Identification of Functional Additives for Polylactic Acid Resins with Improved Strength and Degradability Using the Chemicals Informatics Tool

Polylactic acid (PLA) is a promising biobased polymer that contributes to carbon neutrality, yet its limited mechanical strength and slow biodegradation hinder wider industrial use. In this study, we sought to overcome these limitations by identifying functional additives using a data-driven approach with the Chemicals Informatics (CI) material search tool. Among a vast data set of published materials, adipic acid and 3,3′-dithiodipropionic acid were selected as promising candidates. Molecular simulations indicated that these additives enhance intermolecular interactions with PLA prior to hydrolysis. PLA resins containing the selected additives were fabricated via melt blending and evaluated through mechanical and hydrolytic testing. The modified PLA exhibited a more than 10 MPa improvement in yield strength and significantly faster degradation in alkaline conditions compared to the additive-free resin. These findings demonstrate the potential of CI-guided additive selection to optimize PLA performance for applications demanding both durability and controlled biodegradability, such as consumption parts for industrial products.