Hybrid Solid Surface Tension Modelling to Fill the Database Gap for Sustainable Textile Coatings

Abstract. Perfluoroalkyl and polyfluoroalkyl substances represent a broad class of synthetic organic chemicals of industrial origin. They have applications in several fields, such as textile and packaging impregnation and coatings, electroplating, and fire-fighting foams, due to their excellent performance. Due to the high strength of the covalent bond between carbon and fluorine, these compounds are frequently designated as “forever chemicals”. They exhibit remarkable environmental persistence, leading to uncontrolled accumulations, and are thus considered harmful. From an eco-friendly perspective, the compelling challenge is generating a textile and packaging coating possessing hydrophobic and oleophobic properties without the hazardous fluorinated additives. The present work introduces the development of a hybrid modelling methodology to evaluate solid surface tension for textiles using Neumann’s equation of state alongside finite element method algorithms and experimental contact angle data. The aim is to provide a predictive tool for assessing optimal non-polluting and non-harmful coating conditions. Indeed, the estimation of solid surface tension – a crucial property in wetting, adhesion, and adsorption processes, which currently lacks direct measurement methods – will be employed to address the selection of those safe and sustainable coating materials and additives that perform better. Perfluoroalkyl and polyfluoroalkyl substances will not be used, contributing to ecological and environmentally friendly solutions.