Table 1.
System number | System name | Dimensions of simulation box (Å) | Species present (concentration in M) | N/P ratio |
---|---|---|---|---|
I | PEI(20) | 97 × 102 × 80 | PEI with 20 repeating units, all protonated | 1:1 |
22 Na+ (0.05) | ||||
20 Cl− (0.05) | ||||
II | PLL(20) | 110 × 80 × 90 | PLL with 20 lysine units, all protonated | 1:1 |
22 Na+ (0.05) | ||||
20 Cl− (0.05) | ||||
III | 50%-PEI(20) | 95 × 100 × 80 | PEI with 20 repeating units, 10 protonated | 1:1 |
27 Na+ (0.06) | ||||
15 Cl− (0.04) | ||||
IV | 50%-PEI(40) | 107 × 117 × 70 | PEI with 40 repeating units, 20 protonated | 2:1 |
22 Na+ (0.05) | ||||
20 Cl− (0.05) | ||||
V | 3-PEI(20) | 107 × 100 × 110 | Three PEI chains each with 20 repeating units with 10 protonated | 3:1 |
22 Na+ (0.03) | ||||
30 Cl− (0.05) | ||||
VI | Na+ | 95 × 102 × 80 | 42 Na+ (0.09) | N/A |
20 Cl− (0.05) |