Digital Innovation for PFAS-free Coating Development: The PROPLANET Replication Tool

Modern industrial coating applications rely heavily on per- and polyfluoroalkyl substances (PFAS), which are valued for their exceptional functional properties. However, growing evidence of their environmental persistence and potential health risks has prompted regulatory action and an urgent need for safer alternatives. The PROPLANET project addresses this challenge by developing PFAS-free coating solutions using the Safe and Sustainable by Design (SSbD) framework, which embeds human health and environmental safety from the earliest stages of innovation.

Traditional coating development relies on costly trial-and-error experimentation. The PROPLANET Replication Tool transforms this approach by providing a comprehensive digital platform that enables researchers and industry to evaluate new formulations before physical testing. The software is a result of five key inputs: first-principles simulations that examine coating performance at the molecular level; environmental fate models predicting where substances disperse and accumulate in ecosystems; lung exposure assessments evaluating inhalation risks; multi-objective optimization algorithms identifying optimal compound combinations balancing emissions and production requirements; and toxicological risk classification of the compound mixtures, based on the information obtained from the ECHA database.

By centralizing these diverse models into a single, user-friendly interface, the tool allows users to design coating formulations that meet specific performance requirements—such as hydrophobicity or oleophobicity—while ensuring environmental compliance and minimizing health hazards. This data-driven methodology significantly reduces research costs, laboratory waste, and development time, embodying a "First Time Right" philosophy.

Developed as an open-source platform, the PROPLANET Replication Tool democratizes access to advanced simulation capabilities, enabling stakeholders across industries to adopt sustainable practices. This digital innovation represents a critical step toward widespread replacement of PFAS with safer alternatives while maintaining the high-performance standards demanded by modern applications.