3 papers
physics.chem-ph2024
Predicting the Temperature-Dependent CMC of Surfactant Mixtures with Graph Neural Networks
Christoforos Brozos, Jan G. Rittig, Elie Akanny +3
Surfactants are key ingredients in foaming and cleansing products across various industries such as personal and home care, industrial cleaning, and more, with the critical micelle…
physics.chem-ph2024
Predicting the Temperature Dependence of Surfactant CMCs Using Graph Neural Networks
Christoforos Brozos, Jan G. Rittig, Sandip Bhattacharya +3
The critical micelle concentration (CMC) of surfactant molecules is an essential property for surfactant applications in industry. Recently, classical QSPR and Graph Neural Network…
physics.chem-ph2024
Graph Neural Networks for Surfactant Multi-Property Prediction
Christoforos Brozos, Jan G. Rittig, Sandip Bhattacharya +3
Surfactants are of high importance in different industrial sectors such as cosmetics, detergents, oil recovery and drug delivery systems. Therefore, many quantitative structure-pro…