A concurrent approach for process design and multicomponent adsorption modeling with local isotherms

Separation and Purification of Furans from n-Butanol by Zeolitic Imidazole Frameworks: Multicomponent Adsorption Behavior and Simulated Moving Bed Process Design

“…As explained in our recent work, this approach leads to empirically useful models that lump together the effects of the solid (ZIF-8) phase as well as the intercrystalline fluid phase in the ZIF-8 particles. 21 Furthermore, the experimental liquid-phase compositions are selected to lie in the composition space expected to be sampled by the SMB. We first used the ML model for the SMB process development.…”

“…A simple adsorption model is parametrized using a small number of adsorption measurements and then used to conduct an initial SMB simulation. The predicted SMB concentration profiles are used to select additional points in the composition space for experimental adsorption measurements, which allow “concurrent” improvement of both the adsorption model and the SMB simulation prediction in the next iteration. , In this manner one can quickly converge to a narrow region of SMB operating conditions relevant to the desired separation. Clearly, the separation process must undergo a final “tuning” by conducting a limited number of experimental SMB runs and adjusting the operation parameters appropriately to reach the desired separation.…”

“…All details pertaining to materials, synthesis and preparation methods, adsorption and mass transfer measurements and analysis, and SMB process design are provided in the Supporting Information. The relevant literature references ,,− are also cited therein.…”

“…Several approaches to SMB process design have been developed in the literature, with multicomponent separation problems generally requiring detailed simulation of the adsorption and transport phenomena occurring in each zone in order to identify the appropriate range of operating conditions within a large operating parameter space. Here we chose an iterative approach (referred to as a “concurrent approach”) , to efficiently arrive at a workable SMB design. Key unary/binary adsorption measurements were conducted for fundamental understanding, and multicomponent adsorption behavior was incorporated using an iterative approach to refine the thermodynamic model and SMB simulations.…”

Separation of multicomponent aromatic/aliphatic mixtures by simulated moving bed adsorption: Modeling and experiments

“…It has found significant applications in the petrochemical, biorefinery, and pharmaceutical sectors. Most literature reports focused on the separation of binary or ternary streams 28–31 . In our recent work, we studied SMB separation of a simple aromatic/alkane mixture at room temperature, and demonstrated a “concurrent” modeling and experimental optimization approach to quickly achieve workable operating conditions without knowledge of a globally valid adsorption model.…”