Validation of Computational Fluid Dynamics Solver for Drug Dissolution and Transport in USP2 Apparatus

  • Brangule, A. (Co-author)
  • Normunds Jekabsons (Speaker)
  • Sabine Upnere (Co-author)

Activity: Talk or presentation types › Oral presentation

Description

The study is a part of the larger research plan aimed to create a drug dissolution model based on the application of surrogate modeling by applying Computational Fluid Dynamics (CFD) and drug release/disintegration kinetics approaches to reduce resources and environmental impact needed for a new drug delivery system development. Development and experimental validation of CFD models for a simple, laboratory controlled systems as the first step are the main subjects of the ongoing efforts.. The pure drug (paracetamol, acetaminophen, IUPAC N-(4-hydroxyphenyl) dissolution in a water was used due to its simplicity, availability and already existing large knowledge base. CFD simulations of paracetamol tablet dissolution and diffusive/convective transport in USP2 apparatus was carried out for different revolution speeds and other model parameters. Open sourced CFD toolkit OpenFOAM as the main simulation platform was chosen for its growing popularity and general accessibility. Devoted CFD solver reactorDyMCFoam acting on rotating mesh (based on pimpleDyMFoam) with concentration field addition was developed in C++ and tested with the basic cases from literature. Turbulence was modeled with Large Eddy Simulation turbulence models and by direct solution of incompressible Navier-Stokes equations. Validation experiments was carried out at RSU with USP apparatus and another equipment. Several angular velocities for USP2 paddle rotation were used for CFD model calibration. A few dissolution experiments were performed with another methodology.. The main numerical difficulty for direct CFD simulation of above mention system is very small values of paracetamol diffusion in the water (~6x10-10 m2/s). Fine tuning of region mesh and introduction of special boundary conditions for concentration was necessary ensure an acceptable CFD predictability. . The overall main solution kinetics trends are captured by the CFD models and results are available for further surrogate modelling.
Period29 Mar 2023
Event titleRSU International Research Conference 2023: Knowledge for Use in Practice
Event typeConference
OrganiserRīga Stradiņš University
LocationRiga, LatviaShow on map
Degree of RecognitionInternational

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