Assessment of particle rearrangement and anisotropy in high-load tableting with a DEM-based elasto-plastic cohesive model

Cabiscol, Ramon; Finke, Jan Henrik; Kwade, Arno

doi:10.1007/s10035-019-0953-z

Cited by 9 publications

(8 citation statements)

References 64 publications

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“…Henceforth, the powders shall be referred to by the abbr A and MCC-P. A certain proportion of the MCC particles, particularly the sizes, are rounded agglomerates. Taking this into account, and due to th this approach in simulation, spherical shapes are used in DEM simulation characteristics particle size distribution (PSD) and true density, are given are available in the literature [41].…”

Section: Methodsmentioning

confidence: 99%

“…Taking this into account, and due to the simplicity of this approach in simulation, spherical shapes are used in DEM simulations. The powder characteristics particle size distribution (PSD) and true density, are given in Table 1 and are available in the literature [41].…”

Section: Methodsmentioning

confidence: 99%

“…As a consequence, only the parameters that are most significant to the validity of the simulation results are considered. Material parameters for the single particles and used in this study were obtained from the study of Cabiscol et al [41]. The calibration technique consists of bibliographical sources, experiments, and their replication by DEM simulations.…”

Section: Methodsmentioning

confidence: 99%

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Modeling of High-Density Compaction of Pharmaceutical Tablets Using Multi-Contact Discrete Element Method

et al. 2021

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The purpose of this work is to simulate the powder compaction of pharmaceutical materials at the microscopic scale in order to better understand the interplay of mechanical forces between particles, and to predict their compression profiles by controlling the microstructure. For this task, the new framework of multi-contact discrete element method (MC-DEM) was applied. In contrast to the conventional discrete element method (DEM), MC-DEM interactions between multiple contacts on the same particle are now explicitly taken into account. A new adhesive elastic-plastic multi-contact model invoking neighboring contact interaction was introduced and implemented. The uniaxial compaction of two microcrystalline cellulose grades (Avicel® PH 200 (FMC BioPolymer, Philadelphia, PA, USA) and Pharmacel® 102 (DFE Pharma, Nörten-Hardenberg, Germany) subjected to high confining conditions was studied. The objectives of these simulations were: (1) to investigate the micromechanical behavior; (2) to predict the macroscopic behavior; and (3) to develop a methodology for the calibration of the model parameters needed for the MC-DEM simulations. A two-stage calibration strategy was followed: first, the model parameters were directly measured at the micro-scale (particle level) and second, a meso-scale calibration was established between MC-DEM parameters and compression profiles of the pharmaceutical powders. The new MC-DEM framework could capture the main compressibility characteristics of pharmaceutical materials and could successfully provide predictions on compression profiles at high relative densities.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

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Modeling of High-Density Compaction of Pharmaceutical Tablets Using Multi-Contact Discrete Element Method

et al. 2021

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“…The discrete element modeling approaches are rather used to describe specific sub-processes such as the compression [ 22 , 23 , 24 , 25 ] or the die filling [ 26 , 27 , 28 , 29 , 30 , 31 , 32 ]. The particles in a typical DEM approach are modeled rigidly and are mainly used for explanatory models of physical behavior rather than for engineering purposes, which is to some extend the approach of the Finite Element Method (FEM), allowing the consideration of stresses within the machine design [ 22 , 33 , 34 ]. Baroutaji et al describe the development of a FEM simulating the tablet compression to analyze, for example, the density distributions and stress maps in tablets or the tooling geometry [ 22 ].…”

Section: Tableting and Its Simulationmentioning

confidence: 99%

Process Modeling and Simulation of Tableting—An Agent-Based Simulation Methodology for Direct Compression

et al. 2021

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In pharmaceutical manufacturing, the utmost aim is reliably producing high quality products. Simulation approaches allow virtual experiments of processes in the planning phase and the implementation of digital twins in operation. The industrial processing of active pharmaceutical ingredients (APIs) into tablets requires the combination of discrete and continuous sub-processes with complex interdependencies regarding the material structures and characteristics. The API and excipients are mixed, granulated if required, and subsequently tableted. Thereby, the structure as well as the properties of the intermediate and final product are influenced by the raw materials, the parametrized processes and environmental conditions, which are subject to certain fluctuations. In this study, for the first time, an agent-based simulation model is presented, which enables the prediction, tracking, and tracing of resulting structures and properties of the intermediates of an industrial tableting process. Therefore, the methodology for the identification and development of product and process agents in an agent-based simulation is shown. Implemented physical models describe the impact of process parameters on material structures. The tablet production with a pilot scale rotary press is experimentally characterized to provide calibration and validation data. Finally, the simulation results, predicting the final structures, are compared to the experimental data.

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“…The core of DEM is the contact model. Several contact models have been derived for addressing compaction within DEM, such as the model of Thornton and Yin (1991), the model of Storåkers et al (1997) and the Edinburgh's model (Cabiscol et al, 2019). Different models are suitable for EC 37,9 different stages.…”

Section: Introductionmentioning

confidence: 99%

Compaction effects on permeability of spherical packing

Zhang¹,

Tian

Chen

et al. 2020

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Purpose The purpose of this paper is to investigate the evolution of the permeability of spherical packing during cold compaction by pore-scale modeling. Design/methodology/approach The discrete element method (DEM) is used to generate spherical packing structure under different compressive pressures and the Lattice Boltzmann method (LBM) is adopted to calculate the permeability of each spherical assembly. Findings It is found that the decrease of the porosity is the main reason of the reduction in permeability in the initial compression stage, but its influence becomes insufficient in the late compression stages. Besides, two empirical formulas are obtained, which describe the relation between the permeability and the equivalent mean diameter and the variation of normalized permeability with compressive pressure, respectively. Research limitations/implications In this study, the authors study the spherical particles and ignore the non-spherical effects. Besides, the classical contact model, the linear-spring-damping model, is used in DEM, so the plastic deformation cannot be considered. Originality/value The DEM and the LBM are well combined to study the compaction effects on permeability of spherical packing. Two simple expressions of the spherical packing structure with uniform diameter distribution are given for the first time.

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Assessment of particle rearrangement and anisotropy in high-load tableting with a DEM-based elasto-plastic cohesive model

Cited by 9 publications

References 64 publications

Modeling of High-Density Compaction of Pharmaceutical Tablets Using Multi-Contact Discrete Element Method

Modeling of High-Density Compaction of Pharmaceutical Tablets Using Multi-Contact Discrete Element Method

Process Modeling and Simulation of Tableting—An Agent-Based Simulation Methodology for Direct Compression

Compaction effects on permeability of spherical packing

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