Fig. 3: Finite element modeling and mass transfer simulation of the photoisomerized MOFs. | Nature Communications

Fig. 3: Finite element modeling and mass transfer simulation of the photoisomerized MOFs.

From: Photoisomerization-mediated tunable pore size in metal organic frameworks for U(VI)/V(V) selective separation

Fig. 3

a Diagram of the theoretical open/closed conformational transition of PSZ-70 and PSZ-60. b Simulation of the structure of the composite material in COMSOL software in the open and closed states of the photoswitch ((i) Construction of axisymmetric model; (ii) the two-dimensional geometric model of the pore structure when the photoswitch is under the open-state; (iii) the two-dimensional geometric model of the pore structure when the photoswitch is under the closed-state). c Illustration of the swimming behavior of ions in photoisomeric composites driven by an electric field (with K+ and Cl− as examples). d Heatmap of the concentration flux of K+ in the experimentally simulated system in the photoswitch open state.

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