Abstract: A method for computing the release rate of a controlled release drug and medical device using a combination of imaging data and computational physics is described. The method employs a three-dimensional digital representation of a drug sample, derived from two-dimensional or three-dimensional imaging, which captures the drug active pharmaceutical ingredient (API), excipients, and porosity with distinctive contrasts. Direct numerical simulations are conducted on the three-dimensional digital representation to derive effective transport properties of the API going through a porous matrix or membrane. Drug release rate can be predicted more efficiently than laboratory-based methods. When there is strong heterogeneity presented in the drug, a further method is described that engages imaging and release simulations at multiple scales. Computerized systems and programs for performing the methods are also described.

Abstract: A method for computing physical properties of materials, such as two-phase and three-phase relative permeabilities through a porous material, is described. The method employs single or multi-scale digital images of a representative sample which capture one or multiple fractionations of a micro-structure size cascade at the respective, required imaging resolutions. At a high resolution, the method computes basic physical properties, such as absolute permeabilities with a numerical method such as computational fluid dynamics solving the Navier-Stokes equation, and capillary pressure with simulations solving Young-Laplace equation. Saturation states of multiple fluids are combined to derive capillary pressure relationships at low resolutions when necessary.