Welcome to

A versatile, open-source thermodynamics toolkit for all your modelling needs.

Basics

Bulk Properties

Obtain pure-component bulk properties, such as densities and heat capacities, at a given temperature and pressure.

Saturation Properties

Obtain pure-component saturation properties, such as saturated liquid and vapour densities, and saturation pressures.

Excess Properties

Obtain excess properties of a binary mixture at a given temperature and pressure.

Binary Phase Diagrams

Obtain binary phase diagrams, such as pxy, Txy and pT projections.

Ternary Phase Diagrams

Obtain ternary phase diagrams, for liquid–liquid and vapour–liquid equilibria, at a given temperature and pressure.

Parameter Estimation

Estimate the PC-SAFT parameters for a pure-component using pseudo-experimental data.

Applications

Pharmaceuticals

Obtain API solubilities for a range of temperatures and mixed solvents.

Polymers

Obtain polymer-gas solubilities and polymer blend cloud points using PC-SAFT.

Electrolytes

Obtain electrolyte mean ionic activity coefficients, osmotic coefficients and saturation pressure.

Extensions

Uncertainty Propagation

Observe the effect of uncertainties within the PC-SAFT parameters for a pure-component.

Classical DFT

Predict the surface and interfacial tensions of a fluid using classical density functional theory.

Transient Diffusion

Predict the gas-phase diffusion from a point source of fragrance molecules using UNIFAC.