Multiscale models for reconstitution of compacted powders

Dipl.-Ing. Amine Ait Ouazzou

TUSAIL project

TUSAIL is an Innovative Training Network which comprises 16 academic and industrial partners in total, led by the University of Edinburgh. TUSAIL stands for “Training in Upscaling Particle Systems: Advancing Industry across Length-scales”. Over the course of four years, from the beginning of the project in March 2021, TUSAIL will train 15 early-career researchers to meet industry’s requirements for highly skilled staff in the multi-disciplinary field of upscaling industrial particle processes. The reliable, validated simulation methodologies and tools developed in TUSAIL will be disseminated to industry, enabling quantitative predictions of large industrial processes which will be of value for design, operation and optimization.

Motivation and project structure

TUSAIL is an Innovative Training Network which comprises 16 academic and industrial partners in total, led by the University of Edinburgh. TUSAIL stands for “Training in Upscaling Particle Systems: Advancing Industry across Length-scales”. Over the course of four years, from the beginning of the project in March 2021, TUSAIL will train 15 early-career researchers to meet industry’s requirements for highly skilled staff in the multi-disciplinary field of upscaling industrial particle processes. The reliable, validated simulation methodologies and tools developed in TUSAIL will be disseminated to industry, enabling quantitative predictions of large industrial processes which will be of value for design, operation and optimization.

Particle systems are ubiquitous both in industry and in our daily lives, from pharmaceuticals and bulk chemicals to agricultural products (rice, grains, flour) and formulated consumer goods (detergent powders, infant formula, instant coffee). A major challenge in industry is dealing with the multi-scale nature of particle systems; the behavior of a large-scale industrial process ultimately depends on how individual particles interact with one another. Industrial surveys report that almost 10% of global energy is wasted because 40% of the capacity of industrial plants is lost due to undesired and misunderstood particle phenomena.

At present, simulation methods struggle to meet this challenge. Particle-scale modeling techniques provide a wealth of useful information, but for relatively small numbers of particles, so cannot be used to design, control or optimize an industrial-scale process in a robust way. Modeling techniques which can be applied at large scale lack the crucial physics originating from interparticle interactions.

The overarching research goal of TUSAIL is to establish physics-based modeling, starting from characterizing a small amount of a powder, to predict the behavior of large industrial unit operations and processes via reliable upscaling methodologies and tools, bridging the gap between micro-mechanics and the industrial scale. Four main unit operations will be considered: mixing, transport and discharge, milling and agglomeration. Three complementary upscaling approaches will be developed based on:

  1. Population balance modeling (PBM).
  2. Coarse-grained meso-particle methods.
  3. Coupling between discrete and continuum methods.

Each of these three upscaling approaches forms a core work package (WP) of TUSAIL, similar numbers of early-stage researchers (ESRs) will contribute to each of these WPs. A fourth, overarching WP involves experiments at various length scales including single-particle characterization tests and element tests for calibration, and lab-scale, pilot-scale and industrial-scale experiments for process validation. The interaction of the four scientific work packages and the participation of ESRs in them is graphically summarized in an interaction roadmap.

Objectives:

Compaction of powdered materials is typically performed to improve properties such as bulk density, flowability, dispersibility, and stability. Using the knowledge gained through modelling and experiments these properties can be tuned by process to produce high-performance powders. A mesoscale model will be calibrated from the microscale model developed in TUSAIL and will be used for a PBM model, which takes into account all main particle properties, like size and size distribution, form, moisture, strength, rehydration and dissolution. Specific objectives are:

  1. Develop new understanding of reconstitution of compacted powders
  2. Develop advanced meso-particle models of reconstitution of compacted powders calibrated using microscale models developed by other ESRs
  3. Scaling up to inform a macroscopic multi-dimensional PBM modelling considering main particle properties such as size and size distribution, form, moisture, strength and dissolution

 

Results

  1. Literature study and model evaluation
  2. Mesoscale models for different stages of reconstitution, wetting, sinking, disintegration, calibrated and validated
  3. Detailed knowledge about the influence of compacted powder properties on their reconstitution
  4. Selected industrial applications established, e.g. for roller compactions

Project funding and Start Date

September 2021

The Marie Skłodowska-Curie Actions under the Horizon 2020 Innovative Training Networks.

Contact Details

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