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Solubility parameters of PP, HNTs and carvacrol and their enthalpy of mixing, calculated using molecular dynamics simulation.
| Materials and Their Combinations | δ, MPa0.5 | ΔHmix, MJ·m−3 |
|---|---|---|
| PP | 20.05 | |
| Carvacrol | 23.36 | |
| HNTs | 23.77 | |
| PP-HNTs | 17.36 | −107 |
| PP-HNTs-carvacrol | 17.05 | −103 |
δ—Solubility parameter; ΔHmix—Enthalpy of mixing.
