Table 1.
ISD3 simulation parameters for the 20 nm and 110 nm systems
| Parameters | 20 nm system | 110 nm system | Fitted Parameter? |
|---|---|---|---|
| Liquid media characteristics | |||
| Media height, L (m) | 0.00315 | 0.00315 | No |
| Media volume, V (mL) | 3 | 3 | No |
| Media temperature, T (K) | 310 | 310 | No |
| Media viscosity, μ(N s/m2) | 0.00074 | 0.00074 | No |
| Media density, ρf (g/mL) | 1 | 1 | No |
| Surface area, A (m2) | 0.000952 | 0.000952 | No |
| Initial particle characteristics | |||
| Particle state | Primary particles coated with proteins | Primary particles coated with proteins | |
| Primary particle size / diameter, dp (nm) | 20 | 110 | No |
| Primary particle density, ρp(g/cm3) | 10 | 10 | No |
| Thickness of protein layer, ΔRc(nm) | 12 | 22.5 | No |
| Effective diameter, dpc = dp + 2ΔRc(nm) | 44 | 155 | No |
| Effective density, ρpc(g/cm3) | 1.583 | 1.914 | No |
| Numerical grid spacing and time discretization | |||
| Grid spacing along particle diameter, ΔDp(nm) | 1 | 1 | No |
| Grid spacing along media height, Δx (m) | 3.1532E-6 | 3.1532E-6 | No |
| Total simulation time, tmax (h) | 24 | 24 | No |
| Parameters of the dissolution model | |||
| P0(FBS %) | 10 | 10 | No |
| Rate constant for the transfer of ions from the particle surface to the free ion state, kf(mL nm− 2 h− 1) | 6.00E-18 | 6.00E-18 | Yes |
| Saturated concentration of free ions in solution, (μg/mL) | 1 | 1 | Yes |
| Rate constant for the slow transfer of ions from the particle surface to the proteins, kp(mL nm− 2 h− 1) | 3.00E-17 | 3.00E-17 | Yes |
| Rate constant for the initial fast transfer of silver ions from the particle surface to the protein-bound state, kp2(mL nm− 2 h− 1) | 1.00E-15 | 1.00E-15 | Yes |
| Rate constant for the transfer of free ions from solution to the protein-bound state, kf2p(ug− 1 mL h− 1) | 0.0114 | 0.0114 | Yes |
| Rate constant for the transfer of ions from the protein-bound state to the free ion state, kp2f(ug− 1 mL h− 1) | 0.016 | 0.016 | Yes |
| n (μg mL−1 FBS%− 1) | 0.4 | 0.4 | Yes |
| n2(μg mL− 1 FBS%− 1) | 0.19822 | 0.19822 | Yes |
| Parameters of the cell uptake model for ions | |||
| Diffusion coefficient, D12(cm2/h) | 9.02e-9 | 9.02e-9 | Yes |
| Cell membrane thickness,Dis12(cm) | 7.8e-7 | 7.8e-7 | Yes |
| Cell:media silver ion partition coefficient, PC21 | 25.8 | 25.8 | Yes |
| Cell volume, Vcell(mL) | 1.936e-3 | 1.936e-3 | No |