Estimation of diffusivities in supercritical carbon dioxide

Calculates the diffusion coefficients of a solute in supercritical carbon dioxide using the Machine Learning model proposed in Aniceto et al., 2021.

Temperature

Density

g cm^-3

Solute molar mass

g mol^-1

Solute critical pressure

bar

Solute acentric factor

You can download the software with this calculator for offline use.

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Notes

This tool estimates the binary diffusivity of a solute in supercritical carbon dioxide using a machine learning model trained with 4000 experimental data points from over 170 systems. For more information, check the paper below.

Citing

If you use this calculator for a scientific publication, please cite:

J.P.S. Aniceto, B. Zêzere, C.M. Silva. Machine learning models for the prediction of diffusivities in supercritical CO2 systems, Journal of Molecular Liquids (2021) 115281.