(99a) Discrete Element Modeling to Predict Triboelectrification in Pharmaceutical Powders
The charge transfer patterns of two different sizes of Micro crystalline cellulose (MCC) has been analyzed using a simple unidirectional hopper-chute geometry against two different material surfaces (Aluminum and PVC). Experiments similar to DEM simulations are also performed to validate the model. The triboelectric series obtained from the quantum scale calculation puts the work function in the order Al<MCC (with moisture) < MCC (no moisture) <PVC . Alteration of work functions due to the variation of moisture content are accomplished by introducing water monolayers to MCC slabs in the course of the quantum calculations. Both size fractions of MCC particles charged positively against PVC surfaces, while charged negatively against Aluminum in the DEM simulations and in experiments. Various surface and bulk analytical techniques have also been implemented to analyze and co-relate the effects of size fractions on triboelelectrification. No significant bi polarity between the different size fractions of MCC could be confirmed in the hopper chute experiments. However, based on the specific moisture content of the individual particles, the larger MCC particles are found to have increased number of moisture molecules compared to the smaller size fractions. The DEM model is simulated accordingly, suggesting the larger particles to charge positively due to increased number of moisture molecules in coming in contact with the smaller counterparts, which charge negatively. The polarities of the net charge of the system were significantly dependent on the chute wall materials due to dominant particle wall interactions. The final charge of the system from DEM based simulations were in accordance to the charge profiles obtained in the hopper chute experiments. In order to further validate the inter-particle charge transfer in the experiments, two different size fractions of the MCC particles are introduced in a vibrating cylinder at different concentration, and the net charge of the system tend to alter the charging patterns (magnitude and polarity) based on the concentration of large or small particles. DEM simulations performed on vibrated cylinders confirm the experimental findings.
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