Water Purication Devices: State-of-the-Art Review

Partial solvation parameters and the equation-of-state approach

“…For many reasons, primarily arising from the misfit energy term of COSMO-RS, we will not adopt this definition here. In line with our previous work [26][27][28][29][30], s pz , in the case of heterosolvated compounds, is given by the following equation:…”

“…In this way, we will develop the links between the above equation-of-state and the PSP approach. The focus in this section will be on extending the socalled sigma-scheme of PSPs [26][27][28][29][30]. The s-scheme of PSPs is discussed in Appendix A.…”

“…In this section we will recall the definitions of PSPs [25][26][27][28][29][30] and re-express them in equation-of-state terms. In this way, we will develop the links between the above equation-of-state and the PSP approach.…”

“…In the sigma-scheme [26][27][28][29][30], the first molecular descriptor, s W , reflects the weak dispersion forces. It is called van der Waals PSP and is obtained from the COSMO-RS van der Waals energy [2,19], E vdW , and the molar volume, V, through the defining equation:…”

“…In a series of recent papers [25][26][27][28][29][30] an effort was made to develop a simple predictive tool for the thermodynamic properties of pure fluids and their mixtures by combining features from Abraham's LSER approach [15,16], Hansen's Solubility Parameter approach [7][8][9] and COSMO-RS [2,[17][18][19] theory. The new approach is called partial solvation parameter (PSP) approach and has been applied already in a variety of challenging applications from solubilities and phase equilibria to chromatography and interfacial phenomena while the molecular sizes were ranging from small gas or solvent molecules to high polymers and glasses.…”