Table 2.
The details of solid dispersion systems in the simulation process.
| SD system no. | Weight ratio | Molar ratio | Numbers of ibuprofen | Numbers of polymer chains | Numbers of water molecules (water box) | Total atom number in the systems | Initial gyration radius |
|---|---|---|---|---|---|---|---|
| IBU/PEG | 1:5 | 4:5 | 4 | 5 | 29,529 (30 Å) | 89,434 | 13.37 Å |
| IBU/PVP | 1:10 | 4:8 | 4 | 8 | 30,894 (30 Å) | 94,012 | 13.75 Å |
| IBU/POL | 1:10 | 4:10 | 4 | 10 | 36,036 (30 Å) | 109,690 | 14.81 Å |
| IBU/PEG-2 | 1:5 | 16:20 | 16 | 20 | 22,579 (25 Å) | 71,125 | 15.37 Å |
| IBU/PVP-2 | 1:10 | 16:32 | 16 | 32 | 32,480 (25 Å) | 103,120 | 18.82 Å |
| IBU/POL-2 | 1:10 | 16:40 | 16 | 40 | 30,771 (25 Å) | 98,641 | 19.12 Å |