Validation of a multi-component digital dissolution model for irregular particles

Qingchun Yuan, Xiaodong Jia, Richard A. Williams

Research output: Contribution to journalArticlepeer-review


A new mesoscale simulation model for solids dissolution based on an computationally efficient and versatile digital modelling approach (DigiDiss) is considered and validated against analytical solutions and published experimental data for simple geometries. As the digital model is specifically designed to handle irregular shapes and complex multi-component structures, use of the model is explored for single crystals (sugars) and clusters. Single crystals and the cluster were first scanned using X-ray microtomography to obtain a digital version of their structures. The digitised particles and clusters were used as a structural input to digital simulation. The same particles were then dissolved in water and the dissolution process was recorded by a video camera and analysed yielding: the overall dissolution times and images of particle size and shape during the dissolution. The results demonstrate the coherence of simulation method to reproduce experimental behaviour, based on known chemical and diffusion properties of constituent phase. The paper discusses how further sophistications to the modelling approach will need to include other important effects such as complex disintegration effects (particle ejection, uncertainties in chemical properties). The nature of the digital modelling approach is well suited to for future implementation with high speed computation using hybrid conventional (CPU) and graphical processor (GPU) systems.
Original languageEnglish
Pages (from-to)25-30
Number of pages6
JournalPowder Technology
Early online date5 Jul 2012
Publication statusPublished - May 2013

Bibliographical note

3rd International Conference on Particulate Processes in the Pharmaceutical Industry


  • dissolution
  • simulation
  • lattice Boltzmann method
  • x-ray microtomography
  • CPU–GPU computation


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