Dispersibility evaluation method, screening method, dispersibility prediction method, and proposal system

Abstract

To provide a dispersibility evaluation method, a screening method and a dispersibility prediction method of a dispersion system having three components of a powder, a dispersant and a dispersion medium as constituent components, and to provide a system capable of proposing a combination of the constituent components having high dispersibility.SOLUTION: One constituent component is specified from a powder, a dispersion medium, and a dispersant which are constituent components of a dispersion system, and then, with respect to a dispersant-treated powder obtained by surface-treating a powder with a dispersant in advance and an untreated powder for a plurality of constituent components, a mean particle diameter in a dispersion obtained by mixing each of the powders with the dispersion medium is measured, the suitability of each constituent component is determined according to a parameter based on the mean particle diameter, and a Hansen sphere forming a boundary between the two is obtained. The dispersibility is evaluated based on the distance between the center position coordinate of the Hansen sphere and the position coordinate of the Hansen solubility parameter of the specific component to be evaluated.SELECTED DRAWING: Figure 2

Description

[Technical Field]

[0001] The present invention relates to a dispersibility evaluation method, a screening method, a dispersibility prediction method, and a proposal system. [Background technology]

[0002] Cosmetics, pharmaceuticals, and other chemical products contain a wide variety of ingredients, and the combinations of these ingredients are quite diverse. Depending on the combination of ingredients, there are problems such as poor compatibility and dispersibility, which can lead to separation or aggregation of the ingredients. To address this issue, developers have actually prepared dispersions that combine a wide variety of ingredients, and evaluated and verified them, which required considerable development costs and time.

[0003] Therefore, in recent years, methods for evaluating compatibility and dispersibility without conducting verification experiments have been investigated. For example, Patent Document 1 discloses a method for evaluating compatibility of a composite material combining a surface-modified inorganic powder and an organic material, in which a Hansen sphere is created based on the results of a dissolution experiment of the organic material with a known solvent, and the center coordinates of the sphere are used as the Hansen solubility parameter of the organic material, based on the difference in the solubility parameter of the surface-modified portion of the surface modifier relative to the Hansen solubility parameter.

[0004] Furthermore, Patent Document 2 discloses a method for producing a dispersion containing multiple types of solid particles, water, and a liquid other than water as constituent components, in which the Hansen solubility parameters of each constituent component are used to select a combination of components that satisfies predetermined parameters in order to obtain a highly dispersible dispersion.

[0005] However, the Hansen sphere, which is created based on the solubility of an organic solvent and a surface modifier, as in the method described in Patent Document 1, does not represent the appropriate range for powder dispersion and is not suitable as an indicator of dispersibility in a three-component system of a powder, a surface modifier, and an organic solvent. Furthermore, the method described in Patent Document 2 evaluates the compatibility and dispersibility of a two-component system of solid particles and a solvent (water and a liquid other than water), and it is difficult to evaluate the compatibility and dispersibility of a three-component system that also includes a dispersant, etc. [Prior art documents] [Patent documents]

[0006] [Patent Document 1] Japanese Patent Application Publication No. 2019-19214 [Patent Document 2] Japanese Patent Publication No. 2021-133671 Summary of the Invention [Problem to be solved by the invention]

[0007] An object of the present invention is to provide a method for evaluating the dispersibility of a dispersion system having three components: a powder, a dispersant, and a dispersion medium. [Means for solving the problem]

[0008] As a result of intensive research into solving the above-mentioned problems, the inventors of the present invention have discovered that by identifying one component from the components of a dispersion system, namely powder, dispersion medium, and dispersant, and then mixing a dispersant-treated powder, in which the powder has been surface-treated with a dispersant, and an untreated powder, with each of the components, with a dispersion medium, the average particle diameter of the resulting dispersion is measured, the suitability of each component is determined according to parameters based on the average particle diameter, the Hansen sphere that forms the boundary between the two is calculated, and this is used as an index to evaluate the dispersibility of a dispersion system consisting of three components: powder, dispersant, and dispersion medium, and this has led to the completion of the present invention.

[0009] The means for solving the above problems include the following aspects. [1] A method for evaluating the dispersibility of a dispersion system in which a powder is dispersed in a dispersion medium in the presence of a dispersant, a step of selecting a plurality of components for one specific component identified from among the components of the dispersion system, namely, powder, dispersion medium, and dispersant, and selecting one component for each of the remaining two components, and preparing a treated powder dispersion obtained by mixing a dispersant-treated powder, which has been previously surface-treated with a dispersant, with the dispersion medium, and an untreated powder dispersion obtained by mixing an untreated powder that has not been surface-treated with a dispersant with the dispersion medium; calculating a parameter based on the average particle size of the treated powder in the treated powder dispersion and the average particle size of the untreated powder in the untreated powder dispersion; A step of classifying each specific component into a conforming specific component and an inconforming specific component with respect to the standard value based on the calculated parameters; Plotting the position coordinates of the Hansen solubility parameters of each specific component in the three-dimensional space of the Hansen solubility parameters (δd, δp, δh); and determining a Hansen sphere that includes the position coordinates of the compatible specific components and does not include the position coordinates of the incompatible specific components. [2] The dispersibility evaluation method according to [1] further comprises a step of calculating the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of the specific component to be evaluated, and evaluating the dispersibility of the specific component to be evaluated based on the distance. [3] A method for screening highly dispersible components in a dispersion system in which a powder is dispersed in a dispersion medium in the presence of a dispersant, comprising: a step of selecting a plurality of components for one specific component identified from among the components of the dispersion system, namely, powder, dispersion medium, and dispersant, and selecting one component for each of the remaining two components, and preparing a treated powder dispersion obtained by mixing a dispersant-treated powder, which has been previously surface-treated with a dispersant, with the dispersion medium, and an untreated powder dispersion obtained by mixing an untreated powder that has not been surface-treated with a dispersant with the dispersion medium; calculating a parameter based on the average particle size of the treated powder in the treated powder dispersion and the average particle size of the untreated powder in the untreated powder dispersion; A step of classifying each specific component into a conforming specific component and an inconforming specific component with respect to the standard value based on the calculated parameters; Plotting the position coordinates of the Hansen solubility parameters of each specific component in the three-dimensional space of the Hansen solubility parameters (δd, δp, δh); A method for screening specific components, comprising the step of determining a Hansen sphere that includes the position coordinates of compatible specific components and does not include the position coordinates of incompatible specific components. [4] The screening method according to [3] further comprises a step of calculating the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of the candidate specific component, and selecting the candidate specific component based on the distance. [5] A method for predicting dispersibility of a dispersion system in which a powder is dispersed in a dispersion medium in the presence of a dispersant, comprising: a step of selecting a plurality of components for one specific component identified from among the components of the dispersion system, namely, powder, dispersion medium, and dispersant, and selecting one component for each of the remaining two components, and preparing a treated powder dispersion obtained by mixing a dispersant-treated powder, which has been previously surface-treated with a dispersant, with the dispersion medium, and an untreated powder dispersion obtained by mixing an untreated powder that has not been surface-treated with a dispersant with the dispersion medium; calculating a parameter based on the average particle size of the treated powder in the treated powder dispersion and the average particle size of the untreated powder in the untreated powder dispersion; A step of classifying each specific component into a conforming specific component and an inconforming specific component with respect to the standard value based on the calculated parameters; Plotting the position coordinates of the Hansen solubility parameters of each specific component in the three-dimensional space of the Hansen solubility parameters (δd, δp, δh); and determining a Hansen sphere that includes the position coordinates of the matched specific components and does not include the position coordinates of the unmatched specific components. [6] The method for predicting dispersibility according to [5] further comprises a step of calculating the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of the specific component to be predicted, and predicting the dispersibility of the specific component to be predicted based on the distance. [7] A proposed system for proposing highly dispersible components in a dispersion system in which powder is dispersed in a dispersion medium in the presence of a dispersant, an input section for inputting a measured value of the average particle diameter of the treated powder in the treated powder dispersion and a measured value of the average particle diameter of the untreated powder in the untreated powder dispersion, the treated powder dispersion being obtained by selecting a plurality of components for one specific component identified from the components of the dispersion system, namely, powder, dispersion medium, and dispersant, and selecting one type of component for each of the remaining two components, and mixing a dispersant-treated powder, which has been previously surface-treated with a dispersant, with a dispersion medium, and an untreated powder dispersion being obtained by mixing an untreated powder that has not been surface-treated with a dispersant with a dispersion medium; a first calculation unit that calculates parameters based on the input measured values ​​of the average particle diameter of the treated powder and the measured values ​​of the average particle diameter of the untreated powder, and based on the parameters, classifies each specific component into a conforming specific component and an incongruent specific component with respect to the reference value, and plots the position coordinates of the Hansen solubility parameters of each specific component in the three-dimensional space of the Hansen solubility parameters (δd, δp, δh) to obtain a Hansen sphere that includes the position coordinates of the conforming specific component and does not include the position coordinates of the incongruent specific component; A storage unit for storing a Hansen solubility parameter database that stores Hansen solubility parameter information of specific components; A second calculation unit that calculates the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of a specific component; a first output unit that outputs the distance; The proposed system comprises: [8] The proposal system according to [7], comprising: an identification unit that identifies a proposed specific component from the Hansen solubility parameter database based on the calculated distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of the specific component; and a second output unit that outputs the proposed specific component. [9] The method of identifying the proposed specific constituent from the Hansen solubility parameter database identifies a specific constituent such that the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of the specific constituent is less than the radius of the Hansen sphere. [8] The proposed system described in. [Effects of the Invention]

[0010] The present invention makes it possible to evaluate or predict with high accuracy the dispersibility of one arbitrarily selected component in a dispersion system consisting of three components: powder, dispersant, and dispersion medium, with one type of component selected for each of the other two components, and based on this, it is possible to screen or propose components with high dispersibility in the dispersion system. [Brief explanation of the drawings]

[0011] [Figure 1] Figure 1 is a schematic diagram of the proposed system. [Figure 2] FIG. 2 shows the Hansen ball of Example 1. [Figure 3] FIG. 3 shows the Hansen ball of Example 2. [Figure 4] FIG. 4 shows the Hansen ball of Example 3. [Figure 5] FIG. 5 shows the Hansen ball of Example 4. [Figure 6] FIG. 6 shows the Hansen ball of Example 5. [Figure 7] FIG. 7 shows the Hansen ball of Example 6. [Figure 8] FIG. 8 shows the Hansen ball of Comparative Example 1. [Figure 9] FIG. 9 shows the Hansen ball of Comparative Example 2. [Figure 10] FIG. 10 shows the Hansen ball of Comparative Example 3. [Figure 11] FIG. 11 shows the Hansen ball of Comparative Example 4. [Figure 12] FIG. 12 shows the Hansen ball of Comparative Example 5. [Figure 13] FIG. 13 shows the Hansen ball of Comparative Example 6. [Figure 14] FIG. 14 shows the correlation between the distance (Ra) calculated from the central position coordinates of the Hansen sphere obtained in Example 1 and the position coordinates of the Hansen solubility parameters of each dispersion medium and the average particle size of the dispersant-treated powder. [Figure 15] FIG. 15 shows the correlation between the distance (Ra) calculated from the central position coordinates of the Hansen sphere obtained in Comparative Example 1 and the position coordinates of the Hansen solubility parameters of each dispersion medium and the average particle size of the dispersant-treated powder. DETAILED DESCRIPTION OF THE INVENTION

[0012] The present invention will be described in detail below. The following description of the present invention may be based on preferred embodiments of the present invention, but the present invention is not limited to such embodiments. In this specification, unless otherwise specified, the symbol "to" indicating a range of values ​​is used to mean that the values ​​before and after it are included as the lower and upper limits.

[0013] [First embodiment] The dispersibility evaluation method, screening method, and dispersibility prediction method of the present invention (hereinafter also referred to as "dispersibility evaluation method, etc.") first selects multiple components for one specific component identified from the components of the dispersion system: powder, dispersant, and dispersion medium, and then selects one type of component for each of the remaining two components. Below, we will explain the dispersibility evaluation method, etc. when a dispersion medium is selected as the specific component.

[0014] (Preparation process) <Dispersion medium> The dispersion medium is not particularly limited, and examples thereof include inorganic solvents and organic solvents. Examples of inorganic solvents include water and aqueous solutions of acids, alkalis, or salts thereof dissolved in water. Specific examples of acids, alkalis, or salts thereof include hydrochloric acid, sulfuric acid, phosphoric acid, nitric acid, carbonic acid, sodium hydroxide, potassium hydroxide, ammonium hydroxide, calcium hydroxide, sodium sulfate, etc., and these can be used alone or in combination. Examples of organic solvents include alcohols such as methanol, ethanol, isopropyl alcohol, and 1-methoxy-2-propanol alcohol; ketones such as acetone, methyl ethyl ketone, and methyl isobutyl ketone; aromatic hydrocarbons such as toluene and xylene; esters such as ethyl acetate and butyl acetate; alkanes such as hexane, cyclohexane, heptane, decane, and hexadecane; halogens such as methyl chloride, methylene chloride, chloroform, and carbon tetrachloride; ethers such as tetrahydroxyfuran, dioxane, ethylene glycol diethyl ether, and ethylene glycol monobutyl ether; nitriles such as acetonitrile and propionitrile; amides such as dimethylformamide and dimethylacetamide; and sulfoxides such as dimethyl sulfoxide. Any medium used in cosmetics can also be used, regardless of its viscosity, origin, or other physical properties. Examples include silicone oils, hydrocarbon oils, ether oils, ester oils, glyceride oils, natural animal and vegetable oils, semi-synthetic oils, monohydric and dihydric or higher alcohols, polyoxyalkylene ethers, sugar alcohols, etc., and these can be used alone or in combination.

[0015] <Powder> The powder of the dispersant-treated powder is not particularly limited, and examples thereof include white inorganic pigments such as titanium oxide, zinc oxide, cerium oxide, and barium sulfate; colored inorganic pigments such as iron oxide, carbon black, titanium-titanium oxide sintered product, chromium oxide, chromium hydroxide, Prussian blue, and ultramarine; white inorganic body powders such as talc, mica, sericite, silicic anhydride, synthetic phlogopite, kaolin, silicon carbide, bentonite, smectite, aluminum oxide, magnesium oxide, zirconium oxide, antimony oxide, diatomaceous earth, aluminum silicate, magnesium aluminum metasilicate, calcium silicate, barium silicate, magnesium silicate, calcium carbonate, magnesium carbonate, hydroxyapatite, and boron nitride; polyethylene resins, polyester resins, fluorine-based resins, cerium carbonate, and the like. Examples of suitable organic powders include copolymer resins such as cellulose-based resins and styrene-acrylic copolymer resins, organic polymer resin powders such as polypropylene-based resins, metal soap powders, organic low-molecular-weight powders such as N-acylysine, starch powders such as acrylic starch and rice starch, natural organic powders such as nylon powder, glass powder, silk powder, cellulose powder, and dextrin powder, organic pigment powders such as Red No. 201, Red No. 202, Red No. 205, Red No. 226, Red No. 228, Orange No. 203, Orange No. 204, Blue No. 404, Yellow No. 401, Red No. 3, Red No. 104, Red No. 106, Orange No. 205, Yellow No. 4, Yellow No. 5, Green No. 3, and Blue No. 1, silicone powder, polymethyl methacrylate powder, polystyrene powder, and urethane powder. These may be used alone or in combination.

[0016] The shape, structure, particle size, etc. of the powder are not particularly limited, and examples of the shape include spherical, elliptical, plate-like, needle-like, spindle-like, etc., examples of the structure include porous, non-porous, etc., and examples of the particle size include fine particles, pigment-grade, etc. Furthermore, the powder may be surface-treated in part or in whole with a commonly known treating agent such as phospholipids, amino acids, amino acid derivatives, ceramides, dextrin derivatives, silicone compounds, fatty acid metal salts, fluorine compounds, surfactants, etc.

[0017] <Dispersant> The dispersant used for the surface treatment of the dispersant-treated powder is not particularly limited, and examples thereof include surfactants such as anionic surfactants, cationic surfactants, amphoteric surfactants, and nonionic surfactants, and polymeric emulsifying dispersants such as polyhydroxystearic acid and acrylic-silicone graft copolymers, and these can be used alone or in combination of two or more.

[0018] Examples of anionic surfactants include fatty acids such as stearic acid and lauric acid and their inorganic and organic salts, alkylbenzene sulfates, alkyl sulfonates, α-olefin sulfonates, dialkyl sulfosuccinates, α-sulfonated fatty acid salts, acylmethyl taurines, N-methyl-N-alkyl taurines, polyoxyethylene alkyl ether sulfates, polyoxyethylene alkyl phenyl ether sulfates, alkyl phosphates, polyoxyethylene alkyl ether phosphates, polyoxyethylene alkyl phenyl ether phosphates, N-acyl amino acid salts, N-acyl-N-alkyl amino acid salts, o-alkyl-substituted malates, and alkyl sulfosuccinates. Examples of cationic surfactants include alkylamine salts, polyamine and alkanolamine fatty acid derivatives, alkyl quaternary ammonium salts, and cyclic quaternary ammonium salts. Examples of amphoteric surfactants include amino acid and betaine-type carboxylic acids, sulfate esters, sulfonic acids, phosphate esters, and phospholipids. Examples of nonionic surfactants include glycerin fatty acid esters and alkylene glycol adducts thereof, polyglycerin fatty acid esters and alkylene glycol adducts thereof, propylene glycol fatty acid esters and alkylene glycol adducts thereof, sorbitan fatty acid esters and alkylene glycol adducts thereof, sorbitol fatty acid esters and alkylene glycol adducts thereof, polyalkylene glycol fatty acid esters, sucrose fatty acid esters, polyoxyalkylene alkyl ethers, glycerin alkyl ethers, polyoxyethylene alkylphenyl ethers, polyoxyethylene hydrogenated castor oil, alkylene glycol adducts of lanolin, polyoxyalkylene alkyl co-modified silicones, and polyether-modified silicones.

[0019] Polyhydroxystearic acid is a polymer of 12-hydroxystearic acid, and its degree of polymerization is not particularly limited. For example, it may have a degree of polymerization of 4 to 10. Examples of the acrylic-silicone graft copolymer include (acrylates / dimethicone) copolymer, (acrylates / stearyl acrylate / dimethicone methacrylate) copolymer, (acrylates / ethylhexyl acrylate / dimethicone methacrylate) copolymer, and (acrylates / behenyl acrylate / dimethicone methacrylate) copolymer.

[0020] Examples of polymeric emulsifying dispersants include natural polymer compounds such as acrylic acid-alkyl methacrylate copolymer, polyvinylpyrrolidone, polyvinyl alcohol, polyacrylamide, xanthan gum, gum arabic, and cellulose nanofiber, acrylate copolymer, and carbomer.

[0021] <Dispersant-treated powder> The dispersant-treated powder contained in the treated powder dispersion can be obtained by treating part or all of the powder surface with a dispersant. The surface treatment method of the present invention includes known surface treatment methods such as dry treatment and wet treatment, as well as a method of stirring and mixing in a solvent containing a powder and a dispersant. In dry treatment, the surface treatment can be performed by mixing and dispersing the dispersant and powder. In wet treatment, the surface treatment can be performed by dissolving the dispersant in a solvent in which the dispersant is soluble, adding the powder to the mixture and mixing and dispersing, and then removing the solvent from the resulting mixture. Examples of the method of stirring and mixing in a solvent containing a powder and a dispersant include stirring and mixing using ultrasound, a mill, a mixer, etc. The solvent can be the same components as the dispersion medium described above.

[0022] <Untreated powder> The powder of the untreated powder is similar to the powder of the dispersant-treated powder described above, and is not treated with the dispersant.

[0023] The dispersibility evaluation method of the present invention includes a step (hereinafter referred to as the "preparation step") of selecting a plurality of components from the dispersion medium as a specific constituent, selecting one component each for the powder and dispersant, and mixing each dispersion medium with a dispersant-treated powder in which the powder has been surface-treated with a dispersant in advance to prepare a treated powder dispersion, and mixing each dispersion medium with an untreated powder that has not been surface-treated with a dispersant to prepare an untreated powder dispersion (hereinafter referred to as the "preparation step"). The number of components selected as the dispersion medium is not particularly limited, but from the viewpoint of evaluation accuracy, etc., three or more types are preferred, and five or more types are more preferred.

[0024] The method for preparing the treated powder dispersion and the untreated powder dispersion is not particularly limited as long as it is possible to mix and disperse the dispersant-treated powder and the untreated powder in the respective dispersion media. For example, a stirrer, an ultrasonic disperser, a homogenizer, a bead mill, a disperser, or the like may be used, or a combination of these may be used.

[0025] The contents of the treated powder and untreated powder in the treated powder dispersion and untreated dispersion are not particularly limited, but are preferably, for example, 0.01 to 20.0 mass %, more preferably 0.1 to 10.0 mass %.

[0026] (calculation process) The dispersibility evaluation method etc. of the present invention includes, after the preparation step, a step of calculating a parameter based on the average particle size of the treated powder in the treated powder dispersion and the average particle size of the untreated powder in the untreated powder dispersion (hereinafter referred to as the "calculation step").

[0027] The method for measuring the average particle diameter of the dispersant-treated powder and the untreated powder is not particularly limited, and examples thereof include image analysis of electron microscope images, laser diffraction / scattering, and dynamic light scattering.

[0028] Examples of parameters based on the average particle size of the dispersant-treated powder and the average particle size of the untreated powder include the difference between the average particle size of the dispersant-treated powder and the average particle size of the untreated powder, the ratio of the average particle size of the dispersant-treated powder to the average particle size of the untreated powder, and the ratio of the difference between the average particle size of the dispersant-treated powder and the average particle size of the untreated powder to the average particle size of the untreated powder.

[0029] (Discrimination process) The dispersibility evaluation method etc. of the present invention includes a step of classifying each dispersion medium into a suitable dispersion medium and an incompatible dispersion medium with respect to a reference value based on the parameters calculated in the calculation step (hereinafter referred to as the "classification step").

[0030] The reference value for distinguishing between a compatible and an incompatible dispersion medium is not particularly limited. When the difference between the average particle size of the dispersant-treated powder and the average particle size of the untreated powder (average particle size of the dispersant-treated powder - average particle size of the untreated powder) is used as the parameter, any value can be set, such as less than 0 nm, -10 nm or less, -20 nm or less, or -30 nm or less. When the ratio of the average particle size of the dispersant-treated powder to the average particle size of the untreated powder is calculated as the reference value, any value can be set, such as less than 100%, 90% or less, 80% or less, or 70% or less. When the ratio of the difference between the average particle size of the dispersant-treated powder and the average particle size of the untreated powder to the average particle size of the untreated powder is calculated as the reference value, any value can be set, such as less than 0%, -1% or less, -5% or less, -10% or less, -15% or less, -20% or less, or -25% or less. If the dispersion medium satisfies an arbitrarily set standard value, it is determined to be a suitable dispersion medium, and if the standard value is not met, it is determined to be an incompatible dispersion medium.

[0031] (plotting process) The dispersibility evaluation method etc. of the present invention includes, after the discrimination step, a step of plotting the position coordinates of the Hansen solubility parameters of each dispersion medium in the three-dimensional space of the Hansen solubility parameters (δd, δp, δh) (hereinafter referred to as the "plotting step").

[0032] The Hansen Solubility Parameter (HSP) is the Hildebrand solubility parameter divided into three components: the London dispersion term (δd), the dipole-dipole term (δp), and the hydrogen bonding term (δh), and is expressed as a position coordinate in three-dimensional space.

[0033] The Hansen solubility parameters of each dispersion medium may be, for example, values ​​described in "Hansen Solubility Parameters: A Users Handbook" by Charles M. Hansen, or values ​​registered in the database of HSPiP (Hansen Solubility Parameters in Practice) software. For dispersion media whose Hansen solubility parameters are unknown, values ​​estimated from the structural formula using, for example, the above-mentioned HSPiP software, or values ​​calculated using the Hansen solubility sphere method may be used. Plots of Hansen solubility parameters can be made using, for example, the above-mentioned HSPiP software.

[0034] (The process of finding Hansen balls) The dispersibility evaluation method of the present invention includes, after the plotting step, a step of determining a Hansen sphere that includes the Hansen solubility parameters of the compatible dispersion medium but does not include the Hansen solubility parameters of the incompatible dispersion medium (hereinafter referred to as the "step of determining the Hansen sphere"). The Hansen sphere can be determined, for example, by using the above-mentioned HSPiP software.

[0035] (Evaluation process) The dispersibility evaluation method of the present invention may further include other steps in addition to the steps described above. The other steps preferably include a step of calculating the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of the dispersion medium to be evaluated, and evaluating the dispersibility of the dispersion medium based on the distance (hereinafter referred to as the "evaluation step").

[0036] The distance (Ra) between the position coordinates (δd1, δp1, δh1) of the center of the Hansen sphere and the position coordinates (δd2, δp2, δh2) of the Hansen solubility parameters of the dispersion medium to be evaluated can be calculated using the following formula. Ra = [4(δd2-δd1) 2 +(δp2-δp1) 2 +(δh2-δh1) 2 ] 1 / 2 (formula)

[0037] The Hansen solubility parameter of the dispersion medium to be evaluated can be a value described in the above-mentioned literature or a value registered in a database. If the Hansen solubility parameter of the dispersion medium to be evaluated is unknown, a value calculated by the above-mentioned method can be used. The smaller the Ra value calculated by the above formula, the higher the dispersibility of the dispersion medium to be evaluated. The reference value for Ra can be set arbitrarily, but from the perspective of evaluation accuracy, it is preferable to set it to be equal to or less than the radius of the Hansen sphere (Ra≦radius of the Hansen sphere (Ro)).

[0038] (Selection process) The screening method of the present invention includes the above-mentioned preparation step, calculation step, discrimination step, plotting step, and step of determining the Hansen sphere, and preferably includes, as another step, a step of calculating the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameters of the candidate dispersants, and selecting candidate specific dispersants based on the distance (hereinafter referred to as the "selection step").

[0039] The method for calculating the distance (Ra) between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameters of the candidate dispersion medium in the selection process and the Hansen solubility parameters of the candidate dispersion medium are the same as those in the evaluation process. The reference value of Ra calculated by the above formula can be set arbitrarily. For example, by setting it to be equal to or less than the radius of the Hansen sphere (Ra≦radius of the Hansen sphere (Ro)), candidate dispersion mediums with high dispersibility can be selected with higher accuracy.

[0040] (Prediction process) The dispersibility prediction method of the present invention includes the above-mentioned preparation step, calculation step, discrimination step, plotting step, and step of determining the Hansen sphere, and preferably further includes, as other steps, a step of calculating the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameters of the dispersion medium to be predicted, and predicting the dispersibility of the dispersion medium to be predicted based on said distance (hereinafter referred to as the "prediction step").

[0041] The method for calculating the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameters of the candidate dispersion medium in the prediction step, and the Hansen solubility parameters of the candidate dispersion medium, are the same as those in the evaluation step and selection step. The smaller the value of Ra calculated by the above formula, the higher the dispersibility of the dispersion medium being evaluated can be predicted to be. The reference value of Ra can be set arbitrarily, but from the perspective of prediction accuracy, it is preferable to set it to be equal to or less than the radius of the Hansen sphere (Ra≦radius of the Hansen sphere (Ro)).

[0042] [Second embodiment] Next, a method for evaluating dispersibility when a specific component is used as a dispersant will be described. Note that a description of parts common to the first embodiment will be omitted, and only parts different from the first embodiment will be described.

[0043] In the preparation process, for the dispersant, which is a specific constituent component, a plurality of components were selected from the above dispersants, and for the powder and dispersion medium, one component each was selected from the above powder and dispersion medium, and the average particle diameter was measured from a treated powder dispersion obtained by mixing a dispersant-treated powder, in which the powder was previously treated with each dispersant, with the dispersion medium, and from an untreated powder dispersion obtained by mixing an untreated powder not treated with a dispersant with the dispersion medium, in the same manner as in the first embodiment.

[0044] This is the same as the first embodiment except that in the discrimination step, each dispersant is discriminated into a suitable dispersant and an incompatible dispersant with respect to the reference value based on the calculated parameters.

[0045] In the plotting step, the position coordinates of the Hansen solubility parameters of each dispersant are plotted in the three-dimensional space of the Hansen solubility parameters, which is the same as in the first embodiment.

[0046] The process is the same as the first embodiment except that in the step of determining the Hansen sphere, the Hansen sphere containing the Hansen solubility parameters of the compatible dispersant and not containing the Hansen solubility parameters of the incompatible dispersant is determined.

[0047] In the evaluation step, the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of the dispersant to be evaluated was calculated, and the dispersibility of the dispersant was evaluated based on this distance, which was the same as in the first embodiment. In the selection process, the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of the candidate dispersant was calculated, and the candidate dispersant was selected based on this distance, which was the same as in the first embodiment. In the prediction process, the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of the predicted dispersant is calculated, and the dispersibility of the predicted dispersant is predicted based on this distance. This is the same as the first embodiment.

[0048] [Third embodiment] Next, a method for evaluating dispersibility when the specific constituent component is a powder will be described. Note that the description of the points common to the first and second embodiments will be omitted, and only the points different from the first and second embodiments will be described.

[0049] In the preparation process, for the powders that are specific constituent components, multiple components are selected from the above powders, and for the dispersion medium and dispersant, one component each is selected from the above dispersion medium and dispersant, and each powder is pre-treated with a dispersant to prepare a dispersant-treated powder, which is mixed with the dispersion medium to prepare a treated powder dispersion, and each untreated powder not treated with a dispersant is mixed with the dispersion medium to prepare an untreated powder dispersion, which is prepared in the same manner as the first and second embodiments.

[0050] The process is the same as the first embodiment except that in the discrimination step, each powder is discriminated into a conforming powder or a non-conforming powder with respect to the reference value based on the calculated parameters.

[0051] In the plotting step, the position coordinates of the Hansen solubility parameters of each powder were plotted, which was the same as in the first and second embodiments.

[0052] The process is the same as the first and second embodiments except that in the step of determining the Hansen sphere, the Hansen sphere is determined to include the Hansen solubility parameters of the compatible powder and not include the Hansen solubility parameters of the incompatible powder.

[0053] In the evaluation step, the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of the powder to be evaluated is calculated, and the dispersibility of the powder to be evaluated is evaluated based on this distance, which is the same as the first and second embodiments. The selection process is the same as the first and second embodiments except that the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameters of the candidate powders is calculated, and the candidate powders are selected based on this distance. In the prediction step, the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of the powder to be predicted is calculated, and the dispersibility of the powder to be predicted is predicted based on this distance, which is the same as the first and second embodiments.

[0054] [Proposed system] Hereinafter, a system for proposing highly dispersible constituent components of the present invention (hereinafter referred to as "proposed system") will be described with reference to the drawings.

[0055] 1, the proposal system 1 includes a proposal device 10. The proposal device 10 includes an input unit 11, a calculation unit 12, a storage unit 13, an identification unit 14, and an output unit 15. The hardware configuration of the proposal device 10 will be described below.

[0056] The input unit 11 is, for example, a touch panel, a mouse, a keyboard, etc., and various information is input by the user.

[0057] The calculation unit 12 and the specification unit 14 are, for example, a central processing unit (CPU) and a graphics processing unit (GPU), and perform various calculation processes and execute various programs stored in the storage unit 13.

[0058] The storage unit 13 is, for example, a read-only memory (ROM) or a random-access memory (RAM), and stores data input by the input unit 11, results calculated by the calculation unit 12, and various programs.

[0059] The output unit 15 is, for example, a display, and outputs the data calculated by the calculation unit 13, the data identified by the identification unit 14, and the like.

[0060] Next, the software configuration of the proposal device 10 will be described. The user inputs the measured values ​​of the average particle diameters of the treated powder and the untreated powder into the input unit 11. The data input into the input unit 11 is stored in the memory unit 13. The method for measuring the average particle diameters of the treated powder and the untreated powder is the same as that described in the dispersibility evaluation method, etc., described above. The methods for preparing the treated powder and the untreated powder, the methods for preparing the treated powder dispersion and the untreated dispersion, and the types of powder, dispersant, and dispersion medium are also the same as those described in the dispersibility evaluation method, etc., described above.

[0061] The calculation unit 12 comprises a first calculation unit 12a and a second calculation unit 12b, and the first calculation unit 12a calculates parameters based on the measured values ​​of the average particle diameter of the treated powder and the measured values ​​of the average particle diameter of the untreated powder input to the input unit 11, and based on the parameters, classifies the specific constituents into conforming specific constituents and inconforming specific constituents with respect to the reference values, and plots the position coordinates of the Hansen solubility parameters of the specific constituents in the three-dimensional space of the Hansen solubility parameters (δd, δp, δh) to obtain a Hansen sphere that includes the position coordinates of the conforming specific constituents but does not include the position coordinates of the inconforming specific constituents.

[0062] The parameters and reference values ​​based on the measured values ​​of the average particle diameter of the treated powder and the measured values ​​of the average particle diameter of the untreated powder are the same as those described in the above-mentioned dispersibility evaluation method, and can be set arbitrarily by the user. The plotting of the position coordinates of the Hansen solubility parameters of the specific constituents and the calculation of the Hansen sphere are performed by a program stored in the storage unit 13. The position coordinates of the Hansen solubility parameters of the specific constituents are the same as those described in the above-mentioned dispersibility evaluation method, etc.

[0063] The second calculation unit 12b calculates the distance between the position coordinates of the center of the Hansen sphere calculated by the first calculation unit 12a and the position coordinates of the Hansen solubility parameter of the specific constituent. The calculation result of the second calculation unit 12b is output by the first output unit 15a. The method for calculating the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of the specific constituent is the same as the above-mentioned dispersibility evaluation method, etc.

[0064] The identification unit 14 identifies the proposed specific constituent component using the Hansen solubility parameter database that stores Hansen solubility parameter information of the specific constituent component stored in the memory unit 13, based on the distance between the position coordinates of the center of the Hansen sphere calculated by the second calculation unit 12b and the position coordinates of the Hansen solubility parameter of the specific constituent component.

[0065] The method of identifying the proposed specific constituent from the Hansen solubility parameter database can be, for example, to determine that the distance between the position coordinate of the center of the Hansen sphere and the position coordinate of the Hansen solubility parameter of the specific constituent is equal to or less than the radius of the Hansen sphere. The specific constituent identified by the identification unit 14 is output by the second output unit 15b.

[0066] The dispersion system proposed by the above-mentioned proposed system, which is composed of highly dispersible powder, dispersant, and dispersion medium, can be widely used in chemical products such as cosmetics, pharmaceuticals, resin products, glass products, petroleum products, and metal products. [Example]

[0067] The present invention will be described in detail below with reference to examples, but the present invention is not limited to these examples.

[0068] [Examples 1 to 6] Zinc oxide microparticles (average particle diameter 25 nm) doubly treated with triethoxycaprylsilane and dimethicone (hereinafter referred to as "Z0") and a dispersant listed in Table 1 below were added to a solvent and mixed and dispersed for 3 minutes at 2,500 rpm using a dispersing mixer. The blending ratio of Z0, dispersant, and solvent (Z0:dispersant:solvent) was 98:2:100. The resulting dispersion was dried in a draft at 20°C for 24 hours to obtain dispersant-treated powders Z1 to Z6, each of which had been surface-treated with a dispersant.

[0069] [Table 1]

[0070] 0.1 g of each of Z0 to Z6 was added to 20 mL of the dispersion medium listed in Table 2 below, and after manual stirring five times, ultrasonic dispersion was performed for five minutes. 9 mL of the dispersion obtained by the above procedure was collected and dispensed into 3 mL portions. After manual stirring five times, ultrasonic dispersion was performed for five minutes, and particle size was measured using dynamic light scattering (DLS). From the obtained measurement results, the average particle size was calculated, and the difference between the average particle size of Z0 and the average particle size of Z1 to Z6 (average particle size of Z1 to Z6 - average particle size of Z0) was calculated, and this was divided by the average particle size of Z0 to calculate the rate of change (%). The results are also shown in Table 2. In Table 2, "*" indicates a rate of change of -100% or less.

[0071] [Table 2]

[0072] Based on the above results, a judgment was made as to whether a dispersion medium was suitable or incompatible. Dispersions with a change rate of -10% or less were deemed suitable, while all others were deemed incompatible. For Z6, dispersions with a change rate of -25% or less were deemed suitable, while all others were deemed incompatible. The results are shown in Table 3. In Table 3, "●" indicates a suitable dispersion medium, and "□" indicates an incompatible dispersion medium.

[0073] [Table 3]

[0074] Next, using HSPiP (Hansen Solubility Parameters in Practice ver. 5.4.05) software, the position coordinates of the Hansen solubility parameters (δd, δp, δh) for the compatible and incompatible dispersion media were plotted in three-dimensional space. The Hansen solubility parameters for each dispersion media were values ​​registered in the HSPiP database. A Hansen sphere was created that included the position coordinates of the compatible dispersion media but not the incompatible dispersion media. The results are shown in Figures 2 to 7, and the center position coordinates and radius of each Hansen sphere are shown in Table 4 below.

[0075] [Table 4]

[0076] If the Hansen solubility parameter of the dispersion medium to be evaluated was included in the Hansen spheres shown in Figures 2 to 7, it was evaluated as a dispersion medium with high dispersibility. Specifically, the distance (Ra) between the central position coordinates (δd1, δp1, δh1) of each Hansen sphere listed in Table 4 and the position coordinates of the Hansen solubility parameters (δd2, δp2, δh2) of the dispersion medium to be evaluated was calculated using the formula below, and compared with the radius (Ro) of the Hansen sphere. If Ra was less than or equal to the radius of the Hansen sphere (Ra≦Ro), the dispersion medium was evaluated as being compatible, and otherwise as being incompatible. Ra = [4(δd2-δd1) 2 +(δp2-δp1) 2 +(δh2-δh1) 2 ] 1 / 2 (formula)

[0077] [Comparative Examples 1 to 6] As a comparative example, the Hansen sphere of a dispersion system consisting of two components, a dispersant and a dispersion medium, was measured by the following method. 1.0 mL of dispersant was added to 1.0 mL of the dispersion medium shown in Table 5 below, and mixed and dispersed. The dispersants used were those used in Z1 to Z6 above. The resulting dispersion was left to stand at 20°C for 24 hours and then visually evaluated. Visual evaluation was performed by determining whether the dispersant and dispersion medium were compatible as a compatible dispersion medium, and whether fluctuations or a separated layer were observed as an incompatible dispersion medium. The results are also shown in Table 5. In Table 5, "●" indicates a compatible dispersion medium, and "□" indicates an incompatible dispersion medium.

[0078] [Table 5]

[0079] As above, the position coordinates of the Hansen solubility parameters (δd, δp, δh) of compatible and incompatible dispersion media were plotted in three-dimensional space using HSPiP (Hansen Solubility Parameters in Practice ver. 5.4.05) software. The Hansen solubility parameters for each dispersion media were values ​​registered in the HSPiP database. Hansen spheres containing the position coordinates of the compatible dispersion media but not the incompatible dispersion media were created and are shown in Figures 8 to 13. The central position coordinates and radius of each Hansen sphere are also shown in Tables 6 and 7 below. It is known that two Hansen spheres may be formed based on the solubility of a surfactant in a dispersion media, and two Hansen spheres were obtained in all cases except for Comparative Example 5.

[0080] [Table 6]

[0081] [Table 7]

[0082] The Hansen balls of the example and the comparative example were examined as an evaluation index for dispersibility. The dispersant-treated powders Z1 to Z6 were mixed and dispersed in the dispersion media listed in Table 8 below, and particle diameters were measured and average particle diameters calculated in the same manner as described above. The distances (Ra) from the center position coordinates of the Hansen spheres of Example 1 and Comparative Example 1 to the position coordinates of the Hansen solubility parameters of the dispersion media listed in Table 8 were also calculated, and the correlation between the average particle diameters of Z1 to Z6 and the distances (Ra) was examined. For Comparative Example 1, where there were two Hansen spheres, the one with the smaller Ra value was used. The results are shown in Figures 14 and 15. While there was a correlation (R = 0.685) between the average particle diameters of Z1 to Z4 and Z6 and the distances (Ra) from the center position coordinates of the Hansen spheres of Example 1 to the position coordinates of the Hansen solubility parameters of the dispersion media listed in Table 8 (Figure 14), there was a low correlation (R = 0.396, Figure 15). From these results, it was confirmed that the use of the Hansen ball of the example makes it possible to evaluate the dispersibility of a dispersion system whose constituent components are powder, dispersant, and dispersion medium.

[0083] [Table 8] [Explanation of symbols]

[0084] 1. Proposed system 10 Proposed device 11 Input section 12 Arithmetic section 12a 1st calculation section 12b 2nd operation section 13 Storage section 14 Specific part 15 Output section 15a First output section 15b 2nd output section

Claims

1. A method for evaluating dispersibility of a dispersion system in which a powder is dispersed in a dispersion medium in the presence of a dispersant, comprising: a step of selecting a plurality of components for one specific component identified from among the components of the dispersion system, namely, powder, dispersion medium, and dispersant, and selecting one component for each of the remaining two components, and preparing a treated powder dispersion obtained by mixing a dispersant-treated powder, which has been previously surface-treated with a dispersant, with the dispersion medium, and an untreated powder dispersion obtained by mixing an untreated powder that has not been surface-treated with a dispersant with the dispersion medium; calculating a parameter based on the average particle size of the treated powder in the treated powder dispersion and the average particle size of the untreated powder in the untreated powder dispersion; A step of classifying each specific component into a conforming specific component and an inconforming specific component with respect to the standard value based on the calculated parameters; Plotting the position coordinates of the Hansen solubility parameters of each specific component in the three-dimensional space of the Hansen solubility parameters (δd, δp, δh); and determining a Hansen sphere that includes the position coordinates of the compatible specific components and does not include the position coordinates of the incompatible specific components.

2. The dispersibility evaluation method according to claim 1, further comprising a step of calculating the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of the specific component to be evaluated, and evaluating the dispersibility of the specific component to be evaluated based on the distance.

3. A method for screening highly dispersible components in a dispersion system in which a powder is dispersed in a dispersion medium in the presence of a dispersant, comprising: a step of selecting a plurality of components for one specific component identified from among the components of the dispersion system, namely, powder, dispersion medium, and dispersant, and selecting one component for each of the remaining two components, and preparing a treated powder dispersion obtained by mixing a dispersant-treated powder, which has been previously surface-treated with a dispersant, with the dispersion medium, and an untreated powder dispersion obtained by mixing an untreated powder that has not been surface-treated with a dispersant with the dispersion medium; calculating a parameter based on the average particle size of the treated powder in the treated powder dispersion and the average particle size of the untreated powder in the untreated powder dispersion; A step of classifying each specific component into a conforming specific component and an inconforming specific component with respect to the standard value based on the calculated parameters; Plotting the position coordinates of the Hansen solubility parameters of each specific component in the three-dimensional space of the Hansen solubility parameters (δd, δp, δh); A method for screening specific components, comprising the step of determining a Hansen sphere that includes the position coordinates of compatible specific components and does not include the position coordinates of incompatible specific components.

4. Further, the method includes a step of calculating the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameters of the candidate specific constituents, and selecting the candidate specific constituents based on the distance. The screening method according to claim 3.

5. A method for predicting dispersibility of a dispersion system in which a powder is dispersed in a dispersion medium in the presence of a dispersant, comprising: a step of selecting a plurality of components for one specific component identified from among the components of the dispersion system, namely, powder, dispersion medium, and dispersant, and selecting one component for each of the remaining two components, and preparing a treated powder dispersion obtained by mixing a dispersant-treated powder, which has been previously surface-treated with a dispersant, with the dispersion medium, and an untreated powder dispersion obtained by mixing an untreated powder that has not been surface-treated with a dispersant with the dispersion medium; calculating a parameter based on the average particle size of the treated powder in the treated powder dispersion and the average particle size of the untreated powder in the untreated powder dispersion; A step of classifying each specific component into a conforming specific component and an inconforming specific component with respect to the standard value based on the calculated parameters; Plotting the position coordinates of the Hansen solubility parameters of each specific component in the three-dimensional space of the Hansen solubility parameters (δd, δp, δh); and determining a Hansen sphere that includes the position coordinates of the matched specific components and does not include the position coordinates of the unmatched specific components.

6. The method for predicting dispersibility according to claim 5 further comprises a step of calculating the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of the specific component to be predicted, and predicting the dispersibility of the specific component to be predicted based on the distance.

7. A proposed system for proposing highly dispersible components in a dispersion system in which powder is dispersed in a dispersion medium in the presence of a dispersant, an input section for inputting a measured value of the average particle diameter of the treated powder in the treated powder dispersion and a measured value of the average particle diameter of the untreated powder in the untreated powder dispersion, the treated powder dispersion being obtained by selecting a plurality of components for one specific component identified from the components of the dispersion system, namely, powder, dispersion medium, and dispersant, and selecting one type of component for each of the remaining two components, and mixing a dispersant-treated powder, which has been surface-treated in advance with a dispersant, with a dispersion medium; and an untreated powder dispersion being obtained by mixing an untreated powder that has not been surface-treated with a dispersant with a dispersion medium, the treated powder dispersion being obtained by inputting a measured value of the average particle diameter of the treated powder in the treated powder dispersion and a measured value of the average particle diameter of the untreated powder in the untreated powder dispersion, the untreated powder dispersion being obtained by mixing a dispersant-treated powder that has not been surface-treated with a dispersant with a dispersion medium; a first calculation unit that calculates parameters based on the input measured values ​​of the average particle diameter of the treated powder and the measured values ​​of the average particle diameter of the untreated powder, and based on the parameters, classifies each specific component into a conforming specific component and an incongruent specific component with respect to the reference value, and plots the position coordinates of the Hansen solubility parameters of each specific component in the three-dimensional space of the Hansen solubility parameters (δd, δp, δh) to obtain a Hansen sphere that includes the position coordinates of the conforming specific component and does not include the position coordinates of the incongruent specific component; A storage unit for storing a Hansen solubility parameter database that stores Hansen solubility parameter information of specific components; A second calculation unit that calculates the distance between the position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of a specific component; a first output unit that outputs the distance; The proposed system comprises:

8. An identification unit that identifies the proposed specific constituent from the Hansen solubility parameter database based on the distance between the calculated position coordinates of the center of the Hansen sphere and the position coordinates of the Hansen solubility parameter of the specific constituent; a second output unit for outputting the proposed specific constituent; The recommendation system of claim 7 , comprising:

9. The method of identifying the proposed specific constituent from the Hansen solubility parameter database identifies a specific constituent such that the distance between the position coordinate of the center of the Hansen sphere and the position coordinate of the Hansen solubility parameter of the specific constituent is equal to or less than the radius of the Hansen sphere. The proposal system of claim 8.

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