In spite of the long history of application and studies of the multicomponent adsorption in micro-porous solids, advances in its modeling may still be attributed as unsatisfactory. Due to large variability of the adsorbents, an adsorption model that is applicable practically should be capable of predicting binary adsorption based on single-component adsorption isotherms. Only a limited number of models claim such a capability, and they are all successful for only a relatively narrow range of the, usually simple, mixtures and traditional adsorbents such as activated carbon.
Out of these models, the multicomponent potential adsorption theory (MPTA) has, probably, the widest range of applicability. Based on the earlier works of M. Polanyi, this approach has been developed by A. Shapiro and E.H. Stenby and later expanded by M. Monsalvo and A. Shapiro. This theory describes adsorption as segregation of a mixture in an external potential field emitted by the surface of the adsorbent. The MPTA has been successful in the description of the complex adsorption cases, e.g., supercritical adsorption or strongly non-Langmuir behavior. For such cases the MPTA is superior compared to other predictive adsorption models, like the classical Ideal adsorption solution theory (IAST). However, there are also many cases where the current version of the MPTA is not capable of describing the adsorption equilibria. The model faces difficulties when describing adsorption from liquid solutions, adsorption of the polar or associating compounds, on the nontrivial adsorbents like silica gels, or, especially, when the above mentioned factors are present together.
The goal of the present project is to attempt extending the MPTA onto adsorption of the mixtures containing polar or associating compounds. Attention must especially be paid to adsorption of water and other production chemicals, as well as adsorption on silica gels.
Head of project: Assoc. Prof. Alexander Shapiro, ash@kt.dtu.dk
Co-supervisor: Prof. Georgios Kontogeorgis, gk@kt.dtu.dk
Post Doc: Igor Nesterov, igne@kt.dtu.dk