Fig. 7: MD simulation.

The snapshot of the penetration of benzaldehyde into (a) TS-1 and (b) TS-1-C₃ in aqueous solution. The snapshot of the penetration of H₂ into (c) TS-1 and (d) TS-1-C₃ in aqueous solution. e Mean-squared displacements (MSD) of benzaldehyde (top) and H₂ (bottom) in TS-1 and TS-1-C₃ systems with water as a solvent.