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My problem consists of a structure (say a cylinder) made from a homogenous distribution of a drug from a polymeric matrix. These compounds are mixed homogeneously in different concentrations (10% drug and 90% polymer, or, 20% drug and 80% polymer) and extruded to form the structure. This structure is immersed in a media.

As the structure interacts with the media, the drug and the polymer degrades into the media and the media is able to diffuse into the structure and the drug in the interior breaks down. This continues till the entire structure is degraded (however, I am interested in only till all drug has been released).

I want to find out how the structure will physically and chemically degrade. I also want to find out what the rate of drug dissolution in the media will look like, and how the structure would look in 3D over time.

Is there any computational tool that can model this problem and provide a solution.

Any help will be appreciated!!

  • 1
    $\begingroup$ Can one make the approximation that the diffusion time of the drug inside the structure dominates over the time that the drug crosses the boundary of the structure? Will the chemical degradation of the structure and drug happen rather homogeneously in space, or will it start from the outer parts of the structure? Is the chemical degradation rate insensitive to the products of the degradation (i.e. no autocatalysis or product inhibition), and also insensitive to whether the degradation happens on the boundary of the structure? Finally, how large is the structure? $\endgroup$
    – wzkchem5
    Aug 6, 2021 at 6:59
  • $\begingroup$ +1. Welcome to our new community and thank you for contributing your question here! We hope to see much more of you in the future !!! Could you please provide also the link to the original question on Chem.SE? $\endgroup$ Aug 9, 2021 at 16:30
  • $\begingroup$ This question has been closed as it seems to be abandoned. It can be reopened if someone wants to add an answer or the OP addresses questions/suggestions in the comments. $\endgroup$
    – Tyberius
    Dec 10, 2021 at 22:20