Abstract
A methodology for product design of organic coatings is developed to help a formulator screen, modify, or design a paint formulation according to the desired functionality. The computer-aided product design (CAPD) method aims to improve and expand the current state of computer-aided coating formulation through a combination of databases and models capable of estimating various physicochemical properties. Additional paint-specific component interactions are considered, and new properties and estimation methods are included that better suit modern environmental, health, and safety-related considerations in the product design of paints. This work aims to provide a clear description of all property models, estimation methods, tools, and software used throughout the systematic framework. The solvent selection methodology is tested for several commercial paint formulations, using the original solvent mixtures to verify the results, while providing formulation alternatives to guide further experimental testing. For investigated case studies, the methodology provides both viable formulations and solvent selection alternatives. The suggested options can be used to retain key functionalities while lowering cost, substituting unwanted ingredients, or improving factors including health and safety, as indicated by lethal concentration, flash points, and biodegradability.
Highlights
Significant effort and time is spent in the development and man agement of raw materials and products in the paints and coatings in dustry, where products are formulated mainly through experimentation and experience [1,2]
The methodology includes important functional properties for coatings, and expands on earlier product design studies to allow for estimation of additional health and safety-related indicators including aquatic lethal concentration, biodegradability, and open cup flash point
Coating-specific requirements and interactions have been included in the framework, including the Hansen Solubility Parameters (HSP) compatibility between binders, solvents, and pigments
Summary
Significant effort and time is spent in the development and man agement of raw materials and products in the paints and coatings in dustry, where products are formulated mainly through experimentation and experience [1,2]. An alternative to trial-and-error formulation is to design a coating through a combination of computer-aided tools, care fully selected experiments, and experience. One of the main issues is the complex nature of paints as a liquid formulation, as they commonly include a wide range of ingredients, including solvents, polymers, pigments, and extenders [3]. Raslan et al [12] extended the solvent design framework designed by Conte et al [4] to include a systematic safety and health index for various formulated products, including paints. Attempts to extend product design to paint and coatings are still rare, though new approaches have been developed for similar products. Solvent based adhesives have recently been designed through a target attribute-based approach, which did not start with the selection of active ingredients [13]. Heuristic rules have been in tegrated in recent CAPD frameworks, where mathematical models can be missing or inadequate for complex microstructured products [14]
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