DOI: 10.1039/d6cp00732e ISSN: 1463-9076
Prediction of diffusion coefficients in mixtures with tensor completion
Zeno Romero, Kerstin Münnemann, Hans Hasse, Fabian JirasekA hybrid tensor completion method for predicting temperature-dependent diffusion coefficients at infinite dilution in binary mixtures achieves markedly improved accuracy compared to established models across a broad temperature range.