, a design support method, and a program suitable for designing a first compound and designing a second compound containing the first compound.

Means for Solving Problem

The present disclosure includes the following configurations.

[1] A design support device that supports design of a first compound and design of a second compound containing the first compound, the design support device including:a first design condition proposing unit configured to propose a candidate for design condition information for the first compound that satisfies required property information for the first compound that is input; anda first property predicting unit configured to perform property prediction of the second compound based on design condition information for the second compound that is input.

[2] The design support device described in [1], further comprising:a second design condition proposing unit configured to propose a candidate for design condition information for the second compound that satisfies required property information for the second compound that is input;a second property predicting unit configured to perform property prediction of the first compound based on design condition information for the first compound that is input; anda control unit configured to support design of the first compound by using the first design condition proposing unit or the second property predicting unit, and support design of the second compound by using the second design condition proposing unit or the first property predicting unit.

[3] A design support device that supports design of a first compound and design of a second compound containing the first compound, the design support device including:a second property predicting unit configured to perform property prediction of the first compound based on design condition information for the first compound that is input; anda second design condition proposing unit configured to propose a candidate for design condition information for the second compound that satisfies required property information for the second compound that is input.

[4] The design support device described in [3], further including:a first design condition proposing unit configured to propose a candidate for design condition information for the first compound that satisfies required property information for the first compound that is input;a first property predicting unit configured to perform property prediction of the second compound based on design condition information for the second compound that is input; anda control unit configured to support design of the first compound by using the first design condition proposing unit or the second property predicting unit, and support design of the second compound by using the second design condition proposing unit or the first property predicting unit.

[5] The design support device described in [2] or [4], wherein the control unit is configured to perform the property prediction of the first compound based on the design condition information for the first compound by using the second property predicting unit, and perform the property prediction of the second compound based on the design condition information for the second compound containing the first compound of which the property prediction is performed, by using the first property predicting unit.

[6] The design support device described in [2] or [4], wherein the control unit is configured to propose the candidate for the design condition information for the first compound that satisfies the required property information for the first compound by using the first design condition proposing unit, and perform the property prediction of the second compound based on the design condition information for the second compound containing the first compound of the candidate for the design condition information by using the first property predicting unit.

[7] The design support device described in [2] or [4], wherein the control unit is configured to perform the property prediction of the first compound based on the design condition information for the first compound by using the second property predicting unit, and propose the candidate for the design condition information for the second compound that satisfies the required property information for the second compound containing the first compound of which the property prediction is performed, by using the second design condition proposing unit.

[8] The design support device described in [2] or [4], wherein the control unit is configured to propose the candidate for the design condition information for the first compound that satisfies the required property information for the first compound by using the first design condition proposing unit, and propose the candidate for the design condition information for the second compound that satisfies the required property information for the second compound containing the first compound of the candidate for the design condition information by using the second design condition proposing unit.

[9] The design support device described in [8], wherein the second design condition proposing unit is configured to propose a candidate for a property of the first compound that satisfies the required property information for the second compound.

[10] The design support device described in any one of [2], [4], [5], and [7], the design support device further including:a storage unit configured to store a result of the property prediction of the first compound performed by the second property predicting unit based on the design condition information for the first compound,wherein the first property predicting unit is configured to use the design condition information for the first compound and the result of the property prediction of the first compound that are read from the storage unit for input of the design condition information for the second compound and for the property prediction of the second compound.

[11] The design support device described in any one of claims [2] to [10], wherein the first design condition proposing unit and the second design condition proposing unit are configured to receive the required property information and range information on the design condition information as inputs, and propose the candidate for the design condition information for the first compound or the second compound that satisfies the required property information for the first compound or the second compound within a range of the range information that is input.

[12] The design support device described in [11], wherein the first design condition proposing unit and the second design condition proposing unit are configured to generate an exhaustive search point within the range of the range information that is input and propose the candidate for the design condition information for the first compound or the second compound that satisfies the required property information for the first compound or the second compound based on a result of the property prediction of the first compound or the second compound performed using the exhaustive search point.

[13] The design support device described in any one of [1] to [12], wherein the first compound is a polymer polymerized from monomers, and the second compound is a resin composition containing the polymer.

[14] A design support method of a computer supporting design of a first compound and design of a second compound containing the first compound, the design support method including:a design condition proposing step of proposing a candidate for design condition information for the first compound that satisfies required property information for the first compound that is input; anda property predicting step of performing property prediction of the second compound based on design condition information for the second compound that is input.

[15] A program for causing a computer configured to support design of a first compound and design of a second compound containing the first compound to execute:a design condition proposing procedure of proposing a candidate for design condition information for the first compound that satisfies required property information for the first compound that is input; anda property predicting procedure of performing property prediction of the second compound based on design condition information for the second compound that is input.

Effect of the Invention

According to the present disclosure, a design support device, a design support method, and a program suitable for designing a first compound and designing a second compound containing the first compound can be provided.

DESCRIPTION OF EMBODIMENTS

Next, embodiments of the present invention will be described in detail. Here, the present invention is not limited to the following embodiments. In the present embodiment, a polymer and a resin composition containing the polymer will be described as an example of a first compound and a second compound containing the first compound.

First Embodiment

System Configuration

FIG.1is a configuration diagram of an example of an information processing system according to the present embodiment. The information processing system ofFIG.1includes a design support device10and a user terminal12. The design support device10and the user terminal12are connected to each other via a communication network18such as a local area network (LAN) or the Internet so that data communication can be performed.

The user terminal12is an information processing terminal operated by an operator, such as a PC, a tablet terminal, or a smartphone. The user terminal12displays a screen for receiving an input of information from the operator on a display device and receives an input of the information from the operator. Additionally, the user terminal12transmits the information received from the operator to the design support device10, and causes the design support device10to perform processing related to the design of the polymer and the resin composition and the prediction of the property. The user terminal12receives information on a result of the processing performed by the design support device10, displays the information on the display device to allow the operator to confirm the information.

The design support device10is an information processing device, such as a PC, that supports design of a polymer and a resin composition. The design support device10performs processing of an inverse problem analysis for proposing a candidate for a design condition that satisfies required properties and processing of a forward problem analysis for performing property prediction based on the design condition. The design support device10supports the design of the polymer and the resin composition by combining the design of the polymer and the resin composition by the inverse problem analysis (search and optimization) and the property prediction of the polymer and the resin composition by the forward problem analysis.

As the combinations of the design supports, specifically, a combination of a polymer design by the inverse problem analysis and a property prediction of a resin composition by the forward problem analysis, a combination of a polymer design by the forward problem analysis and a resin composition design by the inverse problem analysis, a combination of a polymer design by the forward problem analysis and a property prediction of a resin composition by the forward problem analysis, or a combination of a polymer design by the inverse problem analysis and a resin composition design by the inverse problem analysis can be used.

For example, the design support device10is effective when searching and optimizing (the inverse problem analysis) a design condition of a polymer when synthesizing the polymer from monomers, and then evaluating (the forward problem analysis) a property of a resin composition in which a polymerization initiator, a sensitizer, an adhesion agent, a plasticizer, and the like are mixed with the synthesized polymer.

In the forward problem analysis that performs the property prediction based on the design condition, a mathematical model, such as a machine learning model that has learned a correspondence relationship between the design condition and the property, can be used. As the machine learning method, for example, a supervised learning method such as linear, generalized linear (Lasso, ridge, elastic net, logistic), partial least squares, kernel ridge, a Gaussian process, a k-nearest neighbor method, a decision tree, random forest, AdaBoost, bagging, gradient boosting, a support vector machine, or a neural network may be used.

In the inverse problem analysis for proposing a candidate for a design condition that satisfies required properties, the required properties and a range of the design condition are input, and exhaustive search points are generated at random or with predetermined step sizes in the range of the design condition. Additionally, in the inverse problem analysis for proposing a candidate for the design condition that satisfies the required properties, properties corresponding to each exhaustive search point are predicted by a mathematical model, and an exhaustive search point having properties that satisfy the required properties is extracted to obtain the candidate for the design condition that satisfies the desired required properties.

The inverse problem analysis for proposing the candidate for the design condition that satisfies the required properties may use an optimization method, such as a genetic algorithm, a simulated annealing method, a cluster algorithm, or an extended ensemble method (for example, a multi-canonical method, a simulated tempering method, a replica exchange Monte Carlo method (parallel tempering method), or the like).

When the property prediction of the polymer and the resin composition is performed by the mathematical model, the mixing amount of each material may be input as an explanatory variable, or information that does not directly indicate a physicochemical property, for example, the brands of the polymer and the resin composition may be described by a dummy variable represented by “0” and “1”, and may be used as an explanatory variable. Additionally, when the property prediction of the polymer and the resin composition is performed by the mathematical model, explanatory variables may be created and input based on information obtained by quantifying a structural characteristic of a molecule being a material or information obtained by quantifying a chemical characteristic of the molecule, and the mixing amount thereof.

As an example of a method of quantifying a structural characteristic of a molecule, Extended Circular Fingerprints (hereinafter referred to as ECFP) is used. The ECFP is a method of extracting the types and numbers of all partial structures and expressing them as vectors (column: the type, value: the number) to quantify a structural characteristic of a molecule.

The partial structure can be expressed by a notation method such as Simplified Molecular Input Line Entry System (hereinafter referred to as SMILES) notation. The ECFP can calculate the structural characteristic of the molecule, for example, by inputting information on an additive represented by the SMILES notation into an existing library. Additionally, another example of a method of quantifying the structural characteristic of the molecule is a graph convolution neural network. The graph convolutional neural network can calculate structural characteristic of the molecule, for example, by inputting information on an additive represented by the SMILES notation into an existing library.

Additionally, for example, as an example of a method of quantifying a chemical characteristic of a molecule, a method of extracting physical property information of the molecule, and representing it as a vector (column: the physical property information, value: a numerical number) to quantify the chemical characteristic of the molecule is used. A method of quantifying the chemical characteristic of the molecule can calculate the chemical characteristic of the molecule, for example, by inputting information on an additive represented by the SMILES notation into an existing library.

The physical property information of a molecule is, for example, the molecular weight, the number of valence electrons, the partial charge, the number of amino groups, the number of hydroxyl groups, and the like. Additionally, the physical property information of a molecule may be a physical property value that can be calculated by quantum chemical calculation software, such as HOMO, LUMO, the electric charge, the refractive index, or the frequency, or a physical property value that can be measured by an experiment, such as melting point, viscosity, or specific surface area.

The design support device10receives the information input to the user terminal12by the operator, and performs the processing related to the design and the property prediction of a polymer and a resin composition. The design support device10transmits the information on a result of the processing to the user terminal12, displays the result on the user terminal12, and allows the operator to confirm the result. The information processing system illustrated inFIG.1may be realized by, for example, the design support device10having a web server function and the user terminal12that executes a web application by using a web browser function.

Here, the information processing system ofFIG.1is an example, and it is needless to say that there are various system configuration examples according to applications and purposes. For example, the design support device10may be realized by multiple computers, or may be realized as a cloud computing service. Additionally, the information processing system ofFIG.1may be realized by a stand-alone computer.

Hardware Configuration

The design support device10and the user terminal12ofFIG.1are realized by, for example, a computer500having a hardware configuration illustrated inFIG.2.

FIG.2is a hardware configuration diagram of an example of a computer according to the present embodiment. The computer500ofFIG.2includes an input device501, a display device502, an external I/F503, a RAM504, a ROM505, a CPU506, a communication I/F507, an HDD508, and the like, which are connected to each other via a bus B. Here, the input device501and the display device502may be configured to be used by being connected.

The input device501is a touch panel, an operation key and a button, a keyboard and a mouse, or the like used by a user to input various signals. The display device502includes a display such as a liquid crystal display or an organic EL display that displays a screen, a speaker that outputs sound data such as voice and sound, and the like. The communication I/F507is an interface for the computer500to perform data communication.

Additionally, the HDD508is an example of a non-volatile storage device that stores programs and data. The stored programs and data include an OS, which is basic software that controls the entirety of the computer500, applications that provide various functions on the OS, and the like. Here, the computer500may use a drive device (for example, a solid state drive (SSD)) using a flash memory as a storage media instead of the HDD508.

The external I/F503is an interface with an external device. The external device includes a recording medium503aand the like. This allows the computer500to read from and/or write to the recording medium503avia the external I/F503. The recording medium503aincludes a flexible disk, a CD, a DVD, an SD memory card, a USB memory, and the like.

The ROM505is an example of a non-volatile semiconductor memory (a storage device) that can retain programs and data when the power is turned off. The ROM505stores programs and data such as a BIOS, which is executed when the computer500is activated, OS settings, network settings, and the like. The RAM504is an example of a volatile semiconductor memory (a storage device) that temporarily stores programs and data.

The CPU506is an arithmetic device that reads the program and data from the storage device such as the ROM505or the HDD508onto the RAM504and executes processing to control the entirety of the computer500and realize functions thereof. The computer500according to the present embodiment can realize various functions of the design support device10and the user terminal12, as will be described later, by executing the program.

Functional Configuration

A functional configuration of the information processing system according to the present embodiment will be described.FIG.3is a functional configuration diagram of an example of the information processing system according to the present embodiment. Here, in the configuration diagram ofFIG.3, portions unnecessary for the description of the present embodiment are omitted as appropriate.FIG.4is an explanatory diagram illustrating an example of polymer synthesis and resin composition generation according to the present embodiment. Additionally,FIGS.5A to5Dare explanatory diagrams illustrating examples of the forward problem analysis and the inverse problem analysis according to the present embodiment.

The information processing system according to the present embodiment supports, for example, polymer synthesis and resin composition generation illustrated inFIG.4. A material of a polymer is, for example, a monomer, a polymerization initiator, a polymerization inhibitor, a solvent used for polymerization, and the like. The design conditions of the polymer include types and mixing amounts of materials, the temperature for treatment such as heat treatment, the treatment time, and the like. Properties of the polymer include the viscosity, the glass transition temperature, the molecular weight, the acid number, and the like. The polymer is synthesized, for example, as illustrated inFIG.4.

The resin composition is generated, for example, as illustrated inFIG.4, by mixing a synthesized polymer with a polymerization initiator, a sensitizer, an adhesion agent, a plasticizer, and the like. The resin composition may be a liquid, gel, or paste resin. Additionally, the resin composition may be a film, a film laminate, a composite material of a film and a metal, or a processed resin product such as a molded product. Additionally, the resin composition may be for metal wiring.

Examples of the material of the resin composition include a polymer, an oligomer, a monomer, a filler, a catalyst, a polymerization initiator, a polymerization inhibitor, a crosslinking agent, a curing agent, a plasticizer, a thickener, a solvent, and the like. Additionally, the material of the resin composition may be an alkali-soluble polymer, an ethylenically unsaturated bond-containing compound, a photopolymerization initiator, a resin having a repeating unit containing an acid-decomposable group, a phenol resin, a photoacid generator, a dissolution inhibitor, a sensitizer, an adhesion agent, or the like. The design conditions of the resin composition include the types and amounts of the materials, the temperature for treatment such as heat treatment, the treatment time, the coating temperature when coating in the form of a film, the coating speed, and the like.

Additionally, the properties of the resin composition include the film thickness, the photosensitivity, the transmittance, the resolution, the developability (the minimum development time, the development rate, the development form, the development residue), the minimum resist line width, the adhesion to a substrate, the developer foaming property, the developer cohesion property, the edge fuse property, the cured film flexibility, the tackiness to a base film, the tackiness to a cover film, the hue stability, the color difference, peeling time, the peeled piece size, the tenting property, the dispersibility, the solvent resistance (e.g., N-methyl-2-pyrrolidone (NMP) resistance), the heat resistance (e.g., a yellowing color difference), and the like.

The properties of the resin composition can be controlled by adjusting the properties of the polymer, such as the viscosity, the glass transition temperature, the molecular weight, and the acid value of the polymer, for example, as illustrated inFIG.4. Additionally, when the property prediction of the resin composition is performed by a mathematical model, one or both of polymer design condition information used when the polymer is synthesized from monomers and polymer property prediction information may be used in addition to the mixing amount of the synthesized polymer and the types and mixing amounts of the polymerization initiator, the sensitizer, the adhesive agent, the plasticizer, and the like to be mixed.

Additionally, for example, as illustrated inFIG.4, in the information processing system according to the present embodiment, even if materials having the same name are used in the polymer synthesis stage and the resin composition preparation stage, the chemical actions and roles of the materials having the same name in the polymer synthesis stage and the resin composition preparation stage can be appropriately distinguished.

The design support device10of the information processing system illustrated inFIG.3includes a request receiving unit20, a response transmitting unit22, a design mode acquiring unit24, a required property acquiring unit26, a design condition acquiring unit28, a control unit30, a polymer design condition proposing unit32, a resin composition design condition proposing unit34, a polymer property predicting unit36, a resin composition property predicting unit38, and a storage unit40. Additionally, the user terminal12includes an information displaying unit50, an operation receiving unit52, a request transmitting unit54, and a response receiving unit56.

The information displaying unit50displays, on the display device502, a screen for receiving input of information from an operator and information such as a result of processing performed by the design support device10. The operation receiving unit52receives an operation of the operator such as an input of information. The request transmitting unit54transmits, to the design support device10, a request for processing corresponding to the input of the information from the operator. Additionally, the response receiving unit56receives, from the design support device10, a response to the request for the processing transmitted by the request transmitting unit54.

The request receiving unit20receives the request for the processing from the user terminal12. The response transmitting unit22responds with a processing result corresponding to the request for the processing. The design mode acquiring unit24acquires information on a design mode, which will be described later, selected by the operator on the user terminal12. The required property acquiring unit26acquires required property information for the polymer and the resin composition. The design condition acquiring unit28acquires design condition information for the polymer and the resin composition. Additionally, the design condition acquiring unit28acquires range information on the design condition information for the polymer and the resin composition.

The polymer design condition proposing unit32is an example of a first design condition proposing unit. As illustrated inFIG.5C, the polymer design condition proposing unit32proposes, by using a mathematical model, a candidate for the polymer design condition information that satisfies the input required property information for the polymer.

The resin composition design condition proposing unit34is an example of a second design condition proposing unit. As illustrated inFIG.5D, the resin composition design condition proposing unit34proposes, by using a mathematical model, a candidate for the resin composition design condition information that satisfies the input required property information for the resin composition.

The polymer property predicting unit36is an example of a second property predicting unit. As illustrated inFIG.5A, the polymer property predicting unit36performs property prediction of the polymer based on the input polymer design condition information by using a mathematical model, and outputs polymer property prediction information.

The resin composition property predicting unit38is an example of a first property predicting unit. As illustrated inFIG.5B, the resin composition property predicting unit38performs property prediction of the resin composition based on the input resin composition design condition information by using a mathematical model, and outputs resin composition property prediction information. The resin composition design condition information includes the polymer design condition information input to the polymer property predicting unit36and the polymer property prediction information output from the polymer property predicting unit36.

Based on the information on the design mode selected by the operator, the control unit30supports the design of the polymer by using the polymer design condition proposing unit32or the polymer property predicting unit36, and supports the design of the resin composition by using the resin composition design condition proposing unit34or the resin composition property predicting unit38. Additionally, the storage unit40stores mathematical models used by the polymer design condition proposing unit32, the resin composition design condition proposing unit34, the polymer property predicting unit36, and the resin composition property predicting unit38. The storage unit40stores the polymer design condition information input to the polymer property predicting unit36and the polymer property prediction information output from the polymer property predicting unit36in association with each other. The storage unit40stores the resin composition design condition information input to the resin composition property predicting unit38and the resin composition property prediction information output from the resin composition property predicting unit38in association with each other. The storage unit40may store the required property information for the polymer input to the polymer design condition proposing unit32and the candidate for the polymer design condition information output from the polymer design condition proposing unit32in association with each other. Additionally, the storage unit40may store the required property information for the resin composition input to the resin composition design condition proposing unit34and the candidate for the resin composition design condition information output from the resin composition design condition proposing unit34in association with each other. Here, the configuration diagram ofFIG.3is an example. The configuration of the information processing system according to the present embodiment can be realized by various configurations.

Processing

The information processing system according to the present embodiment changes the process of supporting the design of the polymer and the design of the resin composition containing the polymer as illustrated in the flowchart ofFIG.6based on the design mode selected by the operator at the user terminal12.

FIG.6is a flowchart illustrating an example of a processing procedure of the information processing system according to the present embodiment.FIG.7is an image diagram of an example of a design mode selection screen. In step S10, the design mode acquiring unit24of the design support device10acquires information on the design mode selected by the operator at the user terminal12.

For example, the operator selects a design mode from a design mode selection screen1000ofFIG.7displayed at the user terminal12. The design mode selection screen1000ofFIG.7is an example in which the operator is caused to select “perform condition search” or “do not perform search” of the polymer design and is caused to select “perform condition search” or “do not perform search” of the resin composition design.

The operator can select the support of the polymer design by the inverse problem analysis by selecting “perform condition search” of the polymer design on the design mode selection screen1000. The operator can select the support of the polymer design by the forward problem analysis by selecting “do not perform search” of the polymer design on the design mode selection screen1000.

The operator can select the support of the resin composition design by the inverse problem analysis by selecting “perform condition search” of the resin composition design on the design mode selection screen1000. The operator can select the support of the resin composition design by the forward problem analysis by selecting “do not perform search” of the resin composition design on the design mode selection screen1000.

In step S12, the control unit30of the design support device10determines whether the operator has selected “perform condition search” of the resin composition design mode based on the information on the design mode acquired in step S10. If the operator does not select “perform condition search” of the resin composition design mode, the control unit30determines that the operator has selected “do not perform search”, and proceeds to the processing of step S14.

In step S14, the control unit30of the design support device10determines whether the operator has selected “perform condition search” of the polymer design based on the information on the design mode acquired in step S10. If the operator has not selected “perform condition search” of the polymer design, the control unit30determines that the operator has selected “do not perform search” of the polymer design, and proceeds to the processing of step S18. If the operator selects “perform condition search” of the polymer design, the control unit30proceeds to the processing of step S20.

In step S18, the control unit30performs a polymer design support process using the forward problem analysis and a resin composition design support process using the forward problem analysis. In step S20, the control unit30performs a polymer design support process using the inverse problem analysis and the resin composition design support process using the forward problem analysis.

Additionally, in step S12, the control unit30of the design support device10determines whether the operator has selected “perform condition search” of the resin composition design based on the information on the design mode acquired in step S10. If the operator selects “perform condition search” of the resin composition design, the control unit30proceeds to the processing of step S16.

In step S16, the control unit30of the design support device10determines whether the operator has selected “perform condition search” of the polymer design based on the information on the design mode acquired in step S10. If the operator has not selected “perform condition search” of the polymer design, the control unit30determines that the operator has selected “do not perform search” of the polymer design, and proceeds to the processing of step S22. If the operator has selected “perform condition search” of the polymer design, the control unit30proceeds to the processing of step S24.

In step S22, the control unit30performs the polymer design support process using the forward problem analysis and the resin composition design support process using the inverse problem analysis. In step S24, the control unit30performs the polymer design support process using the inverse problem analysis and the resin composition design support process using the inverse problem analysis.

Here, the design mode selection screen1000ofFIG.7is an example, and “perform condition search” or “do not perform search” may be selected for any one of the polymer design and the resin composition design. Additionally, when the number of design modes available to the operator is one, the process illustrated inFIG.6may be omitted.

Processing Example of Step S18

FIG.8is a flowchart of an example of the polymer design support process using the forward problem analysis and the resin composition design support process using the forward problem analysis.FIG.9Ais a configuration diagram illustrating an example of the polymer design condition information.FIG.9Bis a configuration diagram illustrating an example of the polymer property prediction information.FIG.10Ais a configuration diagram illustrating an example of the resin composition design condition information.FIG.10Bis a configuration diagram illustrating an example of the resin composition property prediction information.

In step S100, the design condition acquiring unit28of the design support device10acquires the polymer design condition information input by the operator at the user terminal12, for example, as illustrated inFIG.9A. The polymer design condition information includes the types and mixing amounts of the materials as information.

In step S102, the control unit30provides, to the polymer property predicting unit36, the polymer design condition information acquired by the design condition acquiring unit28in step S100, and requests property prediction of the polymer. The polymer property predicting unit36performs the property prediction based on the provided polymer design condition information by using the mathematical model. The polymer property predicting unit36obtains the polymer property prediction information as illustrated inFIG.9B, for example, by the property prediction using the mathematical model.

In step S104, the control unit30performs control to cause the user terminal12to display the polymer property prediction information acquired in step S102, for example, as illustrated inFIG.9B. The information that the user terminal12is caused to display in step S104may include the polymer design condition information that is input by the operator in step S100, for example, illustrated inFIG.9A.

In step S106, the design condition acquiring unit28of the design support device10acquires the resin composition design condition information input by the operator at the user terminal12, for example, illustrated inFIG.10A. The resin composition design condition information illustrated inFIG.10Aincludes the polymer whose property prediction information has been obtained in step S102as a material. The resin composition design condition information includes types and mixing amounts of the materials as information.

In step S108, the control unit30provides, to the resin composition property predicting unit38, the resin composition design condition information acquired by the design condition acquiring unit28in step S106, and requests the property prediction of the resin composition. The resin composition property predicting unit38performs the property prediction based on the provided resin composition design condition information by using the mathematical model. The resin composition property predicting unit38acquires the resin composition property prediction information, for example, as illustrated inFIG.10Bby the property prediction using the mathematical model.

Additionally, in step S110, the control unit30performs control to cause the user terminal12to display the resin composition property prediction information acquired in step S108, for example, as illustrated inFIG.10B. The information that the user terminal12is caused to display in step S110may include, for example, the resin composition design condition information input by the operator in step S106, for example, illustrated inFIG.10A.

According to the process ofFIG.8, the property of the polymer when the polymer is synthesized from the monomers is evaluated, and then the property of the resin composition in which the polymerization initiator, the sensitizer, the adhesion agent, the plasticizer, the solvent, and the like are mixed with the synthesized polymer can be evaluated.

Processing Example of Step S20

FIG.11is a flowchart of an example of the polymer design support process using the inverse problem analysis and the resin composition design support process using the forward problem analysis.FIG.12is a configuration diagram illustrating an example of the required property information for the polymer and the resin composition.FIG.13is a configuration diagram illustrating an example of the range information on the polymer design condition information.FIG.14is a configuration diagram illustrating an example of the resin composition design condition information.FIG.15AandFIG.15Bare configuration diagrams illustrating an example of information on a proposed polymer.FIG.16is a screen image illustrating an example of displaying the information on the proposed polymer.

In step S200, the required property acquiring unit26of the design support device10acquires the required property information for the polymer and the resin composition input by the operator at the user terminal12, for example, as illustrated inFIG.12. The required property information for the polymer and the resin composition inFIG.12is an example in which the required properties for the polymer and the resin composition are represented by the lower limit value and the upper limit value.

In step S202, the design condition acquiring unit28acquires the range information on the polymer design condition information input by the operator at the user terminal12, for example, as illustrated inFIG.13. The range information on the polymer design condition information inFIG.13includes, as information, the type of material and the lower limit value and the upper limit value of the mixing amount of each material.

Additionally, the range information on the polymer design condition information inFIG.13is an example in which the operator can select a material that must be included in the polymer to be synthesized. The item “must include” is checked for the material selected by the operator to be necessarily included in the polymer to be synthesized.FIG.13indicates an example in which the operator selects the “monomer A” and the “monomer B” as the materials necessary to be included in the polymer to be synthesized.

In step S204, the design condition acquiring unit28acquires the resin composition design condition information input by the operator at the user terminal12, for example, as illustrated inFIG.14. The resin composition design condition information illustrated inFIG.14includes a designed polymer as a material. The resin composition design condition information includes the types and mixing amounts of the materials as information.

In step S206, the control unit30provides, to the polymer design condition proposing unit32, the range information on the polymer design condition information acquired in step S202, and requests generation of the exhaustive search points within the range of the range information on the polymer design condition information. The polymer design condition proposing unit32generates a predetermined number (for example,1000) of exhaustive search points at random or at predetermined intervals within the range of the range information on the provided polymer design condition information.

The exhaustive search point is a combination of mixing amounts of “monomer A”, “monomer B”, “monomer C”, “polymerization initiator A”, “polymerization initiator C”, and “polymerization initiator D”, which are the materials, for the range information on the polymer design condition information ofFIG.13, for example. The mixing amount of each material is selected from the range indicated by the items “lower limit value of mixing amount” and “upper limit value of mixing amount”.

In step S208, the polymer design condition proposing unit32performs the property prediction of the polymer based on multiple exhaustive search points generated in step S206by using the mathematical model, and obtains multiple polymer property prediction information based on the multiple exhaustive search points. The control unit30provides, to the resin composition property predicting unit38, the multiple polymer property prediction information based on the multiple exhaustive search points and the resin composition design condition information acquired by the design condition acquiring unit28in step S204, and requests the property prediction of the resin composition.

The resin composition property predicting unit38performs the property prediction based on the multiple polymer property prediction information based on the provided multiple exhaustive search points and the resin composition design condition information acquired by the design condition acquiring unit28in step S204by using the mathematical model. The resin composition property predicting unit38obtains the multiple resin composition property prediction information by performing the property prediction using the mathematical model.

In step S210, the polymer design condition proposing unit32extracts an exhaustive search point in which the property prediction information on the polymer and the resin composition obtained in step S208satisfies the required property information for the polymer and the resin composition as illustrated inFIG.12, for example. The processing of step S210is the process of extracting an exhaustive search point that has satisfied the required property information for the polymer and the resin composition as illustrated inFIG.12from among the exhaustive search points generated at random or at predetermined intervals within the range of the design condition.

In step S212, the control unit30performs control to cause the user terminal12to display the property prediction information and the design condition information for the polymer synthesized based on the exhaustive search point extracted in step S210as information on the proposed polymer as illustrated inFIG.15AandFIG.15B, for example. For example,FIG.15Aindicates the property prediction information on the polymers synthesized based on the exhaustive search points extracted in step S210as the information on the proposed polymers. Additionally, for example,FIG.15Bindicates the design requirement information on the polymers synthesized based on the exhaustive search points extracted in the step S210as the information on the proposed polymers. The information on the proposed polymers illustrated inFIG.15AandFIG.15Bis an example, and for example, the property prediction information on the proposed polymer illustrated inFIG.15Aand the design requirement information on the proposed polymer illustrated inFIG.15Bmay be displayed side by side in one line.

Here, the control unit30may perform control to cause the user terminal12to display the information on the proposed polymer synthesized based on the exhaustive search points extracted in step S210, for example, as a calculation result screen1100as illustrated inFIG.16. The calculation result screen1100ofFIG.16is an example in which the information on the proposed polymers to be synthesized based on the exhaustive search points extracted in step S210is graphically displayed.

In a field1102, a slider for adjusting the required property is displayed on the calculation result screen1100. By using the slider in the field1102, the operator can plot calculation results obtained by adjusting the required property displayed in the field1102.

In a field1104, a graph of the molecular weights of multiple proposed polymers is displayed. In a field1106, the property prediction information on multiple proposed polymers is displayed. Here, in the field1106ofFIG.16, the solvent resistance (for example, NMP resistance) and the heat resistance required when a resin composition is generated using the polymer are displayed as the property of the proposed polymer.

According to the process ofFIG.11, the design condition of the polymer when synthesizing the polymer from the monomers is searched and optimized, and then the property of the resin composition in which the polymerization initiator, the sensitizer, the adhesion agent, the plasticizer, and the like are mixed with the synthesized polymer according to predetermined evaluation conditions can be evaluated.

Processing Example of Step S22

FIG.17is a flowchart of an example of the polymer design support process using the forward problem analysis and the resin composition design support process using the inverse problem analysis.FIG.18is a configuration diagram illustrating an example of the required property information for the resin composition.FIG.19is a configuration diagram illustrating an example of the range information on the resin composition design condition information.FIG.20AandFIG.20Bare configuration diagrams illustrating an example of information on the proposed resin composition.

In step S300, the required property acquiring unit26of the design support device10acquires the required property information for the resin composition input by the operator at the user terminal12, for example, as illustrated inFIG.18. The required property information for the resin composition inFIG.18is an example in which the required property for the resin composition is represented by a lower limit value and an upper limit value.

In step S302, the design condition acquiring unit28of the design support device10acquires the polymer design condition information input by the operator at the user terminal12, for example, as illustrated inFIG.9A.

In step S304, the control unit30provides, to the polymer property predicting unit36, the polymer design condition information acquired by the design condition acquiring unit28in step S302, and requests the property prediction of the polymer. The polymer property predicting unit36performs the property prediction based on the provided polymer design condition information by using the mathematical model. The polymer property predicting unit36obtains the polymer property prediction information, for example, as illustrated inFIG.9Bby the property prediction using the mathematical model.

In step S306, the control unit30performs control to cause the user terminal12to display the polymer property prediction information obtained in step S304, for example, as illustrated inFIG.9B. The information that the user terminal12is caused to display in step S306may include the polymer design condition information input by the operator in step S302, for example, illustrated inFIG.9A.

In step S308, the design condition acquiring unit28acquires the range information on the resin composition design condition information input by the operator at the user terminal12, for example, as illustrated inFIG.19. The range information on the resin composition design condition information illustrated inFIG.19includes the designed polymer as a material. The range information on the resin composition design condition information inFIG.19includes, as information, the types of materials, and the lower limit value and the upper limit value of the mixing amount of each material.

Additionally, the range information on the resin composition design condition information inFIG.19is an example in which the operator can select a material necessary to be included in the resin composition to be generated. The item “must include” is checked for the material selected by the operator to be necessarily included in the resin composition to be generated.FIG.19is an example in which the operator selects “polymer 1”, “sensitizer A”, and “adhesion agent A” as the materials necessary to be included in the resin composition to be generated.

In step S310, the control unit30provides, to the resin composition design condition proposing unit34, the range information on the resin composition design condition information acquired in step S308, and requests generation of exhaustive search points within the range of the range information on the resin composition design condition information. The resin composition design condition proposing unit34generates a predetermined number (for example,1000) of exhaustive search points at random or at predetermined intervals within the range of the range information on the provided resin composition design condition information.

For example, in the range information on the resin composition design condition information inFIG.19, the exhaustive search point is a combination of the mixing amounts of “polymer 1”, “polymerization initiator B”, “polymerization initiator E”, “sensitizer A”, “adhesion agent A”, and “plasticizer A”, which are the materials. The mixing amount of each material is selected within the range indicated by the items “lower limit value of mixing amount” and “upper limit value of mixing amount”.

In step S312, the resin composition design condition proposing unit34performs the property prediction of the resin composition based on multiple exhaustive search points generated in step S310by using the mathematical model, and obtains the property prediction information on multiple resin compositions based on multiple exhaustive search points.

In step S314, the resin composition design condition proposing unit34extracts an exhaustive search point in which the resin composition property prediction information obtained in step S312satisfies the required property information for the resin composition, for example, as illustrated inFIG.18. The processing of step S314is the process of extracting the exhaustive search point that has satisfied the required property information for the resin composition as illustrated inFIG.18from among the exhaustive search points generated at random or at predetermined intervals within the range of the design conditions.

In step S316, the control unit30performs control to cause the user terminal12to display the property prediction information and the design condition information for the resin composition created based on the exhaustive search point extracted in step S314, for example, as the information on the proposed resin composition illustrated inFIG.20AandFIG.20B. For example,FIG.20Aindicates, as the information on the proposed resin composition, the property prediction information on the resin compositions synthesized based on the exhaustive search points extracted in step S314. Additionally,FIG.20Bindicates, as the information on the proposed resin composition, the design requirement information for the resin compositions synthesized based on the exhaustive search points extracted in step S314. The information on the proposed resin composition illustrated inFIG.20AandFIG.20Bis an example, and the property prediction information on the proposed resin composition illustrated inFIG.20Aand the design requirement information on the proposed resin composition illustrated inFIG.20Bmay be displayed side by side in one line, for example.

According to the process ofFIG.17, the property of the polymer synthesized from monomers under predetermined synthesis conditions is evaluated, and then a design condition of a resin composition in which a polymerization initiator, a sensitizer, an adhesion agent, a plasticizer, a solvent, and the like are mixed with the synthesized polymer can be searched for and optimized.

Processing Example of Step S24

FIG.21is a flowchart of an example of the polymer design support process using the inverse problem analysis and the resin composition design support process using the inverse problem analysis.FIG.22AandFIG.22Bare configuration diagrams illustrating an example of the information on the proposed polymer.FIG.23is a configuration diagram illustrating an example of the range information on the resin composition design condition information.FIG.24AandFIG.24Bare configuration diagrams illustrating an example of the information on the proposed resin composition.

In step S400, the required property acquiring unit26of the design support device10acquires the required property information for the polymer and the resin composition input by the operator at the user terminal12, for example, as illustrated inFIG.12. In step S402, the design condition acquiring unit28acquires the range information on the polymer design condition information input by the operator at the user terminal12, for example, as illustrated inFIG.13.

In step S404, the control unit30provides, to the polymer design condition proposing unit32, the range information on the polymer design condition information acquired in step S402, and requests generation of the exhaustive search points within the range of the range information on the polymer design condition information. The polymer design condition proposing unit32generates a predetermined number (for example,1000) of exhaustive search points at random or at predetermined intervals within the range of the range information on the provided polymer design condition information.

In step S406, the polymer design condition proposing unit32performs the property prediction of the polymer based on the multiple exhaustive search points generated in step S404by using the mathematical model, and obtains multiple polymer property prediction information based on the multiple exhaustive search points.

In step S408, the polymer design condition proposing unit32extracts an exhaustive search point in which the polymer property prediction information obtained in step S406satisfies the required property information for the polymer, for example, as illustrated inFIG.12. The processing of step S408is the process of extracting the exhaustive search point that has satisfied the required property information for the polymer from among the exhaustive search points generated at random or with predetermined intervals within the range of the design condition of the polymer.

In step S410, the design condition acquiring unit28acquires the range information on the resin composition design condition information input by the operator at the user terminal12, for example, as illustrated inFIG.23. The range information on the resin composition design condition information illustrated inFIG.23includes the designed polymer (corresponding to the exhaustive search point extracted in step S408) as a material. The range information on the resin composition design condition information inFIG.23includes, as information, the types of materials, and the lower limit value and the upper limit value of the mixing amount of each material.

Additionally, the range information on the resin composition design condition information inFIG.23is an example in which the operator can select a material necessary to be included in the resin composition to be generated. The item “must include” is checked for the material selected by the operator to be necessarily included in the resin composition to be generated.FIG.23indicates an example in which the operator selects the “designed polymer”, the “sensitizer A”, and the “adhesion agent A” as the materials necessary to be included in the resin composition to be generated.

In step S412, the control unit30provides, to the resin composition design condition proposing unit34, the range information on the resin composition design condition information acquired in step S410, and requests generation of the exhaustive search points within the range of the range information on the resin composition design condition information. The resin composition design condition proposing unit34generates a predetermined number (for example,1000) of exhaustive search points of the resin composition at random or at predetermined intervals within the range of the range information on the provided resin composition design condition information.

For example, in the range information on the resin composition design condition information inFIG.23, the exhaustive search point of the resin composition is a combination of the mixing amounts of the “designed polymer”, the “polymerization initiator B”, the “polymerization initiator E”, the “sensitizer A”, the “adhesion agent A”, and the “plasticizer A”, which are the materials. The mixing amount of each material is selected from the range indicated by the items “lower limit value of mixing amount” and “upper limit value of mixing amount”.

In step S414, the resin composition design condition proposing unit34performs the property prediction of the resin composition based on the multiple exhaustive search points of the polymer extracted in step S408and the multiple exhaustive search points of the resin composition generated in step S412by using the mathematical model. The resin composition design condition proposing unit34obtains multiple resin composition property prediction information based on the multiple exhaustive search points of the polymer and the resin composition.

In step S416, the resin composition design condition proposing unit34extracts exhaustive search points of the polymer and the resin composition in which the resin composition property prediction information obtained in step S414satisfies the required property information for the resin composition, for example, as illustrated inFIG.12.

In step S418, the control unit30performs control to cause the user terminal12to display the property prediction information and the design condition information for the polymer synthesized based on the exhaustive search point of the polymer extracted in step S416as the information on the proposed polymer, for example, as illustrated inFIG.22AandFIG.22B.FIG.22Aillustrates, as the information on the proposed polymer, the property prediction information on the polymers synthesized based on the exhaustive search points extracted in step S416, for example. Additionally,FIG.22Billustrates, as the information on the proposed polymer, the design requirement information on the polymers synthesized based on the exhaustive search points extracted in step S416. Here, the information on the proposed polymer illustrated inFIG.22AandFIG.22Bis an example, and the property prediction information on the proposed polymer illustrated in FI.22A and the design requirement information on the proposed polymer illustrated inFIG.22Bmay be displayed side by side in one line, for example.

Additionally, in step S418, the control unit30performs control to cause the user terminal12to display the property prediction information and the design condition information for the resin-composition generated based on the exhaustive search point extracted in step S416, for example, as the information on the proposed resin composition as illustrated inFIG.24AandFIG.24B.FIG.24Aillustrates, as the information on the proposed resin composition, the property prediction information on the resin compositions synthesized based on the exhaustive search points extracted in step S416, for example. Additionally,FIG.24Billustrates, as the information on the proposed resin composition, the design requirement information on the resin compositions synthesized based on the exhaustive search points extracted in the step S416. The information on the proposed resin composition illustrated inFIG.24AandFIG.24Bis an example, and the property prediction information on the proposed resin composition illustrated inFIG.24Aand the design requirement information on the proposed resin composition illustrated inFIG.24Bmay be displayed side by side in one line, for example.

According to the process ofFIG.21, by narrowing down the exhaustive search points of the polymer that satisfy the required property of the polymer design in advance, it becomes unnecessary to generate the exhaustive search points of the resin composition containing the polymer that do not satisfy the required property of the polymer design or to perform the property prediction, and the design condition of the resin composition can be efficiently searched.

FIG.25is a flowchart of an example of the polymer design support process using the inverse problem analysis and the resin composition design support process using the inverse problem analysis.FIG.26is a configuration diagram illustrating an example of the range information on the polymer property prediction information.FIG.27AandFIG.27Bare configuration diagrams illustrating an example of the information on the proposed polymer.FIG.28is a configuration diagram illustrating an example of the required property information for the polymer transcribed from the information on the proposed polymer.

In step S500, the required property acquiring unit26of the design support device10acquires the required property information for the resin composition input by the operator at the user terminal12, for example, as illustrated inFIG.18. In step S502, the design condition acquiring unit28acquires the resin composition design condition information input by the operator at the user terminal12, for example, as illustrated inFIG.14.

In step S504, the required property acquiring unit26acquires the range information on the required property information for the polymer input by the operator at the user terminal12, for example, as illustrated inFIG.26. In the range information on the required property information for the polymer inFIG.26, the required property for the polymer is represented by a lower limit value and an upper limit value for each required property.

In step S506, the control unit30provides, to the polymer design condition proposing unit32, the range information on the required property information for the polymer acquired in step S504, and requests generation of the exhaustive search points within the range of the range information on the required property information for the polymer. The polymer design condition proposing unit32generates a predetermined number (for example,1000) of exhaustive search points at random or at predetermined intervals within the range of the range information on the provided required property information for the polymer.

In step S508, the control unit30requests the resin composition design condition proposing unit34to perform the property prediction of the resin composition based on the exhaustive search points of the polymer generated in step S506. The resin composition design condition proposing unit34performs the property prediction of the resin composition based on the exhaustive search points of the polymers generated in step S506by using the mathematical model, and obtains the multiple resin composition property prediction information based on the multiple exhaustive search points.

In step S510, the polymer design condition proposing unit32extracts, from among the multiple exhaustive search points generated in step S506, an exhaustive search point in which the resin composition property prediction information obtained in step S508satisfies the required property information for the resin composition, for example, as illustrated inFIG.18. The processing of step S510is the process of extracting the exhaustive search point that has satisfied the required property information for the resin composition as illustrated inFIG.18from among the exhaustive search points generated at random or at predetermined intervals in the range of the required property of the polymer, for example.

In step S512, the control unit30performs control to cause the user terminal12to display the property prediction information and the design requirement information on the polymer synthesized based on the exhaustive search point extracted in step S510as the information on the proposed polymer, for example, as illustrated inFIG.27AandFIG.27B.FIG.27Aillustrates, as the information on the proposed polymer, the property prediction information on the polymers synthesized based on the exhaustive search points extracted in step S510, for example. Additionally,FIG.27Billustrates, as the information on the proposed polymer, the design requirement information on the polymers synthesized based on the exhaustive search points extracted in step S510, for example. The information on the proposed polymer illustrated inFIG.27AandFIG.27Bis an example, and the property prediction information on the proposed polymer illustrated inFIG.27Aand the design requirement information on the proposed polymer illustrated inFIG.27Bmay be displayed side by side in one line, for example.

In step S512, the control unit30performs control to cause the user terminal12to display the range information on the polymer design requirement information acquired from the proposed polymer design requirement information illustrated in theFIG.27Bas the information on the proposed polymer as illustrated in the upper part ofFIG.28, for example. In the upper part ofFIG.28, for example, the range information on the polymer design requirement information is proposed to the operator as the information on the proposed polymer. Here, as illustrated inFIG.28, the operator can transcribe the information on the proposed polymer in the upper part as the required property information for the polymer illustrated in the lower part, and can also correct the numerical value after the transcription.

In step S514, the design condition acquiring unit28acquires the range information on the polymer design condition information input by the operator at the user terminal12, for example, inFIG.13.

In step S516, the control unit30provides, to the polymer design condition proposing unit32, the range information on the polymer design condition information acquired in step S514, and requests generation of the exhaustive search points within the range of the range information on the polymer design condition information. The polymer design condition proposing unit32generates a predetermined number (for example,1000) of exhaustive search points at random or at predetermined intervals within the range of the range information on the provided polymer design condition information.

In step S518, the polymer design condition proposing unit32performs the property prediction of the polymer based on the multiple exhaustive search points generated in step S516by using the mathematical model, and obtains multiple polymer property prediction information based on the multiple exhaustive search points.

In step S520, the polymer design condition proposing unit32extracts an exhaustive search point in which the polymer property prediction information obtained in step S518satisfies the required property information for the polymer as illustrated in the lower part ofFIG.28, for example. The processing of step S520is the process of extracting the exhaustive search point that has satisfied the required property information for the polymer from among the exhaustive search points generated at random or with predetermined intervals within the range of the design condition of the polymer.

In step S522, the control unit30performs control to cause the user terminal12to display the property prediction information and the design condition information for the polymer synthesized based on the exhaustive search point of the polymer extracted in step S520as the information on the proposed polymer as illustrated inFIG.29AandFIG.29B, for example.FIG.29Aillustrates, as the information on the proposed polymer, the property prediction information on the polymers synthesized based on the exhaustive search points extracted in step S520, for example. Additionally,FIG.29Billustrates, as the information on the proposed polymer, the design requirement information on the polymers synthesized based on the exhaustive search points extracted in the step S520. Here, the information on the proposed polymer illustrated inFIG.29AandFIG.29Bis an example, and the property prediction information on the proposed polymer illustrated inFIG.29Aand the design requirement information on the proposed polymer illustrated inFIG.29Bmay be displayed side by side in one line, for example.

According to the process ofFIG.25, the property of the polymer that satisfies the required property for the resin composition can be searched, and further, the design condition of the polymer that satisfies the property of the polymer can be searched and optimized.

When designing the resin composition, the properties of the resin composition may be controlled by adjusting the properties of the polymer such as the viscosity, the glass transition point, the molecular weight, the acid value, and the like. Therefore, it is necessary to search for the properties of the polymer that satisfy the required properties for the resin composition, and then search for and optimize the compositions of the monomer, the polymerization initiator, and the like that satisfy the property of the polymer, and the design support device10that is suitable is required.

Additionally, an operator who performs the mix of the resin composition may perform development while combining the properties of the polymer and the properties of the resin composition in his/her head. Therefore, it is very convenient that the properties of the polymer that satisfy the required properties of the resin composition are proposed. Additionally, an operator who performs the synthesis of the polymer may select a monomer to be used and performs development while imagining properties of a target polymer in his/her head. Therefore, it is very convenient that the properties of the polymer that satisfy the required properties for the resin composition are proposed.

Registration and Use of Design Condition Information and Property Prediction Information

FIG.30is a flowchart of an example of a registration and use process of the design condition information and the property prediction information.FIG.31Ais a configuration diagram illustrating an example of the design condition information for the polymer.FIG.31Bis a configuration diagram illustrating an example of the polymer property prediction information.FIG.32AandFIG.32Bare configuration diagrams illustrating an example of a registration and use process of the design condition information and the property prediction information on the polymer.FIG.33is a configuration diagram illustrating an example of the resin composition property prediction information.

In step S600, the design condition acquiring unit28of the design support device10acquires the polymer design condition information input by the operator at the user terminal12, for example, as illustrated inFIG.31A. The polymer design condition information includes the types and mixing amounts of the materials as information.

In step S602, the control unit30provides, to the polymer property predicting unit36, the polymer design condition information acquired by the design condition acquiring unit28in step S600, and requests the property prediction of the polymer. The polymer property predicting unit36performs the property prediction based on the provided polymer design condition information by using the mathematical model. The polymer property predicting unit36obtains the polymer property prediction information by the property prediction using the mathematical model.

In step S604, the control unit30performs control to cause the user terminal12to display the polymer property prediction information obtained in step S602. The control unit30causes the user terminal12to display the design condition information and the property prediction information on the polymer illustrated inFIG.31B, for example, so that the operator can select the polymer to be registered. In the example ofFIG.31B, the design condition information and the property prediction information on the polymer for which the item “register” is checked are associated with each other and registered in the design support device10.

In step S606, the control unit30can select a polymer to be used for generating a resin composition from the information on the registered polymers, for example, as illustrated inFIG.32A. The operator can select the polymer to be used as the resin composition design condition information, for example, as illustrated inFIG.32Bfrom the information on the polymers registered by the radio button of the item “register” inFIG.32A.

In step S608, the design condition acquiring unit28of the design support device10acquires the resin composition design condition information input by the operator at the user terminal12, for example, as illustrated inFIG.32B. The resin composition design condition information illustrated inFIG.32Bincludes the registered polymer selected in the step S606as a material.

In step S610, the control unit30provides, to the resin composition property predicting unit38, the resin composition design condition information acquired by the design condition acquiring unit28in step S608, and requests the property prediction of the resin composition. The resin composition property predicting unit38performs the property prediction based on the provided resin composition design condition information by using the mathematical model. The resin composition property predicting unit38obtains the resin composition property prediction information, for example, illustrated inFIG.33by the property prediction using the mathematical model. In step S612, the control unit30performs control to cause the user terminal12to display the resin composition property prediction information, for example, as illustrated inFIG.33.

According to the process ofFIG.30, the design condition information and the property prediction information on the polymer whose design has been completed are registered, and can be selected and used when the resin composition is designed. For example, in the development of the resin composition, the evaluation of the property of the resin composition is frequently performed by using a polymer whose design has been completed multiple times and variously changing the types and mixing amounts of the polymerization initiator, the sensitizer, the adhesion agent, the plasticizer, and the like.

Therefore, it is very convenient that the design condition information and the property prediction information on a polymer whose design has been completed are registered, and can be selected and used when a resin composition is designed.

Here, the registration and use of the design condition information and the property prediction information on the polymer in the combination of the design of the polymer by the inverse problem analysis and the property prediction of the resin composition by the forward problem analysis have been described above. However, the same applies to the combination of the design of the polymer by the forward problem analysis and the property prediction of the resin composition by the inverse problem analysis, the combination of the design of the polymer by the forward problem analysis and the property prediction of the resin composition by the forward problem analysis, or the combination of the design of the polymer by the inverse problem analysis and the property prediction of the resin composition by the inverse problem analysis.

OTHER EMBODIMENTS

With respect to the polymer designed by the design support device10according to the present embodiment and the resin composition containing the polymer, by supplying design condition information for the polymer and a compound such as the resin composition containing the polymer to a manufacturing device that generates the polymer and the compound such as the resin composition containing the polymer, the polymer and the compound such as the resin composition containing the polymer may be generated by the manufacturing device.

As described above, according to the information processing system of the present embodiment, a design support device, a design support method, and a program suitable for designing a first compound such as a polymer and designing a second compound such as a resin composition containing the first compound such as a polymer can be provided.

While the present embodiments have been described above, it will be understood that various changes in form and detail may be made without departing from the spirit and scope of the appended claims.

Although the present invention has been described based on the embodiments, the present invention is not limited to the above-described embodiments, and various modifications can be made within the scope described in the claims. This application claims priority to Basic Application No. 2021-206288 filed on Dec. 20, 2021 with the Japan Patent Office, the entire contents of which are incorporated herein by reference.

DESCRIPTION OF REFERENCE SYMBOLS