Estimation of diffusivities in polar and nonpolar systems
Calculates the diffusion coefficients of a solute in polar (except water) and nonpolar (except supercritical carbon dioxide) using the Machine Learning model proposed in Aniceto et al., 2021.
This tool estimates the binary diffusivity of a solute in polar (except water) and nonpolar (except supercritical carbon dioxide) solvents. It uses Machine Learning models trained with over 2500 experimental data points from over 150 systems. For more information, check the paper below.
For calculations where the solvent is supercritical carbon dioxide use this calculator.
If you use this calculator for a scientific publication, please cite:
J.P.S. Aniceto, B. Zêzere, C.M. Silva. Predictive Models for the Binary Diffusion Coefficient at Infinite Dilution in Polar and Nonpolar Fluids, Materials 14 (2021) 542.