Tools  |  Programs developed by the EgiChem group

Online Calculator

Diffusivities in polar and nonpolar solvents

Machine Learning models for the prediction of diffusivities in polar (except water) and nonpolar (except supercritical carbon dioxide) solvents.

Solvent Diffusivities

Online Calculator

Diffusivities in Supercritical CO2

Machine Learning models for the prediction of diffusivities in supercritical carbon dioxide.

SC-CO2 Diffusivities

Online Calculator

Viscosity and density of SC-CO2

Supercritical carbon dioxide density and pressure calculation for pure CO2 and CO2 with ethanol as cosolvent.

SC-CO2 Properties

Online Calculator

Adsorption isotherm fitting

Fits well known adsorption isotherm models (e.g. Linear, Langmuir, Freundlich) to experimental data.

Isotherm fitting

Online Calculator

Psychrometrics

Calculate the thermodynamic properties of air and simulate drying/ventilation processes. Visualize data in an interactive Psychrometric Chart.

Psychrometric Calculator Drying/Ventilation Simulator

Matlab file (32-bit system)

Carbon Dioxide Density

Determination of carbon dioxide density from the relationship proposed by Pitzer and Schreiber (1988), which provides accurate results very near the critical point.

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Matlab file (32-bit system)

Carbon Dioxide Viscosity

The viscosities of CO2 were estimated using the empirical equation developed by Altunin and Sakhabetdinov (1972). In this expression, viscosity is a function of density and temperature.

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Microsoft Excel

Diffusivity calculation (polar)

Spreadsheet for diffusivity calculation, using a model developed in this group, for real systems containing at least one polar component. It is based on the Rice and Gray approach applied to the Stockmayer potential.

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Microsoft Excel

Diffusivity calculation (SC-CO2 and water)

Free-volume model for tracer diffusion coefficients, D12, developed for systems in supercritical CO2 and liquid water as solvents. It embodies the concepts of free volume and activation energy.

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Microsoft Excel

Diffusivities calculation (universal)

Universal model for accurate calculation of binary diffusivities of solutes infinitely diluted in gas, liquid and supercritical solvents. Based on a Lennard-Jones model, and contains two parameters: molecular diameter of the solvent and a diffusion activation energy. The model is universal since it is applicable to polar, weakly polar, and non-polar solutes and/or solvents, over wide ranges of temperature and density.

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