Governing Equations
Supersaturation Index:
SI = C_dissolved / C_equilibrium
SI > 1 → thermodynamic supersaturation
SI > 3 → high risk of precipitation
Amorphous Solid Dispersion (ASD):
Solubility_enhancement = 5–20× base solubility
Sustained supersaturation via polymer matrix
Co-solvent (e.g., ethanol, PEG 400):
log S_mix = Σ fi · log Si
fi = volume fraction of component i
Surfactant (Tween 80, Cremophor):
CMC-based micellar solubilization
S = S_aqueous + k · (Csurf - CMC)
Salt Formation:
pH-dependent solubility: S = S0 · (1 + 10^(pH - pKa))
Predicted Fa (Biorelevant):
Fa = f_dissolution · f_permeability
f_diss = min(1, S_enhanced · 250 / Dose)
f_perm = 1 - exp(-2 · Peff / 5)