Tools Programs developed by the EgiChem group

Property estimation

Online Calculator

PC-SAFT Equation of State

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

PC-SAFT EoS

Online Calculator

Joback method

Estimation of pure component physical properties using the Joback Group Contribution method.

Joback method

Diffusion coefficients

Online Calculator

Diffusion coefficients - binary gases

Estimated using the empirical correlation of Wilke and Lee (1955) for binary gas systems at low pressure.

Gas Diffusivities

Online Calculator

Diffusion coefficients - polar/nonpolar solvents

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

ML polar/nonpolar

Online Calculator

Diffusion coefficients - Supercritical CO2

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

ML SC-CO2

Online Calculator

Diffusion coefficients - Rice and Gray model

Diffusion coefficients of a solute in a solvent calculated using the Rice and Gray model.

Rice and Gray model

Online Calculator

Diffusion coefficients - Wilke-Chang

Diffusion coefficients of a solute in a solvent calculated using the Wilke-Chang equation.

Wilke-Chang

Supercritical fluids

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

Psychrometrics

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

Online Calculator

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

Adsorption

Online Calculator

Adsorption isotherm fitting

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

Isotherm fitting

Online Calculator

Klinkenberg model

Modeling and fitting adsorption kinetics using Klinkenberg model.

Klinkenberg model

Others

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.

Utilities

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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