Noticeable molecular weight and temperature dependency for physisorption behavior of semiflexible, non-charged poly(9,9-n-dioctylfluorene) (PF8) onto cuboidal γ-alumina in toluene were found. MM/MD simulations (CVFF) and quantum mechanical (MP2/6-31G(d,p)) calculations suggested that PF8 swaps interacting toluene for (110) surface of γ-alumina by changing the interaction from CH/π interactions to C-H/O interactions of γ-alumina in toluene. The competition between multiple intermolecular CH/π and C-H/O interactions was crucial whether the spontaneous physisorption of PF8 occurs in place of solvent quantity of toluene. The solution-phase physisorption systems should be the consequence of several weak attractive intermolecular interactions coexisting between polymers, surface, and solvents
- Kazuki Yamazaki
- Ayako Nakao
- Michiya Fujiki
