Manufacturing support system and manufacturing support device

Abstract

Provided are techniques for easily selecting a material recipe and a process condition necessary for preparing a polymer blend having desired material characteristics.　This manufacturing support system uses at least one computer and is characterized in that the computer includes: an input / output control unit that receives designation of a plurality of types of raw material polymers as a material recipe; an appropriate dispersion state derivation unit that, using the material recipe, derives a dispersion state of a polymer blend that satisfies predetermined required characteristics; and an appropriate process condition derivation unit that derives a process condition in which interface adhesion is equal to or greater than a predetermined value in the dispersion state, and a material recipe in the process condition.

Description

Manufacturing support system and manufacturing support device

[0001] The present invention relates to a manufacturing support system and a manufacturing support device. This invention claims priority from Japanese Patent Application No. 2023-115629, filed on July 14, 2023, and the contents of that application are incorporated by reference into this application in designated states where incorporation by reference of documents is permitted.

[0002] Plastics (resin materials) are used in a wide range of applications. In recent years, in order to reduce the impact of plastic waste on the environment, bioplastics (a general term for plastics made from biomass and biodegradable plastics) and recycled plastics made from recycled plastic waste have been developed. Bioplastics and recycled plastics often have inferior properties compared to regular plastics, so polymer blending technology is being researched as one way to compensate for this.

[0003] A polymer blend is a material that combines multiple polymers to develop properties not found in a single polymer. The properties of a polymer blend are affected by the compatibility and interfacial adhesion between the polymers, and the phase dispersion state and interfacial adhesion are determined by the molding conditions (temperature, pressure, etc.) and the molecular structure of the polymers. Therefore, creating a polymer blend with the desired properties requires advanced physical and chemical expertise.

[0004] A technique for predicting material properties using computer simulation is disclosed in Patent Document 1.

[0005] Patent Document 1 describes a fiber material model creation method for creating a full-atom molecular dynamics model of a fiber material for numerical analysis by computer simulation, the fiber material model creation method comprising the steps of: creating a monomer model of the fiber material to be analyzed; polymerizing the monomer model to create a polymer model that serves as a unit model; creating a randomly arranged model in which a plurality of the polymer models are randomly arranged in a predetermined space; creating an unoriented model by structurally relaxing the randomly arranged model by molecular dynamics calculation; performing a first orientation process on the unoriented model by applying shear energy in one axial direction to stretch the molecular chain in one axial direction; selecting one molecular chain in a fully extended state by the first orientation process, creating molecular chains by copying the selected molecular chain multiple times, and creating a model in which each of the copied molecular chains is arranged at coordinates corresponding to the crystal structure of the fiber material; and structurally relaxing the model immediately after the second orientation process by molecular dynamics calculation to create a fiber material model.

[0006] In the method described in Patent Document 1, the interfacial adhesion between the fiber material and the adhesive liquid is examined by computer simulation, and the molecular structure of the fiber material that is compatible with the adhesive liquid can be derived.

[0007] JP 2013-002013 A

[0008] However, Patent Document 1 does not disclose a method for optimizing the material recipe and process conditions of the polymer blend, and therefore it is not possible to obtain a polymer blend with desired properties. An object of the present invention is to provide a technology for easily selecting the material recipe and process conditions required to produce a polymer blend with desired material properties.

[0009] The present application includes a plurality of means for solving at least part of the above-mentioned problems, examples of which are as follows: A manufacturing support system according to one aspect of the present invention for solving the above-mentioned problems is a manufacturing support system using one or more computers, wherein the computers include an input / output control unit that receives designations of a plurality of types of raw material polymers as a material recipe, an appropriate dispersion state derivation unit that uses the material recipe to derive a dispersion state of a polymer blend that satisfies predetermined required properties, and an appropriate process condition derivation unit that derives, from the dispersion state, process conditions under which interfacial adhesion is equal to or greater than a predetermined value, and the material recipe under those process conditions.

[0010] The present invention provides a technology for easily selecting the material recipe and process conditions necessary to produce a polymer blend having desired material properties. Objects, configurations, and effects other than those described above will become apparent from the following description of the preferred embodiments of the invention.

[0011] FIG. 1 is a diagram showing an example of the configuration of a manufacturing support system. FIG. 2 is a diagram showing an example of the processing flow of manufacturing support processing. FIG. 3 is a diagram showing an example of the processing flow of processing to derive an appropriate dispersion state of a raw material polymer. FIG. 4 is a diagram showing an example of the processing flow of processing to derive appropriate process conditions. FIG. 5 is a diagram showing an example of the data structure of a material recipe. FIG. 6 is a diagram showing an example of the data structure of macro characteristics. FIG. 7 is a diagram showing an example of the data structure of process conditions. FIG. 8 is a diagram showing an example of the hardware configuration of a manufacturing support device.

[0012] Hereinafter, embodiments of the present invention will be described with reference to the drawings. The examples are illustrative of the present invention, and for clarity of explanation, appropriate omissions and simplifications have been made. The present invention can be implemented in various other forms. Unless otherwise specified, each component may be singular or plural.

[0013] In order to facilitate understanding of the invention, the position, size, shape, range, etc. of each component shown in the drawings may not represent the actual position, size, shape, range, etc. Therefore, the present invention is not necessarily limited to the position, size, shape, range, etc. disclosed in the drawings.

[0014] Examples of various types of information may be described using expressions such as "table," "list," and "queue," but the various types of information may be expressed using data structures other than these. For example, various types of information such as "XX table," "XX list," and "XX queue" may be expressed as "XX information." When describing identification information, expressions such as "identification information," "identifier," "name," "ID," and "number" are used, but these are interchangeable. Furthermore, in the embodiments, identification information described using these expressions is expressed using symbols, numbers, natural language, or a combination thereof, but the identification information may be in a format other than these.

[0015] When there are multiple components with the same or similar functions, they may be described using the same reference numeral with different subscripts. When there is no need to distinguish between these multiple components, the subscripts may be omitted.

[0016] In the embodiments, processing performed by executing a program may be described. Here, a computer executes the program using a processor (e.g., a CPU or a GPU) and performs processing defined by the program using storage resources (e.g., memory) and interface devices (e.g., communication ports). Therefore, the entity performing the processing by executing the program may be the processor. Similarly, the entity performing the processing by executing the program may be a controller, device, system, computer, or node having a processor. The entity performing the processing by executing the program may be any computing unit, and may include a dedicated circuit that performs specific processing. Here, the dedicated circuit may be, for example, an FPGA (Field Programmable Gate Array), an ASIC (Application Specific Integrated Circuit), a CPLD (Complex Programmable Logic Device), or the like.

[0017] A program may be installed on a computer from a program source. The program source may be, for example, a program distribution server or a computer-readable storage medium. When the program source is a program distribution server, the program distribution server may include a processor and storage resources for storing the program to be distributed, and the processor of the program distribution server may distribute the program to be distributed to other computers. In addition, in the embodiments, two or more programs may be realized as one program, or one program may be realized as two or more programs.

[0018] Furthermore, although the present invention is typically realized by an information processing device, it may also be realized as a platform having the functions of the present invention.

[0019] 1 is a diagram showing an example of the configuration of a manufacturing support system 1. The manufacturing support system 1 includes a manufacturing support device 100, which is capable of communicating with an external device 200 that can be treated as a group of devices according to the usage environment, such as a display computer, connected to the external device 200 via a network N so as to be capable of communicating with the external device 200.

[0020] The network N may be, for example, a local area network (LAN), a wide area network (WAN), a virtual private network (VPN), a communication network that uses a general public line such as the Internet in part or in whole, a mobile phone communication network, or a combination of these. Note that the network N may also be a wireless communication network such as Wi-Fi (registered trademark) or 5G (Generation).

[0021] For example, the manufacturing support device 100 is an information processing device including a storage unit 110 , a processing unit 120 , an input unit 130 , an output unit 140 , and a communication unit 150 .

[0022] The manufacturing support device 100 performs various simulation processes on a wide variety of polymer blends and outputs polymer blends and process conditions that satisfy required characteristics. In this process, the manufacturing support device 100 performs simulations using required characteristics (required macro characteristics) as KPIs (Key Performance Indicators). In other words, the simulations can narrow down countless combinations, allowing for easy and efficient design. Various properties, such as tensile strength, elastic modulus, fracture strain, flexural strength, flexural strain, deflection temperature under load, coefficient of linear expansion, glass transition temperature, storage modulus, and loss modulus, can be set as KPIs.

[0023] The input unit 130 is displayed and operated on a screen, for example, and receives input information input by operating a keyboard or a mouse. The output unit 140 is a type of processing unit that performs presentation processing on the information to be displayed on the output screen, outputs the information to the screen, and also performs screen control in response to input operations on the screen, such as scrolling, sorting, and highlighting.

[0024] The communication unit 150 communicates with a group of devices such as a display computer connected via a network N so as to be able to communicate with each other, depending on the usage environment.

[0025] The storage unit 110 includes, as material information 111, a raw material polymer basic structure 112, a material recipe 113, macroscopic characteristics 114, and an appropriate material recipe 115. The storage unit 110 also includes, as molding information 116, process conditions 117 and appropriate process conditions 118. The appropriate material recipe 115 has the same data structure as the material recipe 113, which will be described later. The appropriate process conditions 118 have the same data structure as the process conditions 117, which will be described later.

[0026] FIG. 5 is a diagram showing an example of the data structure of a material recipe. Information indicating interfacial adhesion (the resistance to interfacial peeling, or affinity) is associated with each material recipe 113a. The material recipe includes the functional group structure of the raw material polymer side chain, the degree of substitution of the functional group, the molecular structure of the additive, and the additive mixing ratio, or a combination thereof. Furthermore, low interfacial adhesion is likely to cause crazes (a precursor phenomenon to cracks) and shear yielding.

[0027] 6 is a diagram showing an example of the data structure of macro characteristics. In the macro characteristics 114, a polymer type 114b and a polymer blend dispersion state 114c are associated with each property item 114a. Various properties such as tensile strength, elastic modulus, and breaking strain are set as KPIs in the property items 114a.

[0028] The polymer type 114b lists polymer types such as PLA, PBS, PBAT, and TPS. The polymer blend dispersion state 114c lists candidates for dispersion states obtained from combinations of raw polymers. Macroscopic properties are stored for each of the polymer type 114b and polymer blend dispersion state 114c.

[0029] 7 shows an example of the data structure of process conditions. The process conditions 117 correspond to the dispersion state and details of the conditions according to the process condition candidates 117a for each specific polymer blend. The process condition candidates 117a list combinations of process conditions such as temperature, pressure, flow rate, molding time, etc.

[0030] The dispersion state stores the dispersion structure of the polymer blend when the process condition candidate 117a is applied. For example, when it is desired to obtain a dispersion structure as fine as possible, it is often desirable to set the temperature condition as low as possible, and in this case, it is possible to specify how the dispersion structure will change depending on how the pressure and flow rate are set.

[0031] The dispersion state is defined by the geometric shape of the phases composed of multiple raw polymers. For example, in a polymer blend in which a minor component raw polymer is dispersed in a continuous phase of a main component raw polymer, the dispersion state can be defined by the precipitate amount, precipitate size, shape of the precipitated phase, distance between precipitated phases, etc. of the minor component polymer. Furthermore, in a polymer blend in which multiple raw polymers constitute co-continuous phases, the dispersion state can be defined by the size, shape, and period of the co-continuous phases.

[0032] Returning to the explanation of Fig. 1, the processing unit 120 includes an appropriate dispersion state deriving unit 121, an appropriate process condition deriving unit 122, a correction unit 123, and an input / output control unit 124.

[0033] The optimum dispersion state derivation unit 121 derives a dispersion state that satisfies predetermined required properties using a material recipe. The optimum dispersion state derivation unit 121 also generates a dispersion state of a polymer blend obtained by mixing specified raw material polymers, performs a continuum simulation to calculate the properties of the polymer blend in the dispersed state, and derives, as an optimum dispersion state, a dispersion state in which the properties of the polymer blend satisfy the predetermined required properties. The continuum simulation method can be, for example, the equivalent inclusion method, the elliptical inclusion method, or the finite element method.

[0034] The optimum process condition derivation unit 122 derives process conditions under which the interfacial adhesion is equal to or greater than a predetermined value among the dispersion states, and the material recipe under those process conditions. Furthermore, for the dispersion states that satisfy the predetermined required characteristics, the unit 122 derives a second dispersion state and the interfacial adhesion when blended under the predetermined process conditions by molecular simulation. The molecular simulation method uses a molecular model that defines the geometric structure of atoms and the interactions between atoms in a polymer, such as the all-atom model, the united atom model, or the bead spring model.

[0035] In deriving the dispersion state, the appropriate process condition derivation unit 122 uses a model that combines multiple molecular models of raw polymers as a dispersion state verification model. The appropriate process condition derivation unit 122 defines predetermined process conditions (temperature, pressure) for this model and performs a structural relaxation simulation to obtain a thermodynamically stable dispersion state.

[0036] Since the structural relaxation simulation performed when verifying the dispersion state requires a larger system size and a longer simulation time than the interfacial adhesion verification model described below, it is desirable to use a model with a higher degree of coarse-graining than the interfacial adhesion verification model described below in order to complete the calculation within a realistic time. Therefore, the appropriate process condition derivation unit 122 performs the molecular simulation for deriving the second dispersion state using a simulation method with a higher degree of coarse-graining than the molecular simulation for deriving the interfacial adhesion.

[0037] In deriving the interfacial adhesion, the appropriate process condition derivation unit 122 uses, as an interfacial adhesion verification model, a model that simulates the state of a phase-separation interface by joining a system made of one type of raw polymer with a system made of another type of raw polymer. The appropriate process condition derivation unit 122 defines predetermined process conditions (temperature, pressure) for this model, performs a structural relaxation simulation, and executes an interfacial adhesion simulation on the relaxed structure to calculate the interfacial adhesion at the phase-separation interface.

[0038] Methods for simulating interfacial adhesion include, for example, calculating the mechanical response until the structure is destroyed by deforming the system, or calculating the interfacial adhesion energy from the difference in potential energy between a system consisting of a single phase and a system consisting of multiple phases.

[0039] The correction unit 123 corrects the material recipe and process conditions so that the dispersion state derived by the appropriate dispersion state derivation unit 121 matches the second dispersion state to a predetermined degree or more, and the interfacial adhesion is a predetermined value or more.

[0040] The input / output control unit 124 receives a material recipe specifying a plurality of types of raw material polymers, and outputs the material recipe and process conditions corrected by the correction unit.

[0041] 2 is a diagram showing an example of a processing flow of the manufacturing support process. The manufacturing support process is started when manufacturing support device 100 receives a start instruction from a designer or the like.

[0042] First, the input / output control unit 124 receives the raw polymer basic structure, material recipe, macro characteristics, and required characteristics of the polymer blend from an external device 200, etc., and stores them in the raw polymer basic structure 112, material recipe 113, macro characteristics 114, and material information 111, respectively (step S001).

[0043] In this step, the input / output control unit 124 may accept the selection of data already stored in the raw polymer basic structure 112, material recipe 113, macro characteristics 114, and material information 111 regarding the raw polymer basic structure, material recipe, macro characteristics, and required characteristics of the polymer blend, if such data is available, or may store only the additions as differences.

[0044] Then, the proper dispersion state deriving unit 121 executes a process for deriving a candidate for a proper dispersion state of the raw polymer, which will be described later (step S002). Through this process, the proper dispersion state deriving unit 121 obtains a dispersion state that satisfies predetermined required characteristics.

[0045] The input / output control unit 124 then receives a selection of the appropriate distribution state to be used and a user input (step S003). Specifically, the input / output control unit 124 receives a selection input from the distribution states obtained in step S002 as the distribution state to be used in subsequent processing, or receives input of a different distribution state from the user, if any.

[0046] Then, the input / output control unit 124 receives the selection of the predetermined process conditions to be used and the input from the user, and stores them in the molding information 116 (step S004). Specifically, the input / output control unit 124 receives the selection input from the process conditions already stored in the process conditions 117 as the process conditions to be used in the subsequent processing, or receives the input of other process conditions from the user, if any.

[0047] Then, the appropriate process condition derivation unit 122 executes an appropriate process condition derivation process (described later) (step S005). Through this process, the appropriate process condition derivation unit 122 obtains process conditions under which the interface adhesion is equal to or greater than a predetermined value, and a material recipe under the process conditions.

[0048] The above is an example of a process flow for the manufacturing support process, which allows users to easily select the material recipe and process conditions required to create a polymer blend with desired material properties.

[0049] 3 is a diagram showing an example of a processing flow of the process for deriving candidates for the optimum dispersion state of the raw polymer. The process for deriving candidates for the optimum dispersion state of the raw polymer is started in step S002 of the manufacturing support process. The process for deriving candidates for the optimum dispersion state of the raw polymer is a process for deriving candidates for the optimum dispersion state that satisfies the required properties by randomly generating dispersion states in which the raw polymers are mixed and performing a continuum simulation based on macroscopic property data.

[0050] First, the optimal dispersion state derivation unit 121 randomly generates a dispersion state (polymer blend) of mixed raw polymers and constructs a model for continuum simulation (step S101). As described above, the continuum simulation method can be, for example, the equivalent inclusion method, the elliptical inclusion method, or the finite element method.

[0051] The appropriate dispersion state derivation unit 121 then assigns the macroscopic properties of the raw polymers to a model and performs a continuum simulation to derive the properties of the polymer blend (step S102). Specifically, the appropriate dispersion state derivation unit 121 refers to the macroscopic properties 114 for each raw polymer constituting the polymer blend, incorporates them into the continuum simulation model, and performs a continuum simulation to calculate the macroscopic properties 114 for each dispersion state 114c of the polymer blend and store them in the macroscopic properties 114.

[0052] Then, the optimum dispersion state deriving unit 121 determines whether the properties of the polymer blend satisfy the required properties received in step S001 of the manufacturing support process (step S103).

[0053] If the properties of the polymer blend do not satisfy the required properties ("No" in step S103), the correction unit 123 changes the dispersion state using a method such as Newton's method, the calculus of variations, or random (step S104). Then, the correction unit 123 returns control to step S102, and executes step S102 in the changed dispersion state.

[0054] If the properties of the polymer blend satisfy the required properties ("Yes" in step S103), the input / output control unit 124 stores the dispersion state that satisfies the required properties as an appropriate dispersion state in the material information 111 (step S105).

[0055] The above is an example of the processing flow of the process for deriving candidates for the optimum dispersion state of the raw material polymer. The process for deriving candidates for the optimum dispersion state of the raw material polymer makes it possible to derive candidates for the optimum dispersion state that satisfies the required properties.

[0056] 4 is a diagram showing an example of a processing flow of the process for deriving appropriate process conditions. The process for deriving appropriate process conditions starts in step S005 of the manufacturing support process. The process for deriving appropriate process conditions is a process in which a molecular dynamics simulation is performed based on the basic structure of the raw material polymer, the material recipe, and the process conditions to derive the stable dispersion state and the interfacial adhesion, corrects the material recipe and the process conditions until the degree of agreement between the stable dispersion state and the appropriate dispersion state and the interfacial adhesion reach or exceed predetermined values, and displays the corrected information.

[0057] First, the appropriate process condition derivation unit 122 generates a molecular model of the raw polymer and constructs a dispersion state verification model and an interface adhesion verification model (step S201). As described above, the appropriate process condition derivation unit 122 uses a model that combines multiple molecular models of the raw polymer as the dispersion state verification model. Furthermore, the appropriate process condition derivation unit 122 uses a model that simulates the state of a phase separation interface by joining a system consisting of one type of raw polymer with a system consisting of another type of raw polymer as the interface adhesion verification model.

[0058] The appropriate process condition derivation unit 122 then performs a molecular dynamics simulation using the material recipe and process conditions to derive the stable dispersion state and the interface adhesion (step S202). Note that the molecular dynamics simulation method uses a molecular model that defines the geometric structure of atoms and the interactions between atoms in a polymer, such as the all-atom model, the united-atom model, or the bead-spring model.

[0059] As described above, in deriving the dispersion state, the appropriate process condition derivation unit 122 uses a model that combines multiple molecular models of the raw polymer as a dispersion state verification model. The appropriate process condition derivation unit 122 defines predetermined process conditions (temperature, pressure) for this model and performs a structural relaxation simulation to obtain a thermodynamically stable dispersion state.

[0060] Since the structural relaxation simulation performed when verifying the dispersion state requires a larger system size and a longer simulation time than the interfacial adhesion verification model described below, it is desirable to use a model with a higher degree of coarse-graining than the interfacial adhesion verification model described below in order to complete the calculation within a realistic time. Therefore, the appropriate process condition derivation unit 122 performs the molecular simulation for deriving the second dispersion state using a simulation method with a higher degree of coarse-graining than the molecular simulation for deriving the interfacial adhesion.

[0061] Furthermore, as described above, in deriving the interfacial adhesion, the appropriate process condition derivation unit 122 uses, as the interfacial adhesion verification model, a model that simulates the state of the phase separation interface by joining a system consisting of one type of raw material polymer with a system consisting of another type of raw material polymer.

[0062] The optimum process condition derivation unit 122 defines predetermined process conditions (temperature, pressure) for this model, performs a structural relaxation simulation, and executes an interfacial adhesion simulation for the relaxed structure to calculate the interfacial adhesion at the phase separation interface. The interfacial adhesion simulation method may, for example, be a method of calculating the mechanical response until the structure is destroyed by deforming the system, or a method of calculating the interfacial adhesion energy from the difference in potential energy between a system consisting of a single phase and a system consisting of multiple phases.

[0063] Then, the appropriate process condition derivation unit 122 determines whether the stable dispersion state derived in step S202 matches the appropriate dispersion state received in step S003 of the manufacturing support processing by a predetermined amount or more, and whether the interfacial adhesion derived in step S202 is a predetermined value or more (step S203).

[0064] If the stable dispersion state and the proper dispersion state do not match by a predetermined amount or more, or if the interface adhesion is less than a predetermined value ("No" in step S203), the correction unit 123 changes the material recipe and process conditions using a method such as Newton's method, the calculus of variations, or random (step S204). Then, the correction unit 123 returns control to step S202, and executes step S202 using the changed material recipe and process conditions.

[0065] If the stable dispersion state and the appropriate dispersion state match to a predetermined degree or more and the interfacial adhesion is a predetermined value or more (if "Yes" in step S203), the input / output control unit 124 stores the material recipe in the appropriate material recipe 115 of the material information 111 and stores the process conditions in the appropriate process conditions 118 of the molding information 116 (step S205).

[0066] Then, the input / output control unit 124 displays the appropriate material recipe and the appropriate process conditions on the result screen (step S206).

[0067] The above is an example of the process flow for deriving optimal process conditions. The optimal process condition derivation process can derive material recipes and process conditions that achieve a degree of coincidence between the stable dispersion state and the optimal dispersion state and an interface adhesion of a predetermined value or greater.

[0068] On the results screen, the derived process conditions and material recipes are presented in order of ease of implementation (for example, lowest pressure, lowest temperature, or lowest flow rate), and the next most easily implemented combinations of process conditions and material recipes are presented as variations. The display order is not limited to this, and the combinations may be sorted by required characteristics (mechanical properties, thermal properties, cost characteristics, etc.). Furthermore, material recipes are presented as molecular structures (other ratios, etc., are presented in tables).

[0069] 8 is a diagram showing an example of the hardware configuration of the manufacturing support device 100. The manufacturing support device 100 can be realized as a general computer 900 including a processor 901, a hardware memory 902 such as a RAM (Random Access Memory), a storage 903 such as a hard disk drive (HDD) or a solid state drive (SSD), a reading device 905 for reading information from a portable storage medium 904 such as a CD (Compact Disk) or a DVD (Digital Versatile Disk), an input device 906 such as a keyboard, a mouse, a barcode reader, or a touch panel, an output device 907 such as a display, and a communication device 908 for communicating with other computers via a communication network such as a LAN or the Internet, or as a network system including a plurality of such computers 900. The reading device 905 may be capable of not only reading from the portable storage medium 904 but also writing to it.

[0070] The processor 901 is, for example, a CPU (Central Processing Unit) or a GPU (Graphics Processing Unit). The processor 901 performs various processes by executing various predetermined programs loaded from the storage 903 to the memory 902. The programs are, for example, application programs that can be executed on an OS (Operating System) program. The programs may be installed in the storage 903 from a portable storage medium 904 via a reading device 905, or may be downloaded from a network via a communication device 908 and executed by the processor 901.

[0071] For example, the processing unit 120, the appropriate dispersion state derivation unit 121, the appropriate process condition derivation unit 122, the correction unit 123, and the input / output control unit 124 can be realized by loading a program stored in storage 903 into memory 902 and executing it on the processor 901.

[0072] The input unit 130 can be realized by the processor 901 using the input device 906 and the communication device 908. The output unit 140 can be realized by the processor 901 using the output device 907 and the communication device 908. The storage unit 110 can be realized by the processor 901 using the memory 902 or the storage 903. The communication unit 150 can be realized by the processor 901 using the communication device 908.

[0073] The above is an example of the manufacturing support device 100 according to an embodiment of the present invention. Note that the present invention is not limited to the above-described example, and various modifications are included. For example, the above-described embodiment has been described in detail to clearly explain the present invention, and is not necessarily limited to an apparatus including all of the described configurations. It is possible to replace part of the configuration of an embodiment with another configuration, and it is also possible to add the configuration of another embodiment to the configuration of an embodiment. It is also possible to delete part of the configuration of an embodiment.

[0074] For example, in the first embodiment described above, the molecular dynamics simulation in the process of deriving optimal process conditions imposes a high processing load, and high-performance hardware resources are required to complete the process within a predetermined processing time. A second embodiment that reduces the processing load will be described below. Note that the manufacturing support system according to the second embodiment is basically the same as the manufacturing support system 1 according to the first embodiment described above, and the following description will focus on the differences.

[0075] Second Embodiment In the second embodiment, a model in which a parameter related to compatibility is added to the bead-spring model is used as the molecular model for simulating a stable dispersion state, and an all-atom model in which all atoms are explicitly treated, or a united-atom model in which hydrogen atoms in hydrocarbons are omitted, is used as the molecular model for simulating interfacial adhesion. In this case, when simulating interfacial adhesion of a raw material polymer containing a particularly highly polar functional group (polar group), a molecular model that takes both electrostatic interactions and van der Waals forces into consideration is used.

[0076] The bead spring model is a molecular model that can reduce the calculation load compared to the all-atom model or the united atom model because it treats molecules as atomic groups within a certain range, but its accuracy is slightly lower. Therefore, by using a compatibility parameter in the appropriate process condition derivation unit 122, it is possible to accurately calculate the dispersion state. This makes it possible to obtain an appropriate dispersion state in a short simulation time for molecular simulation of a stable dispersion state, which requires a large system size and long calculation time.

[0077] Furthermore, for the molecular simulation of interfacial adhesion, by using a molecular model that includes both electrostatic interaction parameters and van der Waals interaction parameters as described above, highly accurate results can be obtained that take into account the attractive potential between atoms and the entanglement of molecular chains. Therefore, the manufacturing support system 1 according to the second embodiment can derive the material recipe and process conditions necessary to achieve the desired dispersion state and interfacial adhesion with high accuracy and in a short simulation time.

[0078] Furthermore, in the first embodiment, the molecular dynamics simulation of interface adhesion in the process of deriving optimal process conditions imposes a high processing load, and high-performance hardware resources are required to complete the simulation within a predetermined processing time. A third embodiment that reduces the processing load will be described below. Note that the manufacturing support system according to the third embodiment is basically the same as the manufacturing support system 1 according to the first embodiment, and the following description will focus on the differences.

[0079] In the third embodiment, the geometric state of the entanglement of the molecular model at the interface obtained by the simulation of the stable dispersion state is maintained, and the scale of the molecular model is converted to a molecular model with higher resolution, and this converted model is used as the initial structure in the simulation of the interfacial adhesion. This makes it possible to shorten the time required for the structural relaxation simulation when performing the simulation of the interfacial adhesion.

[0080] Polymer blends can also improve the properties of environmentally friendly plastics, such as recycled plastics and bioplastics, potentially expanding their range of applications. However, if the derived material recipes or process conditions have a high environmental impact, this may not achieve the goal of reducing the environmental impact of plastic waste. The first embodiment does not specifically address this issue, so a fourth embodiment will be described below, which prevents the derivation of material recipes or process conditions with a high environmental impact when improving the properties of recycled plastics or bioplastics. The manufacturing support system according to the fourth embodiment is essentially the same as the manufacturing support system 1 according to the first embodiment, and differences will be mainly described.

[0081] In the fourth embodiment, in the determination of step S203 of the optimum process condition derivation process, the optimum process condition derivation unit 122 uses not only the dispersion state and the interfacial adhesion but also the environmental load caused by the production of the polymer blend as a target variable. In this way, the optimum process condition derivation unit 122 can correct the material recipe and process conditions until the environmental load becomes equal to or less than a predetermined value.

[0082] The environmental impact of polymer blend production can be expressed as the sum of the environmental impact of raw polymer production and the environmental impact of blending. The environmental impact of raw polymer production can be obtained by the appropriate process condition derivation unit 122 from a predetermined database. Alternatively, it can be calculated by multiplying the environmental impact intensity data (e.g., carbon dioxide emission intensity data) entered by the user by the input amount of raw polymer. The environmental impact of polymer blend production is calculated by the appropriate process condition derivation unit 122 estimating the amount of power consumption from the process conditions and multiplying it by a predetermined emission coefficient for power consumption (a coefficient that depends on the country or region where blending is performed).

[0083] In addition, on the results screen, the display order of the derived process conditions and material recipes can be sorted by environmental impact.

[0084] According to the manufacturing support system of the fourth embodiment, when improving the properties of recycled plastics or bioplastics, it is possible to prevent the derivation of material recipes or process conditions that have a high environmental impact.

[0085] Some or all of the above-described units, configurations, functions, processing units, etc. may be implemented in hardware, for example, by designing them as integrated circuits. Furthermore, the above-described units, configurations, functions, etc. may be implemented in software by a processor interpreting and executing a program that implements each function. Information such as the programs, tables, and files that implement each function can be stored in a memory, a recording device such as a hard disk, or a recording medium such as an IC card, SD card, or DVD.

[0086] It should be noted that the control lines and information lines in the above-described embodiments are those considered necessary for the explanation, and do not necessarily show all the control lines and information lines in the product. In reality, it can be considered that almost all components are interconnected. The present invention has been described above, focusing on the embodiments.

[0087] 1: manufacturing support system, 100: manufacturing support device, 110: memory unit, 111: material information, 112: basic structure of raw polymer, 113: material recipe, 114: macroscopic characteristics, 115: appropriate material recipe, 116: molding information, 117: process conditions, 118: appropriate process conditions, 120: processing unit, 121: appropriate dispersion state derivation unit, 122: appropriate process condition derivation unit, 123: correction unit, 124: input / output control unit, 130: input unit, 140: output unit, 150: communication unit, 200: external device.

Claims

1. A manufacturing support system using one or more computers, the computer comprising: an input / output control unit that accepts the specification of multiple types of raw material polymers as a material recipe; an appropriate dispersion state derivation unit that uses the material recipe to derive a dispersion state of a polymer blend that satisfies specified required characteristics; and an appropriate process condition derivation unit that derives, among the dispersion states, process conditions under which interfacial adhesion is equal to or greater than a specified value, and the material recipe for that process condition.

2. A manufacturing support system as described in claim 1, characterized in that the appropriate dispersion state derivation unit generates a dispersion state by mixing the specified raw material polymers, performs a continuum simulation to calculate the properties of the polymer blend in the dispersed state, and derives the dispersion state in which the properties of the polymer blend satisfy the specified required properties as the appropriate dispersion state.

3. A manufacturing support system as described in claim 1, wherein the appropriate process condition derivation unit derives a second dispersion state and interfacial adhesion when blended under specified process conditions for the dispersion state that satisfies the specified required characteristics by molecular simulation, and corrects the material recipe and the process conditions so that the dispersion state derived by the appropriate dispersion state derivation unit matches the second dispersion state to a specified degree or more and the interfacial adhesion is a specified value or more, and an input / output control unit outputs the material recipe and the process conditions corrected by the correction unit.

4. A manufacturing support system as described in claim 1, wherein the appropriate dispersion state derivation unit generates a dispersion state by mixing the specified raw material polymers and performs a continuum simulation to calculate the characteristics of the polymer blend in the dispersed state, and derives the dispersion state in which the characteristics of the polymer blend satisfy the specified required characteristics as an appropriate dispersion state, and the appropriate process condition derivation unit derives a second dispersion state and interfacial adhesion when the dispersion state satisfying the specified required characteristics is blended under specified process conditions by molecular simulation, and a correction unit corrects the material recipe and the process conditions so that the dispersion state derived by the appropriate dispersion state derivation unit and the second dispersion state match to a specified degree or more and the interfacial adhesion is a specified value or more, and an input / output control unit outputs the material recipe and the process conditions corrected by the correction unit.

5. A manufacturing support system as described in claim 3 or 4, characterized in that the appropriate process condition derivation unit performs the molecular simulation for deriving the second dispersion state by a simulation method having a higher degree of coarse-graining than the molecular simulation for deriving the interfacial adhesion.

6. A manufacturing support system as claimed in claim 3 or 4, characterized in that the appropriate process condition derivation unit uses a molecular model to which a compatibility parameter is assigned in the molecular simulation for deriving the second dispersion state.

7. A manufacturing support system as claimed in claim 3 or 4, characterized in that in the molecular simulation for deriving the interfacial adhesion, the appropriate process condition derivation unit uses a molecular model to which both electrostatic interaction parameters and van der Waals interaction parameters are assigned for the raw material polymer containing polar groups.

8. A manufacturing support system as described in claim 3 or 4, characterized in that the appropriate process condition derivation unit converts the geometric state of entanglement at the interface obtained from the results of the molecular simulation that derives the second dispersion state into a molecular model with higher resolution while maintaining the geometric state, and uses the molecular model as an initial structure when performing the molecular simulation of the interface adhesion.

9. A manufacturing support system as described in claim 1, characterized in that the material recipe includes any one or a combination of the functional group structure of the raw material polymer side chain, the substitution degree of the functional group, the molecular structure of the additive, and the mixing ratio of the additive.

10. The manufacturing support system according to claim 1, wherein the process conditions include any one or a combination of temperature, pressure, and flow rate.

11. A manufacturing support system as described in claim 3 or 4, characterized in that the correction unit corrects the material recipe and the process conditions based on the material recipe and the process conditions so that the environmental impact level associated with the production of the polymer blend is below a predetermined value.

12. A manufacturing support device comprising: an input / output control unit that accepts the specification of multiple types of raw material polymers as a material recipe; an appropriate dispersion state derivation unit that uses the material recipe to derive a dispersion state of a polymer blend that satisfies specified required characteristics; and an appropriate process condition derivation unit that derives process conditions, among the dispersion state, that result in interfacial adhesion of a specified value or more, and the material recipe for that process condition.

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