(288e) The Rigid Adsorbent Lattice Fluid Model Applied to the Correlation of Liquid Phase Partition Coefficients of Different Solvents in MFI Zeolites
AIChE Annual Meeting
Tuesday, November 12, 2019 - 9:20am to 9:40am
The methodology is applied to the very interesting behaviour of liquid phase adsorption in MFI zeolites. The homogeneous RALF model is shown to reproduce the observed trends for smaller solvent molecules (methanol and n-hexane). For longer chain hydrocarbons this breaks down due to the difference in behaviour between adsorption in the straight and sinusoidal channels and channel intersections of MFI zeolites. A modified RALF model that takes into account the different adsorption sites is parametrised using molecular simulations.