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Table 1 ISD3 simulation parameters for the 20 nm and 110 nm systems

From: ISD3: a particokinetic model for predicting the combined effects of particle sedimentation, diffusion and dissolution on cellular dosimetry for in vitro 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, ρ f (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, d p (nm) 20 110 No
 Primary particle density, ρ p (g/cm3) 10 10 No
 Thickness of protein layer, ΔR c (nm) 12 22.5 No
 Effective diameter, d pc  = d p  + 2ΔR c (nm) 44 155 No
 Effective density, ρ pc (g/cm3) 1.583 1.914 No
Numerical grid spacing and time discretization
 Grid spacing along particle diameter, ΔD p (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, k f (mL nm− 2 h− 1) 6.00E-18 6.00E-18 Yes
 Saturated concentration of free ions in solution, \( {C}_{sat}^{diss,f} \)(μg/mL) 1 1 Yes
 Rate constant for the slow transfer of ions from the particle surface to the proteins, k p (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, V cell (mL) 1.936e-3 1.936e-3 No