Chapter 2
Theoretical background DEM (EDEM)
The Discrete Element Method (DEM) has been an increasingly recognised numerical tool for modelling granular systems since the original work of Cundall and Strack back in 1979 [1].
In DEM, the particulate material is modelled as an assembly of individual particles, which interact with each other or any other solid body such as the walls or movingblades of mixing equipment. The macroscopic behaviour of the assembly of particles is determined by microscopic interactions amongst particles and between particles and boundaries. The path and velocity of each particle is computed in discrete time steps. This provides a wealth of information such as the frequency of collisions and duration of contacts with neighbours. Movement of particles relative to bulk flow gives a measure of dispersion and is revealing about flow and mixing mechanisms at a scale and level of detail that is very difficult to achieve by experimental means.DEM simulations in this work were performed using a commercial package (EDEM) based on the original algorithm proposed by Cundall and Strack. Commercial codes such as EDEM incorporate a powerful Graphical User Interface (GUI) that interfaces with CAD drawing packages. This and the readily available computational power allow complex mixing systems to be simulated. The reliability of DEM predictions depends entirely on the simplification of the physical models used to describe the microscopic interaction. Simplifications are necessary, and are widely used, to make complex problems solvable in sensible time frames, yet there seems to be little validation work reported in the literature that probes beyond macroscopic flow features. If DEM is to fulfil its promise of becoming as important a design tool as Computational Fluid Dynamics (CFD), there is a need to quantify and validate the ability of DEM simulations to provide an insight into mixing mechanisms in equipment where flow is difficult to observe, let alone measure, on the granular scale.
2.1 Introduction: modelling granular material
Recently, there has been an increased awareness of the important role particle technology plays in many industry sectors. Granular materials are the object of studies in many disciplines, for example geotechnics, materials science, physics and soil mechanics. Granular materials are also produced and used in many manufacturing processes such as chemical, pharmaceutical, food industry and mining. For example, in the transport industry storage of materials can promote jamming of silos or pipes during pneumatic conveying. In soil mechanics problems regarding run-out of avalanche have been of interest. In the pharmaceutical and chemical industry material segregation can occur during mixing.The study of particulate solids can beapproached by treating the bulk solids as continuum or as a conglomerate of discrete particles. Regarding the second approach, a considerable amount of work has been carried out to study the physics of single particle interactions in recent years [2]. The reason why problems regarding granular materials appear to be complicated is that the traditional macroscopic continuum approach, utilized so far, is not completely adequate. In addition, time dependent microscopic mechanisms are not completely understood. In the past studies of micromechanical interactions between particles such as the tensional state within the material or force distribution within an assembly were not possible. Since micro-measurement experimental techniques, mathematical models or simulation capabilities were not available, micromechanical approaches were not extensively carried out. Photo-elastic experiments demonstrated the complexity and the discontinuous nature of granular materials by visualization of the force chain ramification within granular mediaformed by photoelastic sensitive disks as shown in Figure 2.1.a [3]. The two-dimensional disks with different diameters (from 8 to 20 mm) were stacked between two glass plates and loaded. The average stress and strain-rate tensors in the interior of particle assemblies were determined by using the pattern of isochromatics, from which the forces that are transmitted through the contact points between the discs. At the end of the 70s the first numerical micromechanical simulation was presented by Cundall and Strack. This work considered a simple aggregate of disk elements subjected to a biaxial stress. The stress transmission pattern was numerically simulated and compared with the photoelastic experimental results on disk, as shown in Figure 2.1.b.
Figure 2.1: (a) Photo-elasticity picture of the granular assembly of discs: force transmission
pattern [3]. (b) Force transmission pattern numerically simulated by DEM [1].
2.2 Discrete Element Modelling (DEM)
In recent years increasing computer power, development of academic DEM models and the availability of new user-friendly commercial software have led to DEM becoming a popular research tool in industry as well as academia. As a consequence DEM is being used in an increasing range of applications to simulate increasingly complex systems, often for evaluation of machinery prototypes. Compared with early years simulations, models can now consider large numbers of particles or increasing system complexities (dimension of the problem). 2D simulations have also evolved into more sophisticated 3D simulations giving greater capability in the complexity of the system that can be studied. The interest and the effort into DEM research increased dramatically [4]. Figure 2.2 shows the number of publications related to discrete particle simulation between 1993 and 2011, obtained from ScienceDirect website with the following keywords: discrete element method/model, distinct element method/model, discrete particle simulation/method/model, and granular dynamic simulation.
Figure 2.2: Number of publications related to discrete particle simulation between 1993-2011 from ScienceDirect website.
DEM modelling is providing insight intothe mechanisms governing particle flow and it is a powerful tool for optimising a number of industrial processes. In DEM each particle is considered as a discrete element and the bulk mechanical behaviour of the assembly is related to individual particle properties and interactions. Because the output of DEM is the complete trajectory of every particle relative to all other particles and the equipment, such numerical simulations can enhance fundamental understanding of granular motion and can also help in the improvement of design or operation of systems involving particulate material [5]. The value of DEM is demonstrated by the broad variety of applications reported in the literature.
2.2.1 Examples of DEM applications for particle motion
The Discrete Element Method algorithm was originally presented by Cundall and Strack in 1979. Since thenmany other DEM simulations have been published in the literature studying the modelling of diverse granular processes as comminution [6,7,8,9,10,11], granulation [12,13,14], flow through hopper [15,16,17,18], die filling for tabletting [19,20], fracture of agglomerates [21,22,23,24], packing of particles [25,26,27,28,29,30], bulk compression of particles [31,32,33,34,35] and flow in a screw extruder [36,37].
The motion of particles in blenders rotating around a one-fixed axis such as drum, double cone, bead mill and V-mixer has been extensively studied and modelled. For example,Muguruma et al.1997 [38]investigatedthe three dimensional motion of particles in a rotating cylinder and showed how DEM simulations can be used as tool for design improvements in a particular system. The mixing rate was compared in case of different designs and the length/height ratio of the baffles was optimised. Simulations were validated against experimental results by visual comparison of mixing pattern for spheres with two different colours. Kwapinska et al. 2006 [39] used DEM to study transverse mixing of free flowing particles in horizontal rotating drums in terms of mixing time and number of drum rotations necessary to achieve uniform mixing. The authors explored the effect of a range of operating parameters such as drum diameter, rotational frequency and average particle diameter and compared the results with experimental data from literature. Good agreement was found in terms of mixing time and mixing number for the uniform mixing of the solids by comparing
the DEM simulation with mixing experimental data from literature. Sarkara et al. 2009 [40]
showed the effect of operating conditions such as fill level and impeller rotation rate (Froude number) on axial mixing in a horizontal bladed continuous blender. The axial particle movement was shown to be strongly dependent on the operating conditions, with better mixing achieved at low Froude numbers for high fill levels and high Froude number for low fill levels.
The effect of the particle physical properties (density, size or friction) on the mixing behaviour (qualitative visual comparison of profile for the bed cross section) in a 2D rotating drum was shown byXu et al.2010 [41]. For their system, it was observed that for a specific rotational speed, differences in particle density and particle size were the principal factors affecting mixing behaviour whereas friction coefficient had less importance. It was also demonstrated that segregation due to large particle size ratio or density ratiocan be suppressed (percolation effects) by including into the system particles wi
Chapter 2Theoretical background DEM (EDEM)The Discrete Element Method (DEM) has been an increasingly recognised numerical tool for modelling granular systems since the original work of Cundall and Strack back in 1979 [1]. In DEM, the particulate material is modelled as an assembly of individual particles, which interact with each other or any other solid body such as the walls or movingblades of mixing equipment. The macroscopic behaviour of the assembly of particles is determined by microscopic interactions amongst particles and between particles and boundaries. The path and velocity of each particle is computed in discrete time steps. This provides a wealth of information such as the frequency of collisions and duration of contacts with neighbours. Movement of particles relative to bulk flow gives a measure of dispersion and is revealing about flow and mixing mechanisms at a scale and level of detail that is very difficult to achieve by experimental means.DEM simulations in this work were performed using a commercial package (EDEM) based on the original algorithm proposed by Cundall and Strack. Commercial codes such as EDEM incorporate a powerful Graphical User Interface (GUI) that interfaces with CAD drawing packages. This and the readily available computational power allow complex mixing systems to be simulated. The reliability of DEM predictions depends entirely on the simplification of the physical models used to describe the microscopic interaction. Simplifications are necessary, and are widely used, to make complex problems solvable in sensible time frames, yet there seems to be little validation work reported in the literature that probes beyond macroscopic flow features. If DEM is to fulfil its promise of becoming as important a design tool as Computational Fluid Dynamics (CFD), there is a need to quantify and validate the ability of DEM simulations to provide an insight into mixing mechanisms in equipment where flow is difficult to observe, let alone measure, on the granular scale. 2.1 Introduction: modelling granular materialRecently, there has been an increased awareness of the important role particle technology plays in many industry sectors. Granular materials are the object of studies in many disciplines, for example geotechnics, materials science, physics and soil mechanics. Granular materials are also produced and used in many manufacturing processes such as chemical, pharmaceutical, food industry and mining. For example, in the transport industry storage of materials can promote jamming of silos or pipes during pneumatic conveying. In soil mechanics problems regarding run-out of avalanche have been of interest. In the pharmaceutical and chemical industry material segregation can occur during mixing.The study of particulate solids can beapproached by treating the bulk solids as continuum or as a conglomerate of discrete particles. Regarding the second approach, a considerable amount of work has been carried out to study the physics of single particle interactions in recent years [2]. The reason why problems regarding granular materials appear to be complicated is that the traditional macroscopic continuum approach, utilized so far, is not completely adequate. In addition, time dependent microscopic mechanisms are not completely understood. In the past studies of micromechanical interactions between particles such as the tensional state within the material or force distribution within an assembly were not possible. Since micro-measurement experimental techniques, mathematical models or simulation capabilities were not available, micromechanical approaches were not extensively carried out. Photo-elastic experiments demonstrated the complexity and the discontinuous nature of granular materials by visualization of the force chain ramification within granular mediaformed by photoelastic sensitive disks as shown in Figure 2.1.a [3]. The two-dimensional disks with different diameters (from 8 to 20 mm) were stacked between two glass plates and loaded. The average stress and strain-rate tensors in the interior of particle assemblies were determined by using the pattern of isochromatics, from which the forces that are transmitted through the contact points between the discs. At the end of the 70s the first numerical micromechanical simulation was presented by Cundall and Strack. This work considered a simple aggregate of disk elements subjected to a biaxial stress. The stress transmission pattern was numerically simulated and compared with the photoelastic experimental results on disk, as shown in Figure 2.1.b.
Figure 2.1: (a) Photo-elasticity picture of the granular assembly of discs: force transmission
pattern [3]. (b) Force transmission pattern numerically simulated by DEM [1].
2.2 Discrete Element Modelling (DEM)
In recent years increasing computer power, development of academic DEM models and the availability of new user-friendly commercial software have led to DEM becoming a popular research tool in industry as well as academia. As a consequence DEM is being used in an increasing range of applications to simulate increasingly complex systems, often for evaluation of machinery prototypes. Compared with early years simulations, models can now consider large numbers of particles or increasing system complexities (dimension of the problem). 2D simulations have also evolved into more sophisticated 3D simulations giving greater capability in the complexity of the system that can be studied. The interest and the effort into DEM research increased dramatically [4]. Figure 2.2 shows the number of publications related to discrete particle simulation between 1993 and 2011, obtained from ScienceDirect website with the following keywords: discrete element method/model, distinct element method/model, discrete particle simulation/method/model, and granular dynamic simulation.
Figure 2.2: Number of publications related to discrete particle simulation between 1993-2011 from ScienceDirect website.
DEM modelling is providing insight intothe mechanisms governing particle flow and it is a powerful tool for optimising a number of industrial processes. In DEM each particle is considered as a discrete element and the bulk mechanical behaviour of the assembly is related to individual particle properties and interactions. Because the output of DEM is the complete trajectory of every particle relative to all other particles and the equipment, such numerical simulations can enhance fundamental understanding of granular motion and can also help in the improvement of design or operation of systems involving particulate material [5]. The value of DEM is demonstrated by the broad variety of applications reported in the literature.
2.2.1 Examples of DEM applications for particle motion
The Discrete Element Method algorithm was originally presented by Cundall and Strack in 1979. Since thenmany other DEM simulations have been published in the literature studying the modelling of diverse granular processes as comminution [6,7,8,9,10,11], granulation [12,13,14], flow through hopper [15,16,17,18], die filling for tabletting [19,20], fracture of agglomerates [21,22,23,24], packing of particles [25,26,27,28,29,30], bulk compression of particles [31,32,33,34,35] and flow in a screw extruder [36,37].
The motion of particles in blenders rotating around a one-fixed axis such as drum, double cone, bead mill and V-mixer has been extensively studied and modelled. For example,Muguruma et al.1997 [38]investigatedthe three dimensional motion of particles in a rotating cylinder and showed how DEM simulations can be used as tool for design improvements in a particular system. The mixing rate was compared in case of different designs and the length/height ratio of the baffles was optimised. Simulations were validated against experimental results by visual comparison of mixing pattern for spheres with two different colours. Kwapinska et al. 2006 [39] used DEM to study transverse mixing of free flowing particles in horizontal rotating drums in terms of mixing time and number of drum rotations necessary to achieve uniform mixing. The authors explored the effect of a range of operating parameters such as drum diameter, rotational frequency and average particle diameter and compared the results with experimental data from literature. Good agreement was found in terms of mixing time and mixing number for the uniform mixing of the solids by comparing
the DEM simulation with mixing experimental data from literature. Sarkara et al. 2009 [40]
showed the effect of operating conditions such as fill level and impeller rotation rate (Froude number) on axial mixing in a horizontal bladed continuous blender. The axial particle movement was shown to be strongly dependent on the operating conditions, with better mixing achieved at low Froude numbers for high fill levels and high Froude number for low fill levels.
The effect of the particle physical properties (density, size or friction) on the mixing behaviour (qualitative visual comparison of profile for the bed cross section) in a 2D rotating drum was shown byXu et al.2010 [41]. For their system, it was observed that for a specific rotational speed, differences in particle density and particle size were the principal factors affecting mixing behaviour whereas friction coefficient had less importance. It was also demonstrated that segregation due to large particle size ratio or density ratiocan be suppressed (percolation effects) by including into the system particles wi
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