Development of a universal group contribution model for single-component and multicomponent adsorption of liquids on various adsorbents (UGCMA)

A new approach to the complex topic of liquid-phase adsorption onto a solid surface is presented in this paper using group contribution models, as they are already successfully applied to the VLE and LLE. Not only are the interactions between the groups of the liquid components in the surface phase, which differ with regard to the bulk phase, taken into consideration but also the adsorption-specific interactions with the solid surface are treated now in terms of group contributions. The interaction parameters have to be fitted to experimental surface-excess data as well as to-those of heats of immersion. Once well-fitted parameters are finally available, heats of immersion, surface-phase activity coefficients, and phase equilibrium can be calculated. The introduction of special parameters, which take account-of the geometrical and energetical heterogeneity of the surface, offers the possibility of applying the developed model to various adsorbents.