HANNA is a thermodynamically consistent ML model for predicting excess Gibbs energy from molecular structures, trained on various binary mixture data and extended to multi-component mixtures using geometric projection.
Unifac parameter table for prediction of liquid- liquid equilibriums.Industrial & Engineering Chemistry Process Design and Development, 20(2):331–339, April 1981
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Thermodynamically consistent machine learning model for excess Gibbs energy
HANNA is a thermodynamically consistent ML model for predicting excess Gibbs energy from molecular structures, trained on various binary mixture data and extended to multi-component mixtures using geometric projection.