Fig. 2: Optimization of CD/PDMS PPR synthesis in different solvents.

Gibbs free energy changes during the formation of α-CD/PDMS, β-CD/PDMS, and γ-CD/PDMS PPRs, along with the maximum rCD:PDMS and reaction yields in water, DMF, and ethanol baths. The ΔG values were obtained via molecular simulations, while the maximum rCD:PDMS and yields were determined through experimental validation. “/” indicates missing data; “–” indicates data excluded due to poor repeatability.