Calculations with the PC-SAFT equation of state

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

System conditions:

Temperature

°C

Pressure

bar

Molar fraction

mol/mol

Molar mass

g/mol

PC-SAFT equation parameters:

Segment number (m)

Segment diameter (σ)

Å

Dispersion energy (ε/k)

Association volume (k_ab)

Association energy (ε_ab/k)

Interaction parameter (k_ij)

Mixture properties:

Molar mass

g mol^-1

Molar density

mol m^-3

Mass density

kg m^-3

Enthalpy of vaporization

J mol^-1

Vapor pressure

Residual enthalpy

J mol^-1

Residual entropy

J mol^-1 K^-1

Residual Gibbs energy

J mol^-1

Fugacity coefficient

Compressibility factor

Residual Helmholtz energy

J mol^-1

Notes

This calculator implements the PC-SAFT equation of state.

PC-SAFT (Perturbed Chain - Statistical Associating Fluid Theory) is an equation of state developed by J. Gross and G. Sadowski. It is based on statistical associating fluid theory (SAFT) and makes use of statistical mechanical methods. Unlike other SAFT equations of state that used unbonded spherical particles as a reference fluid, PC-SAFT uses spherical particles in the context of hard chains as reference fluid.

Help

For a single component mixture leave all Comp 2 inputs blank. The interaction parameter should also be blank.

Molar fraction of component 2 is calculated automatically.

Regarding the PC-SAFT equation of state parameters:

Parameters for multiple molecules can be found in the references below.
The association volume parameter (k_ab) should be set to 0 for non associating compounds.
The association energy parameter (ε_ab/k) should be set to 0 for non associating compounds.

References

J. Gross, G. Sadowski. Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules, Ind. Eng. Chem. Res., 2001, 40(4) 1244–1260.

J. Gross, G. Sadowski. Application of the Perturbed-Chain SAFT Equation of State to Associating Systems, Ind. Eng. Chem. Res., 2002, 41(22) 5510–5515.