Industrial scale simulations of tablet coating using GPU based DEM: A validation study

Kureck, Hermann; Govender, N.; Siegmann, Eva; Boehling, P.; Radeke, Charles; Khinast, Johannes G.

doi:10.1016/j.ces.2019.03.029

Cited by 62 publications

(16 citation statements)

References 49 publications

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“…XPS is a high-performance GPU-based code and has been successfully applied to a wide range of industry-scale applications in the pharmaceutical field, e.g. tablet coating [3], batch and continuous mixing [4,5], and fluidized bed coating [6]. Implementation details are given in Refs.…”

Section: Experimental Design Materials and Methodsmentioning

confidence: 99%

Particle-level residence time data in a twin-screw feeder

Toson

Khinast

2019

Data in Brief

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A full discharge process of a twin-screw feeder has been simulated with DEM (discrete element method). The result files are available at the Mendeley Data repository (https://doi.org/10.17632/d76rzzd8r7.1) and contain the following particle data: x,y,z coordinates of the initial position inside the feeder, particle radius, and the discharge time of each particle are available at three different initial feeder fill levels. With this data it is possible to generate residence time distributions (RTDs) of arbitrary spatial regions in the feeder to analyze the material flow inside the feeder, optimize refill strategies, and ultimately improve batch definition in continuous manufacturing. Example RTDs and evaluation scripts are available in the repository.

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Section: Experimental Design Materials and Methodsmentioning

confidence: 99%

Particle-level residence time data in a twin-screw feeder

Toson

Khinast

2019

Data in Brief

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“…The DEM software can be categorized into two types such as commercial software and open-source software. The former includes EDEM TM , Rocky DEM TM , Star CCM+, LS-DYNA ® , PFC 2D (3D) and the latter includes Mercury-DPM, YADE, LIGGGHTS and MFIX-DEM [5,6,170,171]. Based on the development of such available software, a large number of particles can be simulated within a relatively reasonable time [44,110].…”

Section: Comprehensive Theory Of Discrete Element Methodsmentioning

confidence: 99%

Application of the Discrete Element Method for Manufacturing Process Simulation in the Pharmaceutical Industry

Yeom

Kim

et al. 2019

Pharmaceutics

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Process simulation using mathematical modeling tools is becoming more common in the pharmaceutical industry. A mechanistic model is a mathematical modeling tool that can enhance process understanding, reduce experimentation cost and improve product quality. A commonly used mechanistic modeling approach for powder is the discrete element method (DEM). Most pharmaceutical materials have powder or granular material. Therefore, DEM might be widely applied in the pharmaceutical industry. This review focused on the basic elements of DEM and its implementations in pharmaceutical manufacturing simulation. Contact models and input parameters are essential elements in DEM simulation. Contact models computed contact forces acting on the particle-particle and particle-geometry interactions. Input parameters were divided into two types—material properties and interaction parameters. Various calibration methods were presented to define the interaction parameters of pharmaceutical materials. Several applications of DEM simulation in pharmaceutical manufacturing processes, such as milling, blending, granulation and coating, were categorized and summarized. Based on this review, DEM simulation might provide a systematic process understanding and process control to ensure the quality of a drug product.

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“…Over the past years, we have created a database of the most common twin-screw extruder elements of major pharma extruder manufacturers of various scales (12-mm, 16-mm, 18-mm, and 27-mm extruder sizes) (30,(83)(84)(85). Since analyzing the flow and mixing behavior in such detail is computationally expensive, we developed an in-house software for accelerated simulations running on graphic cards (GPUs): the eXtended Particle Systems (XPS) software (97)(98)(99)(100)(101)(102)(103)(104)(105)(106)(107)(108)(109). It is a powerful simulation platform for simulating not only complex fluids via SPH, but also complex powders via the discrete element method (DEM) with additional coupling to conventional CFD software.…”

Section: Process Development and Control Process Setup And Scale-up Vmentioning

confidence: 99%

Developing HME-Based Drug Products Using Emerging Science: a Fast-Track Roadmap from Concept to Clinical Batch

et al. 2020

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This paper presents a rational workflow for developing enabling formulations, such as amorphous solid dispersions, via hot-melt extrusion in less than a year. First, our approach to an integrated product and process development framework is described, including state-ofthe-art theoretical concepts, modeling, and experimental characterization described in the literature and developed by us. Next, lab-scale extruder setups are designed (processing conditions and screw design) based on a rational, model-based framework that takes into account the thermal load required, the mixing capabilities, and the thermo-mechanical degradation. The predicted optimal process setup can be validated quickly in the pilot plant. Lastly, a transfer of the process to any GMP-certified manufacturing site can be performed in silico for any extruder based on our validated computational framework. In summary, the proposed workflow massively reduces the risk in product and process development and shortens the drug-to-market time for enabling formulations.

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Industrial scale simulations of tablet coating using GPU based DEM: A validation study

Cited by 62 publications

References 49 publications

Particle-level residence time data in a twin-screw feeder

Particle-level residence time data in a twin-screw feeder

Application of the Discrete Element Method for Manufacturing Process Simulation in the Pharmaceutical Industry

Developing HME-Based Drug Products Using Emerging Science: a Fast-Track Roadmap from Concept to Clinical Batch

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