Polymers like poly(vinylpyrrolidone-co-vinyl acetate) (PVPVA) or hydroxypropyl methylcellulose acetate succinate (HPMCAS) are commonly used as a matrix for amorphous solid dispersions (ASDs) to enhance the bioavailability of the active pharmaceutical ingredients (APIs). The stability of ASDs is strongly influenced by the water sorption in the ASD from the surrounding air. In this work, the water sorption in the neat polymers PVPVA and HPMCAS, in the neat API nifedipine (NIF), and in their ASDs of different drug loads was measured above and below the glass-transition temperature. The equilibrium water sorption was predicted using the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) combined with the Non-Equilibrium Thermodynamics of Glassy Polymers (NET-GP).The water-sorption kinetics were modeled using the Maxwell–Stefan approach whereas the thermodynamic driving force was calculated using PC-SAFT and NET-GP. The water diffusion coefficients in the polymers, NIF, or ASDs were determined using the Free-Volume Theory. Using the water-sorption kinetics of the pure polymers and of NIF, the water-sorption kinetics of the ASDs were successfully predicted, thus providing the water diffusion coefficients in the ASD as a function of relative humidity and of the water concentration in polymers or ASDs.
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