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. 2022 Apr 18;62(11):2639–2658. doi: 10.1021/acs.jcim.2c00104

Table 6. Collins–Kimball Theory, Steady-State Smoluchowski, and Stokes–Einstein Equation Mathematical Formulations.

Name Related formula Variables
Collins–Kimball theory
graphic file with name ci2c00104_m049.jpg
kapp: apparent rate constant
     
Steady-state Smoluchowski kD = 4πRDABNA kD: steady-state Smoluchowski
    kTST: thermal rate constant (obtained from TST)
    R: reaction distance
    NA: Avogadro number
    DAB: mutual diffusion coefficient of the reactants A (free radical) and B (antioxidant)
     
Stokes–Einstein equation
graphic file with name ci2c00104_m050.jpg
kB: Boltzmann constant
    T: temperature
    η: viscosity of solvent
    r: radius of solute