Table 1.
Details of PNC systems considered in experiments and MD simulations
| NP | Mode | L |
|---|---|---|
| SN | Experiment | 5 ± 1 nm |
| NR | Experiment | 12 ± 2 nm |
| TP5 | Experiment | 5 ± 1 nm |
| TP11 | Experiment | 11 ± 2 nm |
| TP14 | Experiment | 14 ± 2 nm |
| SN | MD Simulation | 1 σ |
| NR2 | MD Simulation | 2 σ |
| NR4 | MD Simulation | 4 σ |
| NR8 | MD Simulation | 8 σ |
| TP2 | MD Simulation | 2 σ |
| TP4 | MD Simulation | 4 σ |
| TP8 | MD Simulation | 8 σ |
| TP10 | MD Simulation | 10 σ |
L denotes the length for an NR, the arm length for a TP, and the diameter for an SN. NP loading is maintained constant (1 wt%) in all the experiments and MD simulations.