Selection function in breakage processes: PBM and Monte Carlo modeling

Kaur

et al. 2022

Proc. R. Soc. A.

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The mesoscale population balance modelling (PBM) technique is widely used in predicting aggregation processes. The accuracy and efficiency of PBM depend on the formulation of its kernels. A model of the volume- and time-dependent one-dimensional aggregation kernel is developed for predicting the temporal evolution of the considered particulate system. To make the developed model physically relevant, the PBM model needs three unknown parameters as input: volume-dependency in collisions, collision frequency per particle and aggregation probability. For this, the microscale discrete element model (DEM) is used. The system’s collision frequency is extracted periodically using a novel collision detection algorithm that detects and ignores duplicate collisions. Finally, a multiscale bi-directional PBM–DEM coupling framework is presented to simulate the aggregation mechanism. PBM and DEM simulations take place periodically to update the particle size distribution (PSD) and extract the collision-frequency, respectively. The coupling framework successfully explains the dependence between the PSD and the collision frequency. Additionally, computational cost of the algorithm is optimized while maintaining the accuracy of the results. Lastly, the accuracy and efficiency of the developed framework are verified using two different test cases. In one of the examples, a simple aggregation is simulated directly inside the DEM for the first time.

Section: (V) Population Balance Modelling-discrete Element Model Coup...mentioning

confidence: 99%

An efficient multiscale bi-directional PBM-DEM coupling framework to simulate one-dimensional aggregation mechanisms

Kaur

et al. 2022

Proc. R. Soc. A.

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“…It is assumed that this small volume represents the original system. Often the simulated volume (

V_{normals normali normalm}

) is considered to be much smaller than the actual system because of the limitation of computational power (Das et al, 2020). In our work, we consider a simulation box initially containing 1,000 uninfected cells (

N_{CU} = 1, 000

) and 10,000 wild‐type viruses (

N_{normalW normalV} = 10000

).…”

Section: Mathematical Modelmentioning

confidence: 99%

A detailed model and Monte Carlo simulation for predicting DIP genome length distribution in baculovirus infection of insect cells

Biotech & Bioengineering

Dutta

Sen

et al. 2020

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Baculoviruses have enormous potential for use as biopesticides to control insect pest populations without the adverse environmental effects posed by the widespread use of chemical pesticides. However, continuous baculovirus production is susceptible to DNA mutation and the subsequent production of defective interfering particles (DIPs). The amount of DIPs produced and their genome length distribution

“…The breakage distribution function corresponding to one-dimensional continuous random binary breakage mechanism is . In this case, the mother particle with dimension y randomly breaks into two smaller fragments with dimensions x and ( y – x ), where x is any uniformly distributed random number in the interval (0, y ).…”

Section: Mathematical Modelingmentioning

confidence: 99%

“…Though the breakage selection function is timedependent in nature, mostly researchers have considered it to be time-independent. Recently, Das et al 22 formulated a mathematical model of the monovariate breakage selection function that predicts the MC simulation results with good accuracy. In their study, the authors partitioned the selection function as a product of a volume-dependent part of the selection function, a time-dependent part of the selection function, and the probability of successful stressing events.…”

Section: B X X Y Y X X Y Y ( ) D D ( )mentioning

confidence: 99%

Sonofragmentation of Rectangular Plate-like Crystals: Bivariate Population Balance Modeling and Experimental Validation

Crystal Growth & Design

Bhoi

Sarkar

et al. 2020

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The use of multidimensional population balance equations in predicting ultrasound-assisted sonocrystallization processes is curbed by the unavailability of physically motivated macroscopic mathematical kernels. This study develops a comprehensive population balance modeling of the ultrasound-assisted sonofragmentation of thin rectangular plate-type pyrazinamide crystals. A new bivariate breakage selection function is presented, which takes care of the time dependence in particle selections along with the size dependence. Furthermore, a new mathematical formulation of the bivariate breakage distribution function is introduced to predict the outcomes of the sonofragmentation experiments of Bhoi et al. (Chem. Eng. Sci.20192031227). Finally, the results obtained from solving the developed population balance model are successfully validated against the experimental results. The developed population balance model accurately captures the effects of variations in ultrasonic amplitude and sonication time.