Method for producing a composition for use in paints, varnishes, printing inks, grinding resins, pigment concentrates or other coatings

Abstract

The invention relates to a method for generating a composition for a paint, varnish, printing ink, grinding resin, pigment concentrate or other coating material, wherein the composition comprises solids and a dispersant and is generated by a computer system, wherein the computer system accesses a database in which known compositions are stored as measurement points together with corresponding rheological and color properties. The method comprises a database query of the composition, wherein, in the case where the database query is unsuccessful, a further database query is performed to find a candidate composition, which replaces one of the components with a replacement component and generates the corresponding composition.

Description

Technical Field

[0001] The present invention relates to a method for producing a composition for use in paints, varnishes, printing inks, grinding resins, pigment concentrates or other coatings, wherein the composition comprises solids and a dispersant. Prior art

[0002] Compositions for paints, varnishes, printing ink compositions, grinding resins, pigment concentrates and other coatings are complex mixtures of raw materials. Common compositions or formulations or formulas for paints, varnishes, printing inks, grinding resins, pigment concentrates or other coatings contain about 20 raw materials, which are also referred to as "components" below. The composition consists, for example, of raw materials selected from the following items: solids such as pigments and / or fillers, adhesives, solvents, resins, hardeners and various additives such as thickeners, dispersants, wetting agents, adhesion promoters, defoamers, surface modifiers, leveling agents, catalytically active additives such as desiccants and catalysts and special effect additives such as pesticides, photoinitiators and corrosion inhibitors.

[0003] To date, new compositions or formulations with certain desired properties have been specified based on empirical values ​​and subsequently chemically synthesized and tested. Due to the complexity of the interactions, the composition of new compositions or formulations that meet specific expectations in terms of chemical, physical, optical, tactile and other properties that can be identified by measurement remains difficult to foresee for those skilled in the art. This approach is both time-consuming and costly in view of the diversity of interactions between the raw materials and the resulting large number of (partially manual) trials and unsuccessful attempts.

[0004] In order to disperse solids (such as pigments, fillers or dyes) in liquid media, dispersants (also called dispersing additives) are usually used to achieve effective dispersion of the solids, which reduces the mechanical shear forces required for dispersion and at the same time achieves the highest possible filling degree. Dispersants help break up agglomerates, wet and / or cover the surface of the solids or particles to be dispersed as surface-active materials and stabilize them to prevent undesirable reagglomeration.

[0005] Dispersants are also used in the production of paints, varnishes, printing inks, grinding resins, pigment concentrates and other coatings, because they facilitate the addition of solids such as pigments, dyes and fillers, which as important composition components largely determine the visual appearance and the physical and chemical properties of such systems. For optimal utilization, the solids should on the one hand be uniformly dispersed in the formulation and on the other hand the dispersion achieved should remain stable.

[0006] Today, a large number of different substances are used as dispersants for solids. In addition to very simple low-molecular compounds such as lecithin, fatty acids and their salts and alkylphenol ethoxylates, more complex high-molecular structures are also used as dispersants. In particular, amino- and amide-functional systems are widely used.

[0007] For example, US Pat. No. 4,224,212, EP-B-0 208 041, WO-A-00 / 24503 and WO-A-01 / 21298 describe dispersants based on polyester-modified polyamines. DE-B-197 32 251 describes polyamine salts and their use as dispersants for pigments and fillers.

[0008] Overview

[0009] The object of the present invention is to provide a method by means of which the development of new compositions or the development of recombinant formulations can be achieved in a more time-saving and cost-effective manner.

[0010] This object is achieved by a method for producing a composition containing solids and dispersants for paints, varnishes, printing inks, grinding resins, pigment concentrates or other coating materials according to claim 1, as well as a corresponding computer system and computer program product. Embodiments of the invention are described in the dependent claims. Embodiments of the invention can be freely combined with one another unless they exclude one another.

[0011] In one aspect, the present invention relates to a method of producing a composition for use in a paint, varnish, printing ink, grinding resin, pigment concentrate or other coating, wherein the composition is produced by a computer system having access to a database storing known compositions and / or formulations.

[0012] "Composition" as used herein refers to a detailed description of a chemical that specifies at least the types of raw materials ("components") used to form the chemical.

[0013] A “formulation” is understood here to mean a composition which, in addition to the specification of the components, also contains specifications for the amounts or concentrations of the respective components.

[0014] If a composition is mentioned below, this may also mean that a formulation is present, depending on the embodiment.

[0015] For known compositions containing corresponding solids and dispersants, the measurement points for the solids content and the dispersant concentration or dispersant content are stored in the database, respectively.

[0016] For example, for each known composition, a plurality of measurement points can be stored in the database. For example, for a (fixed) solids content and with a varying dispersant content, or for a (fixed) dispersant content and with a varying solids content, a plurality of measurement points can be stored. The method comprises: for each measurement point of each composition, for example for each tested dispersant concentration and the associated solids content, respectively storing in the database at least one rheological property and at least one color property.

[0017] A rheological property may be, for example, the viscosity of the composition of interest. A color property may be, for example, the color intensity of the composition of interest.

[0018] The compositions may be paints, varnishes, injection inks, pigment pastes, pigment concentrates, grind resins or other coatings such as premixes of certain raw materials (as convenient products), solid dispersions, suspensions, aqueous and solvent-containing compositions, 100% compositions (free of water and solvents) or UV-based paint and varnish systems.

[0019] Dispersants or interface-active compounds in the sense of the present invention may be chemically amphiphilic, ionic, nonionic or low molecular weight compounds and / or high molecular weight compounds.

[0020] The dispersant or surface-active compound can be a polyether-modified fatty acid, a polyether-modified fatty acid amide amine, a polyether-modified amine derivative, a polyether amine derivative, a polyether-modified oil, a fat and its derivatives, especially a phosphorylated polyether derivative based on a fatty alcohol, a maleic acid resin or a polyether-modified styrene maleic acid copolymer.

[0021] Maleic resins are Diels-Alder adducts of rosin with maleic acid or fumaric acid, which can also be completely or partially esterified with polyols. Thus, a wide variety of hard resins can be produced, which differ from one another in their melting point, functionality and, therefore, solubility.

[0022] The dispersant or interface-active compound may also be a polyester modified with pigment-affinic groups.

[0023] The dispersant or surfactant compound may also be a nonionic ethoxylated carbohydrate surfactant such as polyoxyethylene sorbitan monolaurate, polyoxyethylene sorbitan monopalmitate, polyoxyethylene sorbitan monostearate, polyoxyethylene sorbitan monooleate and polyoxyethylene sorbitan tristearate.

[0024] Alternatively, the dispersant or interface-active compound may be a commercially available fatty alcohol ethoxylate selected from the group of polyalkylene glycol ethers.

[0025] It may be provided that the dispersant or the interface-active compound has one or more functional groups which have an affinity for the pigment surface.

[0026] A solid in the sense of the present invention can in principle be any solid organic or inorganic material or carbon black.

[0027] Such solids are, for example, pigments, fillers, dyes, optical brighteners, ceramic materials, magnetic materials, nanodispersed solids, metals, pesticides, agrochemicals and pharmaceuticals.

[0028] Preferred solids are pigments from any of the recognized classes of pigments as described, for example, in the section entitled "Pigments" in the Colour Index, 3rd Edition (1971) and subsequent revisions and supplements.

[0029] The pigment is preferably an organic, inorganic pigment or carbon black pigment.

[0030] Mention may be made, for example, as inorganic pigments, of iron oxide, chromium oxide or titanium oxide.

[0031] Suitable organic pigments are, for example, azo pigments, metal complex pigments, anthraquinone pigments, phthalocyanine pigments, polycyclic pigments and in particular pigments of the thioindigo, quinacridone, dioxazine, pyrrolopyrrole, naphthalenetetracarboxylic acid, perylene, isoamidine, flavonanthrone, pyranthrone or isoviranthrone series.

[0032] Gas black, flame black or furnace black can be used as carbon black. These carbon blacks can also be reoxidized and / or beaded.

[0033] Other preferred solids are extenders and fillers such as talc, kaolin, silicon dioxide, barite and chalk; particulate ceramic materials such as aluminum oxide, silicon dioxide, zirconium dioxide, titanium dioxide, silicon nitride, boron nitride, silicon carbide, boron carbide, mixed silicon aluminum nitrides and metal titanates, particulate magnetic materials, such as magnetic oxides of transition metals, especially iron and chromium, such as γ-Fe2O3, Fe3O4 and cobalt-doped iron oxides, calcium oxide, ferrites, especially barium ferrites and metal particles, especially metallic iron, nickel, cobalt and alloys thereof, and agrochemicals such as the fungicides flutriafol, carbendazim, thiophanate-methyl and mancozeb.

[0034] As mentioned above, compositions for paints, varnishes, printing inks, grind resins, pigment concentrates or other coatings comprise solids and a dispersant.

[0035] The appropriate combination of solids, especially pigments, and dispersants can result in optimal wetting of the solid surface by the dispersant, and in optimal distribution and stabilization of the solids, and especially pigments, in the matrix of the composition.

[0036] Since the degree of wetting of the pigment is not always known or can not be measured directly, rheological properties such as viscosity and color properties such as color intensity are taken into account as indicators.

[0037] By selecting the dispersant and its concentration, it is possible to reduce the amount of expensive solids such as certain pigments used, for example, without necessarily resulting in a reduction in color intensity. In addition, the viscosity characteristics of liquid media containing solids such as pigments are largely determined by the dispersant used. In particular, dispersants are required that produce the lowest possible viscosity in liquid paints and varnishes and that maintain this viscosity even during storage.

[0038] The method according to claim 1 is performed by first inputting a specification of a desired combination of a first component and a second component of a composition via a user interface of a computer system. The computer system accesses a database.

[0039] A database in the sense of the present invention can be any memory that can store data and in particular structured data. The database can be a database that is a text file, a spreadsheet file, a directory in a directory tree, or a database of a database management system (DBMS) such as MySQL or PostgreSQL.

[0040] For this method, it is provided that the components, ie the first component and the second component, are a solid and a dispersant.

[0041] For the case where the first component is a solid, the second component is a dispersant. Also for the case where the first component is a dispersant, the second component is a solid.

[0042] For a better understanding of the method steps, the first component is referred to as the first component (A) and the second component is referred to as the second component (B) hereinafter.

[0043] After inputting a detailed description of the desired combination of the first component (A) and the second component (B), a database query is performed using the desired combination of the first component (A) and the second component (B) as a search criterion.

[0044] If the database query provides a known composition that meets the search criteria, i.e., a first component (A) and a second component (B), then the known composition having the first component (A) and the second component (B) is output. For this known composition, therefore, measurement points for solid content and dispersant concentration are stored in advance, wherein the viscosity and color intensity are stored for each measurement point.

[0045] If the database query does not provide a known composition that meets the search criteria (first component (A) and second component (B)), a further database query of the composition is performed with the first component (A) and the second component (B) as the search criteria to find a candidate composition comprising one of the two components (the first component (A) or the second component (B)) and a replacement component to replace the other component (the second component (B) or the first component (A)).

[0046] In order to make the present invention easier to understand, for example, the component of the two components present in the candidate composition is referred to as the second component (B), and the other component not present in the candidate composition is referred to as the first component (A). It should be noted that one of the two components may also be referred to as the first component (A), and the other component may also be referred to as the second component (B), but this is not adopted in this example to make the present invention easier to understand.

[0047] For ease of understanding, the replacement component is referred to as replacement component (X) in this example.

[0048] Thus in this example, the candidate composition comprises the replacement component (X) and a second component (B).

[0049] Then, a database query is performed to find a known first comparative composition comprising the other of the two components, in this case the first component (A), and a third component, which in this case is referred to as the third component (C) for ease of understanding.

[0050] Thus in this example, the known first comparative composition comprises a first component (A) and a third component (C).

[0051] In the next step a database query is performed to find a known second comparative composition comprising a replacement component, referred to in this case for ease of understanding as replacement component (X), which replaces another component, in this case the first component (A), and a third component (C).

[0052] Thus in this example, the known second comparative composition comprises the replacement component (X) and the third component (C).

[0053] In a further step, the known first and second comparative compositions are compared by checking a similarity criterion, such as a defined threshold value, in relation to the measurement points of the known first and second comparative compositions stored in the database.

[0054] If the known first comparative composition and the second comparative composition are assessed to be sufficiently similar, a composition is generated where the replacement component (X) is replaced in the candidate composition with the other of the two components, in this case the first component (A).

[0055] The resulting composition is then output.

[0056] Embodiments of the present invention utilize the unexpected recognition that, from sufficiently similar comparative compositions, it is possible to infer that an undesirable replacement component (X) can be substituted for the first component (A) in a candidate composition, and thereby arrive at a prediction of a composition or formulation that can actually be used. The composition or formulation can then be verified by production and inspection in a high throughput device (HTE device).

[0057] According to one design of the present invention, in the case where a plurality of candidate compositions are found, the database query step of the first and second comparative compositions is frequently repeated and the comparative compositions are subsequently compared until at least one of the candidate compositions is determined to satisfy the similarity criterion, and a composition is generated according to this candidate composition, wherein the replacement component (X) is replaced by the other of the two components in the candidate composition. This has the advantage that the selected candidate composition with the highest similarity is likely to provide a very reliable prediction for the composition that can actually be used.

[0058] For a design, it can be provided that, in the case where multiple candidate compositions are found, the database query step of the first and second comparative compositions is repeated multiple times and the comparative compositions are subsequently compared until it is determined that multiple candidate compositions meet the similarity criterion. In this case, it can be provided as a further step that these candidate compositions are selected in a manner using similarity as a selection criterion, wherein the candidate composition with the highest similarity is selected and the step of generating the composition is performed, wherein in this candidate composition, the replacement component (X) is replaced by the other of the two components.

[0059] For all of the aforementioned embodiments of the invention, it can be provided that a first difference in the extreme values ​​of rheological properties such as viscosity and a second difference in the extreme values ​​of color properties such as color intensity between the known first and second comparative compositions, respectively with respect to different ratios of dispersant concentration and solids content, are taken into account in the relevant similarity.

[0060] For example, the gap can be the shortest connection length of the extrema between the first and second comparative compositions known. The gap can also be the straight line length between the extrema in Euclidean space, a cost function or a multidimensional gap, wherein the latter depends on the number of dimensions (measured parameters, such as viscosity measurement and / or color intensity measurement for a varying dispersant concentration at a fixed solids content), or multiple values ​​per measurement point.

[0061] For the similarity it can also be provided that measurement points of different storage periods are stored for the compositions stored in the database, wherein a comparison step of the first and second comparative compositions is carried out for each measurement point of a different storage period in order to determine a corresponding first and second difference for each storage period.

[0062] In order to test the inhomogeneity or sedimentation tendency of the solids in the composition matrix, the composition is re-measured after one or more storage periods (e.g. after 2 weeks of storage at 50°C and after 4 weeks of storage at 50°C) to account for possible insufficient stability, inhomogeneity or sedimentation behavior of the solids in the composition.

[0063] In this case, it can also be provided that the similarity is generated from a combination of the first and second differences of the extreme values.

[0064] Thus, for example, for each dimension (measurement parameter such as viscosity or color intensity, for example with respect to varying dispersant concentration at a fixed solids content or for example with respect to varying solids content at a fixed dispersant concentration), the respective two differences between the comparative compositions can be added or summed overall. If the combination of the differences is below or above a specified threshold, it can be specified that the similarity is regarded as being met.

[0065] As a further step, provision can be made to input a specification of at least one dimension of the measuring point, wherein the selected dimension predominates in the combination. For example, the selected dimension can be viscosity or color intensity.

[0066] Alternatively, provision can be made for a further step in which a specification of a value range for the measuring points is input, wherein in this step the comparison of the known first and second comparative compositions is effected by checking a similarity criterion with respect to the measuring points of the known first and second comparative compositions stored in the database and the measuring points are evaluated only within the specified value range. This input can be, for example, customer requirements such as a desired color intensity range, a desired storage stability range or a desired viscosity.

[0067] Alternatively, it can be provided that the similarity corresponds to a comparison of the measuring point curves, wherein the comparison is performed by using methods such as the method of least squares, squared differences, variance analysis, character string comparison or association of measuring point regions.

[0068] The corresponding course of the measuring points of the comparative compositions can be understood as two information sets, the similarity of which can be evaluated, for example, by means of fuzzy retrieval methods, see, for example, S. Miyamoto (Two Methods for Information Retrieval by Fuzzy Association, IEEE Trans. Syst. Man Cybernet. SMC-19 123-30-1990b; Fuzzy Sets in Information Retrieval and Cluster Analysis, 1989, Dordrecht: Kluwer).

[0069] For all of the above-mentioned embodiments of the method, it can be provided that, in addition to the other of the two components (A) and the third component (C), the known first comparative composition also has at least one other component (for example D, D+E, D+E+F, ...), and the known second comparative composition, in addition to the third component (C) and the replacement component (X), also contains one (D), multiple (D+E; D+E+F) or all (D+E+F, ...) of the other components.

[0070] It can be provided that the at least one further component is selected from the group consisting of pigments, fillers, dyes, optical brighteners, ceramic materials, magnetic materials, nanodispersed solids, metals, pesticides, agrochemicals, drugs, adhesives, solvents, wetting agents, leveling agents, hardeners and defoamers.

[0071] It can also be provided that the solid is an inorganic pigment, an organic pigment or a carbon black pigment.

[0072] The dispersant may be chemically amphiphilic, ionic, nonionic or a low molecular weight compound and / or a high molecular weight compound.

[0073] For all the aforementioned embodiments of the method, it can also be stipulated that if one of the two components of the candidate composition is a solid and the solid is an inorganic pigment, an organic pigment or a carbon black pigment, then the third component (C) is also an inorganic pigment, an organic pigment or a carbon black pigment accordingly; and if one of the two components of the candidate composition is a dispersant and the dispersant is a chemically amphiphilic, ionic, non-ionic or a low molecular weight compound and / or a high molecular weight compound, then the third component (C) is also a chemically amphiphilic, ionic, non-ionic or a low molecular weight compound and / or a high molecular weight compound accordingly.

[0074] Thus, one of the two components and the third component are similar, for example in terms of their characteristics such as color, size, structure, weight, loading, etc.

[0075] It can be provided that the measuring points of the known first and second comparative compositions or comparative formulations stored in the database were obtained by previously checking the rheological properties, such as viscosity, and the color properties, such as color intensity, with respect to dispersant concentration and solids content with the aid of an apparatus which carries out the production process of formulations for paints, varnishes, printing inks, grinding resins, pigment concentrates or other coating materials and checks formulations for paints, varnishes, printing inks, grinding resins, pigment concentrates or other coating materials.

[0076] A device suitable for carrying out production processes for formulations of paints, varnishes, printing inks, grinding resins, pigment concentrates or other coating materials and for checking formulations of paints, varnishes, printing inks, grinding resins, pigment concentrates or other coating materials is, for example, a high throughput device (high throughput device / HTE device) from Chemspeed Technologies AG as described in WO 2017 / 072351 A2, or a device for high throughput studies (high throughput device) as described in paragraph

[0054] of EP 2 420 817 B1.

[0077] It can also be provided that the computer system communicates with a database and / or a device suitable for executing a production process for a formulation for paints, varnishes, printing inks, grinding resins, pigment concentrates or other coatings and checking formulations for paints, varnishes, printing inks, grinding resins, pigment concentrates or other coatings via a communication interface, wherein the communication interface is implemented via a USB, Ethernet, WLAN, LAN, Bluetooth or other network interface.

[0078] The output of the composition or formula generated can be carried out by the user interface of the computer system. It can be provided additionally or alternatively that a formula is stored for the composition generated, or one or more formulas are generated based on the composition generated, for example, by a test plan program, wherein the stored formula or the formula generated by the test plan program is output to a processor, wherein the processor controls the production process for executing the formula for paint, varnish, printing ink, grinding resin, pigment concentrate or other coatings and checks the equipment for the formula for paint, varnish, printing ink, grinding resin, pigment concentrate or other coatings. The equipment has at least two processing stations, and the at least two processing stations are connected by a conveying system, on which a self-propelled transport vehicle (for example, a container suitable for receiving a formula or a substrate, i.e., a so-called panel, for applying a formula) can be moved between processing stations to transport the composition component and / or the component of the generated formula. The formula produced can be, for example, transported between processing stations in a container suitable for accommodating a formula, particularly a container made of plastic or glass. The formula generated can also be applied to a substrate or panel, wherein the substrate or panel is transported between processing stations together with the formula applied. The substrate or panel may be composed of any material to which the user can apply the formulation, in particular glass, plastic, concrete, wood, metal, stone, and the like.

[0079] The processor controls the device to produce a generated composition or formulation, wherein the production of the generated formulation and the checking of rheological and color characteristics are carried out in the at least two processing stations. For example, the checking of rheological and color characteristics can be carried out. Then, the results of the checking of rheological and extension characteristics are output through the user interface of the computer system, and / or the results of the checking of rheological and color characteristics are stored in a database. Therefore, the results or formulation measurement points stored in the database can be used for subsequent methods.

[0080] Another aspect of the invention is a computer system for generating a composition for a paint, varnish, printing ink or other coating, comprising a database and a user interface, wherein the computer system is configured to perform the above method.

[0081] Another aspect of the present invention is a computer program, a digital storage medium or a computer program product having instructions executable by a processor to perform the above method.

[0082] Another aspect of the present invention is a system comprising: an apparatus for carrying out a production process for a formulation for paints, varnishes, printing inks, grinding resins, pigment concentrates or other coatings and checking formulations for paints, varnishes, printing inks, grinding resins, pigment concentrates or other coatings, wherein the system has at least two processing stations, the at least two processing stations being connected by a conveying system, on which a self-propelled transport vehicle for transporting the components of the composition and / or the components of the produced formulation can move between the processing stations, wherein in the at least two processing stations not only the formulation is produced but also the rheological properties such as viscosity and color properties such as color intensity of each composition with respect to dispersant concentration and solid content are checked; and also comprising a computer system for generating a composition for paints, varnishes, printing inks, grinding resins, pigment concentrates or other coatings, comprising a database and a user interface, wherein the computer system is configured to execute the aforementioned method. Brief introduction of the attached figure

[0083] The embodiments of the present invention are described in detail by way of example in the following drawings:

[0084] Figure 1 A flow chart showing a method of producing a composition for a paint, varnish, printing ink, grind resin, pigment concentrate or other coating, wherein the composition for a paint, varnish, printing ink, grind resin, pigment concentrate or other coating comprises a solid and a dispersant;

[0085] Figure 2 A block diagram showing a system having a computer system, a database and a HTE device;

[0086] Figure 3A-3C shows three graphs of compositions respectively including an iron oxide red pigment and a dispersant, wherein measured values ​​regarding viscosity and color intensity are presented for compositions including the same dispersant as each other.

[0087] Detailed description

[0088] Figure 1 A flow chart showing a method of producing a composition for use in a paint, varnish, printing ink, grind resin, pigment concentrate or other coating.

[0089] The method can be performed by a computer system, such as a control computer, a notebook, a standard computer, a tablet computer or a smartphone.

[0090] The method can be used in the environment of a chemical laboratory. There is a series of individual analyzers and high throughput equipment (high throughput environment / HTE equipment) in the laboratory, that is, the equipment is used to perform the production process and check the formula for paints, varnishes, printing inks, grinding resins, pigment concentrates or other coatings. The HTE equipment contains a large number of units and modules, which can analyze and measure various chemical parameters or physical parameters of substances and mixtures and can combine and synthesize a large number of different chemicals based on the compatibility or formula input by the user.

[0091] The computer system accesses a database, which stores many known compositions or formulas and stores measurement points of solid content and dispersant concentration for the combination of solid and dispersant of the known formula. For each measurement point of the relevant formula, rheological properties and color properties are stored.

[0092] The rheological property may be viscosity and the color property may be color intensity.Both rheological properties and color properties can be determined with the aid of HTE equipment.

[0093] In a first step 10 , a user (eg, a researcher who wants to develop a new composition or formulation) inputs a specification of a desired combination of a first component and a second component of a composition via a user interface 101 of the computer system 100 .

[0094] For the method according to the invention, it is provided that the first component and the second component are a solid and a dispersant.

[0095] In the next step 11 a database query is performed with the desired combination of the first component and the second component as search criteria.

[0096] If the database query provides known compositions or known formulations that meet the search criteria, the known compositions or known formulations are output in a further step 13 .

[0097] If the database query does not provide a known composition or a known formula that meets the search criteria, in a further step 14, a further database query of the composition or formula is performed using the first component and the second component as search criteria to find a candidate composition or candidate formula comprising one of the two components and a replacement component that replaces the other component.

[0098] For this purpose, in a further step 15 a database query is performed to find a known first comparative composition or comparative formulation comprising the other of the two components as well as the third component.

[0099] Furthermore, in a further step 16 a database query is performed to find a known second comparative composition or comparative formulation comprising a third component and a replacement component in place of the other component.

[0100] After steps 15 and 16, in a further step 17, the known first and second comparative compositions or comparative formulas are compared by checking a similarity criterion such as a specified threshold value associated with the measurement points of the known first and second comparative compositions or comparative formulas stored in the database, wherein, if the known first and second comparative compositions or comparative formulas are assessed to be sufficiently similar, the composition or formula is generated in a subsequent step 19, wherein the replacement component is replaced by the other of the two components in the candidate composition or candidate formula, and the generated composition or formula is then output, see step 13.

[0101] If the known first and second comparative compositions or comparative formulations are not assessed to be sufficiently similar, steps 14 to 18 are repeated.

[0102] Figure 2 A block diagram of a system having a computer system 100, a database 200 and an apparatus (HTE apparatus) 500 for carrying out a production process for a composition for paints, varnishes, printing inks, grinding resins, pigment concentrates or other coatings and for checking a composition for paints, varnishes, printing inks, grinding resins, pigment concentrates or other coatings is shown.

[0103] About Figure 1 The main components and functions of the system and its components are described. The computer system 100 can be, for example, a laptop, a standard computer, a tablet or a smartphone operated by a user 007. The user 007 inputs, for example, a detailed description of a desired combination of a composition or a formula through an interface 101 of the computer system (see also Figure 1 Step 10 in the above). The composition described below may also be a formulation.

[0104] The computer system 100 accesses a database in which known compositions are stored and, for combinations of solids and dispersants of the known compositions, relevant composition measurement points regarding solid content and dispersant concentration, respectively.

[0105] Furthermore, the computer system 100 has a processor 102 with an application program and a driver for controlling a processor 520 of the HTE device 500. As shown, the HTE device 500 has a plurality of units and modules 506-514, which can analyze and measure various chemical or physical parameters of substances and mixtures. For example, unit 506 is an analyzer that can be used to set and determine viscosity. For example, unit 508 is an analyzer that can determine color values ​​based on an integrated spectrophotometer (via so-called La,b values).

[0106] The computer system 100 further comprises a main memory 103 in which the candidate composition K0 and other candidate compositions K1 to Kn (where n≧2 is feasible) and comparative compositions Vergl.I and Vergl.II can be temporarily stored.

[0107] As shown, the computer system 100 can not only store data, such as measured values ​​and properties of compositions and / or components, on the database 200, but also retrieve data from the database 200. The computer system 100 can also send data, such as tasks, to the HTE device 500 and receive results. The results can then be forwarded to the database system 200 and / or (via the interface 101) to the user 007. It can also be provided that the results determined with the aid of the HTE device 500 are directly entered into the database 200.

[0108] Figure 3 Three graphs are shown for compositions containing red iron oxide pigment and various dispersants, respectively ( Figure 3 A, 3B and 3C).

[0109] exist Figure 3 In A, the measured values ​​of color intensity and viscosity for different or varying dispersant concentrations at a fixed content of red iron oxide pigment are shown graphically for a composition comprising dispersant 1 and red iron oxide pigment.

[0110] exist Figure 3 In B, the measured values ​​of color intensity and viscosity of a composition comprising dispersant 2 and red iron oxide pigment for a fixed red iron oxide pigment content for various or varying dispersant concentrations are shown in a graph.

[0111] exist Figure 3In C, the measured values ​​of color intensity and viscosity for different or varying dispersant concentrations at a fixed content of red iron oxide pigment are shown graphically for a composition comprising dispersant 3 and red iron oxide pigment.

[0112] Figure 3 Dispersants 1, 2 and 3 shown in A to 3C are aqueous solutions of copolymers having pigment-affinity groups that are different from each other. Dispersants 1, 2 and 3 are different from each other in copolymer, appearance (transparent, turbid or color), acid value [mg KOH / g], viscosity [mPa·s at 25°C], flash point [°C] and / or melting point (°C). Figure 3 A to 3C show the measured values ​​of viscosity and color intensity of compositions with varying dispersant contents, wherein the dispersant content varies between 1% and 30% relative to a fixed red iron oxide pigment content (here 65%). The remainder of the composition consists of other components, here additives, defoamer, water and pesticide.

[0113] exist Figure 3 A, 3B and 3C also show the measured values ​​of color intensity and viscosity of each composition (having the same but varying amounts of dispersant) at various storage periods. The various storage periods are: i.) after production (see color intensity measurement points with cross symbols and viscosity measurement points with square symbols), ii.) after the composition has been stored at 50° C. for 2 weeks (see color intensity measurement points with triangle symbols, viscosity measurement points with star symbols), and iii.) after the composition has been stored at 50° C. for 4 weeks (see color intensity measurement points with diamond symbols and viscosity measurement points with circle symbols).

[0114] The measured values ​​for color intensity and viscosity are measured by a device (HTE device from Chemspeed Technologies AG, described in WO 2017 / 072351 A2) that performs the production process for formulations for paints, varnishes, printing inks, grinding resins, pigment concentrates or other coatings and checks them and is stored in a database. In this case, the storage stability measurement is measured based on inhomogeneities or sedimentation tendencies, wherein the normal force is measured with the aid of a plate / rod during downward movement, thereby detecting inhomogeneities such as syneresis or sedimentation. The viscosity measurement of the composition is also carried out by the HTE device together with the viscosity adjustment in the form of dilution, by determining the viscosity of the composition in the means of transport (glass container) using a paddle stirrer. The color values ​​of the composition are also measured by the HTE device based on an integrated spectrophotometer (so-called La,b values).

[0115] For the method according to the invention, it can be provided, for example, that a first known comparative composition (see Figure 1 , step 15) is Figure 3 Thus, the iron oxide red pigment will be the third component, and the dispersant 1 will be the other of the two components. In addition, it can be provided that the known second comparative composition (see Figure 1 , step 16) is Figure 3 Thus, the iron oxide red pigment will be the third component and the dispersant 2 will be the replacement component.

[0116] Then, according to the method of the invention, a comparison of the known first and second comparative compositions is achieved by checking a similarity criterion (such as a previously determined threshold value) associated with the measurement points of the known first and second comparative compositions stored in the database.

[0117] For example, regarding similarity, in the known first comparative composition ( Figure 3 A) and the second comparative composition ( Figure 3 B) a first difference in viscosity extremes and / or a second difference in color intensity extremes, respectively, with respect to dispersant concentration and solids content, are taken into account.

[0118] As Figure 3 B compared to Figure 3 As can be seen in Figure A, for compositions with dispersant contents ranging from 16% to 19%, the color intensity of all compositions tested is at its maximum (at Figure 3 In A, it is represented by M1. Figure 3 B), which is about 100% here. Figure 3 The color intensity maxima M1 and M2 of A and 3B regarding the dispersant content are not different or are not much different from each other (see gap A1), so it can be specified that the known first comparative composition ( Figure 3 A) and the second comparative composition ( Figure 3 B) is evaluated as sufficiently similar. Thus, here, for example, the difference in the maximum value can be about 2% of the dispersant concentration. For example, when the similarity criterion is set as a threshold value and the difference should be less than 3% of the dispersant concentration, the comparative composition is evaluated as similar. As shown in the figure, also from Figure 3 A and 3B show that for Figure 3 The intersection points of the storage period curves of the compositions A and 3B are relatively close (<3% of the dispersant concentration). Therefore, these intersection points can also be included in the similarity as a gap, thereby stipulating that the first comparative composition ( Figure 3 A) and the second comparative composition ( Figure 3 B) is evaluated as sufficiently similar. The similarity can also correspond to a comparison of the measured point curves, wherein the comparison is performed by methods such as the least squares method, squared difference, variance analysis, string comparison or association of the measured point domain. Figure 3 As shown in A and 3B for the compositions with different dispersants, after production, the course of the measured values ​​of these compositions behaves very similarly, so they can be evaluated as being sufficiently similar.

[0119] Because the known first and second comparative compositions are evaluated to be sufficiently similar, a composition can be generated according to the claimed method, wherein the replacement component (dispersant 2) is replaced with the other of the two components (dispersant 1) in the candidate composition, and then the output of the generated composition is performed.

[0120] For the method according to the invention, it can also be provided, for example, that a first comparative composition known in the art (see Figure 1 , step 15) is Figure 3 Thus, the iron oxide red pigment will be the third component, and the dispersant 1 will be the other of the two components, and the known second comparative composition (see Figure 1 , step 165) is Figure 3 Thus, the iron oxide red pigment will be the third component and the dispersant 3 will be the replacement component.

[0121] If available from Figure 3 As can be seen in C, for compositions with a dispersant content of about 13%, the color intensity is at its maximum value M3, which is about 100%, whereas the viscosity [mPas] is at its minimum value at a dispersant content of about 15% to 23%. Figure 3 The maximum values ​​of color intensity M1 and M2 of A and 3B are Figure 3 The color intensity maximum M3 of C is (very) far away (the difference is about 5% of the dispersant concentration), so it can be stipulated that the known first comparative composition (3A) and the second comparative composition ( Figure 3 C) is evaluated as not similar enough. In this case, you can also Figure 3 A and 3C, at least with regard to the color intensity, the intersection points of the storage period curves are also (very) far apart by comparison. Therefore, the intersection points can also be included in the similarity as a gap, so that it can be stipulated in this case that the known first comparative composition ( Figure 3 A) and the second comparative composition ( Figure 3 C) were not assessed as being sufficiently similar.

[0122] Reference numerals list

[0123] Steps 10-19

[0124] 007 User

[0125] 100 Computer Systems

[0126] 101 Interface

[0127] 102 Processor

[0128] 103 Main memory

[0129] 200 Database

[0130] 500 Equipment for carrying out production processes and checking formulations for paints, varnishes, printing inks, grinding resins, pigment concentrates or other coatings (HTE equipment)

[0131] 506 Analyzer

[0132] 508 Analyzer

[0133] 510 Mixer

[0134] 512 Synthesis Unit

[0135] 514 Synthesis Unit

[0136] 520 processor

[0137] M1 Figure 3 The maximum value of the color intensity of the composition A

[0138] M2 Figure 3 The maximum value of the color intensity of the composition B

[0139] M3 Figure 3 The maximum value of the color intensity of the composition C

[0140] A1 Figure 3 The difference between M1 and M2 in the comparison between A and 3B

[0141] A2 Figure 3 The difference between M2 and M3 in the comparison between B and 3C

Claims

1. A method of producing a composition for use in paints, varnishes, printing inks, grinding resins, or pigment concentrates, wherein: The composition for paint, varnish, printing ink, grinding resin, or pigment concentrate comprises a solid and a dispersant, wherein the composition is generated by a computer system (100), wherein the computer system (100) accesses a database (200), wherein a plurality of known compositions are stored in the database and measurement points of the solid content and the dispersant concentration of the relevant composition are respectively stored for the combination of the solid and the dispersant of the known composition, wherein the corresponding rheological properties and color properties are stored for each measurement point of the relevant composition, The method comprises the following steps: a. inputting (10) a detailed description of a desired combination of a first component and a second component of a composition through a user interface (101) of the computer system (100), wherein the components are a solid and a dispersant, b. performing (11) a database query using the desired combination of the first component and the second component as a search criterion, (1) wherein if the database query provides a known composition that satisfies the search criteria, outputting (13) the known composition, (2) wherein, in the opposite case, a further database query (14) of the composition is performed with the first component and the second component as search criteria to find a candidate composition comprising one of the two components and a replacement component replacing the other component, wherein, i. performing a database query (15) to find a known first comparative composition comprising the other of the two components and a third component, ii. performing a database query (16) to find a known second comparative composition comprising the third component and a replacement component replacing the other component, iii. comparing (17) the known first comparative composition and the known second comparative composition with respect to rheological properties and color properties, respectively, by checking similarity criteria of the measurement points regarding solid content and dispersant concentration stored in the database regarding the known first comparative composition and the known second comparative composition, wherein if the known first comparative composition and the known second comparative composition are assessed to be sufficiently similar, then iv. generating (19) the composition, wherein the replacement component is replaced with the other of the two components in the candidate composition, and v. Output (13) the generated composition.

2. The method according to claim 1, wherein: In step b.(2), multiple candidate compositions are found, and steps i. to iii. are repeated frequently until it is determined that at least one of the multiple candidate compositions satisfies the similarity criterion, and step iv. is performed for the candidate composition.

3. The method according to claim 1 or 2, wherein: In step b.(2), multiple candidate compositions are found, and steps i. to iii. are repeated multiple times until it is determined that the multiple candidate compositions satisfy the similarity criterion, and there is another step of picking the candidate compositions, wherein the candidate compositions are picked in a manner that uses similarity as a picking criterion, wherein the candidate composition with the highest similarity is selected, and step iv. is performed on the candidate composition.

4. The method according to claim 3, wherein: The first gap in the extreme values ​​of the rheological properties and the second gap (A1; A2) in the extreme values ​​of the color properties (M1; M2; M3) between the known first comparison composition and the known second comparison composition, respectively, in terms of dispersant concentration and solid content, are taken into consideration in the similarity.

5. The method of claim 4, wherein: Measuring points of different storage periods are stored for the recipes stored in the database, wherein step b.(2)iii. is performed for each measuring point of a different storage period to determine a corresponding first and second gap for the storage period.

6. The method according to claim 4, wherein: The similarity is generated by a combination of the first distance and the second distance between the extreme values.

7. The method according to claim 5 or 6, comprising the further step of inputting a detailed description of at least one of the dimensions of the measuring points, wherein: The selected dimension is dominant in this combination.

8. The method according to claim 1 or 2, comprising the further step of inputting a detailed specification of the value range for the measuring points, wherein: In step b.(2)iii., the measuring points are evaluated only within a specified value range.

9. The method according to claim 3, wherein: The similarity corresponds to a comparison of the variation process of the measuring points, wherein the comparison is performed by a least square method, a difference square method, a variance analysis method, a measuring point area character string comparison method or a correlation method.

10. The method according to claim 1 or 2, wherein: - in step b.(2)i., in addition to the other of the two components and the third component, the known first comparative composition also contains other components, - In step b.(2) ii., in addition to the third component and the replacement component, the known second comparative composition also contains one, more or all of the other components.

11. The method according to claim 10, wherein: The other components are selected from the group consisting of pigments, fillers, dyes, optical brighteners, ceramic materials, magnetic materials, nano-dispersed solids, metals, agrochemicals, drugs, adhesives, solvents, wetting agents, leveling agents, hardeners and defoamers.

12. The method according to claim 11, wherein: The drugs include insecticides.

13. The method according to claim 1 or 2, wherein: The solid is an inorganic pigment, an organic pigment or a carbon black pigment.

14. The method according to claim 1 or 2, wherein: The dispersant is a chemically amphiphilic, ionic, nonionic or low molecular weight compound and / or a high molecular weight compound.

15. The method according to claim 1 or 2, wherein: - in the case where one of the two components of the candidate composition is a solid, said solid being an inorganic pigment, an organic pigment or a carbon black pigment, the third component is correspondingly also an inorganic pigment, an organic pigment or a carbon black pigment, and - In the case where one of the two components of the candidate composition is a dispersant, the dispersant is a simple low molecular compound or a complex high molecular compound, and the third component is also a simple low molecular compound or a complex high molecular compound.

16. The method according to claim 1 or 2, wherein: The measuring points of the known first comparative composition and the known second comparative composition stored in the database (200) are obtained by previously checking the rheological and color properties with respect to dispersant concentration and solids content using a device (500) suitable for carrying out a manufacturing process for a formulation for paints, varnishes, printing inks, grinding resins or pigment concentrates and for checking the formulation for paints, varnishes, printing inks, grinding resins or pigment concentrates.

17. The method according to claim 1 or 2, wherein: The computer system (100) communicates with the database (200) and / or the device (500) for executing a manufacturing process for a formulation for paints, varnishes, printing inks, grinding resins, or pigment concentrates and checking a formulation for paints, varnishes, printing inks, grinding resins, or pigment concentrates via a communication interface, wherein the communication interface is implemented via USB, Ethernet, WLAN, LAN, or Bluetooth.

18. The method according to claim 1 or 2, wherein: After step b.(1) or after step b.(2)v., the generated composition is output through the user interface (101) of the computer system (100).

19. The method according to claim 1 or 2, wherein: After step b.(1) or after step b.(2) v., the generated composition is output to a processor (102), wherein a device (500) suitable for carrying out a manufacturing process for a formulation for paints, varnishes, printing inks, grinding resins, or pigment concentrates and for checking formulations for paints, varnishes, printing inks, grinding resins, or pigment concentrates is controlled by the processor (102), wherein the device (500) has at least two processing stations, wherein the at least two processing stations are connected by a conveying system, and a self-propelled transport vehicle for transporting the formulation and / or components of the produced formulation can Moving between the processing stations on the conveying system, wherein the processor (102) controls the device (500) to produce the generated composition, wherein the generated composition is produced in the at least two processing stations and the rheological properties and color properties are checked with respect to dispersant concentration and solid content, and then output (13) through the user interface (101) The inspection results of the rheological properties and color properties of the formula with respect to dispersant concentration and solid content and / or the inspection results of the rheological properties and color properties of the formula with respect to dispersant concentration and solid content are stored in the database (200).

20. A computer system (100) for generating a composition for a paint, varnish, printing ink, grinding resin, or pigment concentrate, comprising a database (200) and a user interface (101), wherein: The computer system (100) is configured to perform the method according to any one of claims 1 to 19.

21. A computer program, a digital storage medium or a computer program product having instructions executable by a processor (102) for performing the method according to any one of claims 1 to 19.

22. A system comprising: - a device (500) for carrying out a manufacturing process for formulations for paints, varnishes, printing inks, grinding resins or pigment concentrates and for checking formulations for paints, varnishes, printing inks, grinding resins or pigment concentrates, wherein the device (500) has at least two processing stations, wherein the at least two processing stations are connected by a conveyor system, on which self-propelled transport vehicles for transporting the formulations and / or components of the produced formulations can be moved between the processing stations, wherein in the at least two processing stations not only the formulations are produced but also the rheological and color properties of each formulation with respect to dispersant concentration and solids content are checked; and - A computer system according to claim 20.

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