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


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.

Publication DOI:
Divisions: Engineering & Applied Sciences > Chemical Engineering & Applied Chemistry
Engineering & Applied Sciences > Aston Institute of Materials Research (AIMR)
Engineering & Applied Sciences > European Bioenergy Research Institute (EBRI)
Additional Information: 3rd International Conference on Particulate Processes in the Pharmaceutical Industry
Uncontrolled Keywords: dissolution,simulation,lattice Boltzmann method,x-ray microtomography,CPU–GPU computation
Full Text Link: http://eprints. ... _coversheet.pdf
Related URLs: http://eprints. ... _coversheet.pdf (Organisation URL)
https://www.sci ... 4810?via%3Dihub (Publisher URL)
PURE Output Type: Article
Published Date: 2013-05
Published Online Date: 2012-07-05
Authors: Yuan, Qingchun ( 0000-0001-5982-3819)
Jia, Xiaodong
Williams, Richard A.

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