COSMOSPACE

[1] It was initially developed as an implicit solution to COSMO-RS.

This means that the local concentrations around the different types of molecules in a fluid mixture are taken independently from each other.

This leads to an inconsistency, which gives systematic errors for strong interacting molecules.

This is achieved by applying a self-consistent partition sum description of the ensemble of molecule surfaces.

Therefore, the COSMOSPACE model outperforms Uniquac in the description of vapor–liquid and liquid–liquid phase equilibria.