HPC enabled parallel, multi-scale & mechanistic model for high shear granulation using a coupled DEM-PBM framework

作者: Chaitanya Sampat , Yukteshwar Baranwal , Ioannis Paraskevakos , Shantenu Jha , Marianthi Ierapetritou

DOI: 10.1016/B978-0-444-64241-7.50238-X

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摘要: Abstract A multiscale model combines the computational efficiency of a macro-scale and accuracy micro-scale model. With current cyberinfrastructure resources available, using more computationally intensive concurrent models are feasible. This study proposes to use Discrete Element Method (DEM) Population Balance Model (PBM) in simultaneous manner granulation process pharmaceutical product inside high shear granulator. The DEM provides collision data while PBM helps predicting macroscale phenomena like aggregation breakage. execution each components is governed by multilevel job scheduler which allocates resources. method shorter bursts simulation led faster times as well accurate Quality Design (QbD) approach addressed such modelling framework it also us understand quantitative mechanistic manner.

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