Database of Surfactant Structure and Properties to Aid in the Development of Fluorine-Free, Fire-Suppressing Surfactants and Foams.

A database is developed to facilitate correlations between surfactant structure, properties, and foam fire suppression and to develop machine learning models. Models and structure-property relationships are crucial for developing insights into surfactant design and development for a specific application such as firefighting. The database contains foam fire suppression metrics for 71 individual surfactants and 116 mixture formulations with well-characterized chemical structures. Thirty-six of the 71 are synthesized, and the rest are commercial. In addition, the database contains 13 commercial individual surfactants and 48 commercial mixture formulations without well-defined structures. Properties include surfactant critical micelle concentration, solution surface tension, and interfacial tension with fuels, fuel-induced foam degradation, heptane flux through a foam layer, and foam fire extinction performance on 19 cm heptane and gasoline pool fires. Limited acute aquatic toxicity measurements for 7 surfactants and 2 mixtures for 48 h exposure to