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

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Diffusivities in Supercritical CO2

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

SC-CO2 Diffusivities

Online Calculator

SC-CO2 and SC-CO2/cossolvent properties

Thermodynamic properties of supercritical carbon dioxide and cossolvent mixtures calculated using the PC-SAFT equation of state.

SC-CO2 Properties

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PC-SAFT Equation of State

Calculate properties of pure components and binary mixtures using the PC-SAFT equation of state.

PC-SAFT EoS

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Adsorption isotherm fitting

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

Isotherm fitting

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Air properties

Correlations to estimate the thermodynamic and transport properties of dry air at atmospheric pressure, for the range 200 - 400 K.

Air properties calculator

Online Calculator

Unit conversion

Covert between units of time, length, area, volume, mass, temperature, pressure, energy, speed, volumetric flow, density, and viscosity.

Unit conversion

Online Calculator

Utilities

A collection of useful constants and functions used in chemical engineering.

Unit conversion

Matlab file (32-bit system)

Carbon Dioxide Density

Determination of carbon dioxide density from the equation of state propose 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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