Table 1.
Interaction potentials of the referenced model and corresponding parameters.
| Interaction type | Potential | Parameters |
|---|---|---|
| Tail–tail | Vsc | ϵ = 1, σLJ = 1, rc = 2σLJ |
| Head–tail | ϵ = 1, σLJ = 1.05, rc = 1σLJ | |
| Solvent–tail | ϵ = 1, σLJ = 1.1, rc = 1σLJ | |
| Head–head | ||
| Solvent–head | ||
| Solvent–solvent | None | |
| Bond length | V FENE | νFENE = 100, r0 = 0.7, Δrm = 0.2 |
| Bond angle | V ba | νba = 4.7 |
r is the distance of the connecting vector of two particles and θ is the angle between every three adjacent beads. The SI values are calculated using σLJ ~ 6Å and ϵ ~ 3.6.10−21J (Neder et al., 2010).