A Review Study of Virtual Prototype Modeling of Comminution

Machines Using Sphere-Based Models with Breakage

Jiří Frühbauer
Institute of Automotive and Material handling engineering
Faculty of Mechanical Engineering
Brno University of Technology
E-mail: [email protected]

Abstract
This article presents an overview of DEM models for virtual modeling of miniaturization devices
and their applications in industries. The article also includes a description of the principle of
operation of these used DEM models and shows the obtained results. Furthermore, the article
discusses the differences in the obtained results and the suitability of the given DEM method for
the given resulting parameter of the miniaturizing device.

Key Words: Discrete element method, comminution, bonded particle model, virtual prototype,
particle replacement model, multi-body model

Contents
1. Introduction ......................................................................................................................................... 2
2. Comminution theories and size-energy relationship ....................................................................... 2
3. Discrete element method .................................................................................................................... 4
3.1. Bonded Particle Method (BPM) ................................................................................................ 6
3.2. Particle Replacement Method (PRM) ....................................................................................... 7
4. DEM studies ........................................................................................................................................ 9
4.1. Breakage of single particles ...................................................................................................... 10
4.2. Comminution machines modeling with DEM ........................................................................ 10
5. Conclusion ......................................................................................................................................... 11
1. Introduction
Comminution equipment is a key piece of equipment in a wide range of industries, from mining
and raw material processing to the pharmaceutical and food industries. Effective and reliable
comminution of the material is key to achieving the desired properties of the final product.
However, the design and optimization of comminution devices are often complex tasks, requiring
a detailed understanding of material behavior during the comminution process. In recent years, the
Discrete Element Method (DEM) has become the most widely used to model these processes.
DEM allows to simulate the interactions between individual material particles, thus providing a
detailed view of the behavior of the material during comminution. This method makes it possible
to study various aspects of the comminution process, including energy requirement, product
particle size distribution, and the effect of chamber size and shape on device performance. This
article focuses on an overview of DEM modeling of comminution equipment, including the
principles of comminution, main principles of DEM sphere-based breakage models, industrial
applications, and the benefits DEM brings to optimizing the design and operation of comminution
equipment.

2. Comminution theories and size-energy relationship

The relationship between the comminution energy and the product size obtained for a given feed
size has been a researched extensively over the last century. Walker et al. [1] proposed the
following equation, for a general form of comminution as:

𝑑𝑊 = −𝐾 ⋅ 𝑥 −𝑛 ⋅ 𝑑𝑥

Where W is the net specific energy, x is the characteristic dimension of the product, n is the
exponent and K is a constant related to the material. The general comminution equation states that
the energy required for a differential decrease in size is proportional to the change in size dx and
inversely proportional to the size raised to the exponent n. If the exponent n in general
comminution equation is replaced by the values of 2, 1 and 1.5 and then integrated, the known
equations of Rittinger, Kick and Bond, are obtained respectively. Rittinger [2] stated that the
energy required for size reduction is proportional to the new surface area generated. Since the
specific surface area is inversely proportional to the particle size, Rittinger’s hypothesis can be
written in the following form:

1 1
𝑊𝑅 = 𝐾𝑅 ⋅ ( − )
𝑥𝑝 𝑥𝑓

where WR is the net specific energy, xf and xp are the feed and product size indices, respectively
and KR is a constant. Kick [3] proposed the theory that equivalent relative size reductions require
the same amount of energy. Kick’s equation can be written as:

𝑥𝑓
𝑊𝐾 = 𝐾𝐾 ⋅ 𝑙𝑛 ( )
𝑥𝑝
where WK is the net specific energy, xf and xp are the feed and product size indices, respectively,
and KK is a constant. Bond [4] proposed the ‘Third Law’ of grinding. The Third Law states that
the net energy required in comminution is proportional to the total length of the new cracks formed.
The resulting equation is:

1 1
𝑊𝐵 = 𝐾𝐵 ⋅ ( − )
√𝑥𝑝 √𝑥𝑓

where WB is the net specific energy, xf and xp are the feed and product size indices, respectively,
and KB is a constant. Hukki [5] evaluated these energy-size relationships stating that each of
Rittinger, Kick and Bond theories might be applicable for different narrow size ranges. Kick’s
equation is applicable for crushing, Rittinger’s equation may be used for finer grinding, and Bond’s
equation is applicable in the conventional milling range. Hukki postulated that the exponent n in
the general comminution equation is not constant, it is dependent on the characteristic dimension
of the particle. The Hukki's energy-size equation has the following form:

𝑑𝑊𝐻 = −𝐾 ⋅ 𝑥 −𝑓(𝑥) ⋅ 𝑑𝑥

Fig. 1 shows this curve in a logarithmic coordinate system. It must be noted that the different
former laws that were mentioned (Kick, Bond, Rittinger) may be drawn on the figure by straight
tangents to the Hukki's curve. This means that each of these laws appears as a locale derivative
approximation of the integrated Hukki's law expressed in logarithmic coordinates.

Fig. 1 Comminution size–energy relationships in a logarithmic coordinate system [6]

Morrell has developed a SAG mill test (SMC test) to determine the parameters for the JK Drop
Weight test. To determine the energy of destruction, the Morrell company offers the following
equation [7]:

𝑓(𝑥2 ) 𝑓(𝑥1 )
𝑊𝑀𝑖 = 𝑀𝑖 ⋅ 4 ⋅ (𝑥2 − 𝑥1 )

where WMi is crushing energy in kWh/t, Mi is the work index related to the breakage property of
an ore in kWh/t, x2 is the 80% passing size for the product in μm and x1 is the 80% passing size
for the feed in μm. Particle size function f(xi) is expressed by the following equation [7]:

𝑥𝑖
𝑓(𝑥𝑖 ) = − (0.295 + )
106 𝜇𝑚

3. Discrete element method

The discrete element method (DEM) is a numerical method for computing the motion and
collisions of particles. DEM has become widely accepted as an effective method of addressing
engineering problems in granular and discontinuous materials, therefore it is suitable for
comminution modeling. Discrete element methods are relatively computationally intensive, which
limits either the length of a simulation or the number of particles. DEM solves Newton's equations
of motion to resolve particle motion and uses a contact law to resolve inter-particle contact forces.
Forces are typically integrated explicitly in time to predict the time history response of the material.
The DEM includes many techniques that use radically different treatments for the element
geometry and the form of the contact forces [8].

Fig. 2 Hertz–Mindlin (no-slip) contact model [9]

Translational motion of particle i (Newton’s Equation) can be written as [10]:
𝑛𝑖 𝑛𝑖
𝑑𝑣𝑖
𝑚𝑖 = ∑ (𝐹𝑠𝑛𝑖𝑗 + 𝐹𝑠𝑡𝑖𝑗 + 𝐹𝑑𝑛𝑖𝑗 + 𝐹𝑑𝑡𝑖𝑗 ) + ∑ 𝐹𝑛𝑐𝑖𝑝 + 𝐹𝑓𝑖 + 𝑚𝑖 𝑔
𝑑𝑡
𝑖=1 𝑖=1

Where mi is the mass of particle i, vi is the velocity of particle i, Fsnij and Fdnij are spring and
damping force in normal direction between particle i-j, Fstij and Fdtij are spring and damping force
in tangential direction between particle i-j, Fncik is the non-contact force acting on the particle i due
to another particles or other sources, Ffi is fluid-particle interaction on particle i and mig acts as
gravitational force. Contact lasts as long as tangential force is smaller than maximum friction force
as written in following equation [8]:
𝐹𝑐𝑡𝑖𝑗 < 𝐹𝑐𝑛𝑖𝑗 µ

Where Fctij is resultant tangential force in contact between particle i-j and Fcnij is resultant normal
force in contact with µ acting as coefficient of friction. Rotational motion of particle i (Newton’s
Equation) can be written as [10]:
𝑛𝑖
𝑑𝜔𝑖
𝐼𝑖 = ∑ (𝑇𝑡𝑖𝑗 + 𝑇𝑟𝑖𝑗 )
𝑑𝑡
𝑗=1

Where Ii is the moment of inertia of particle i, ωi is the rotaional velocity of particle i, Ttij is the
tangential torque between particle i-j and Trij is the rolling friction between particle i-j. Elastic
stiffness and damping constants are dependent on normal overlap (δ), equivalent mechanical
properties (equivalent Young modulus Y*, equivalent shear modulus G*, coefficient of restitution
ε), equivalent radius (R*) and equivalent mass (m*) properties of particle i and j as shown in table
1.
Table 1 Elastic stiffness and damping constants for elastic and damping forces for Hertz-Mindlin contact model [11]

Normal direction Tangential direction

Elastic stiffness constant (K) 4 𝐾𝑡 = 8𝐺 ∗ √𝑅 ∗ 𝛿𝑛
𝐾𝑛 = 𝑌 ∗ √𝑅 ∗ 𝛿𝑛
3
Damping coefficient (C)
5 5
𝐷𝑛 = 2√ 𝛽√𝑆𝑛 𝑚∗ 𝐷𝑡 = 2√ 𝛽√𝐾𝑡 𝑚∗
6 6
𝑙𝑛𝜀
𝑆𝑛 = 2𝑌 ∗ √𝑅 ∗ 𝛿𝑛 , 𝛽 = √𝑙𝑛2
𝜀+𝜀 2
 3.1. Bonded Particle Method (BPM)
Potyondy and Cundall [12] have developed a parallel bonding particle model, in which the contact
between two particles consists of linear and bond parts. The linear part only transmits the normal
and tangential forces, and the bonded part can transmit the bending moment based on the linear
part. BPM is widely used in the studies of rock mechanics, particle mechanics, and failure
mechanics. The typical BPM model diagram is shown in Fig. 3 (a), the parameters in bond parts
stated by overlining. The increment of the normal force Fn, tangential force Fs, bending moment
Mn, and torque Ms can be expressed as [13]:
𝛥𝐹̅𝑛 = ̅̅̅
𝑘𝑛 𝐴𝛥𝑑𝑛
̅̅̅𝑠 𝐴𝛥𝑑𝑠
𝛥𝐹̅𝑠 = −𝑘
̅̅̅̅
𝛥𝑀 ̅̅̅
𝑛 = −𝑘𝑛 𝐴𝛥𝜃𝑛

̅̅̅𝑠 𝐴𝛥𝜃𝑠
̅̅̅̅𝑠 = −𝑘
𝛥𝑀
where dn and ds are the displacement in the normal and tangential directions, respectively, θn and
θs are rotation increments in the normal and tangential directions, respectively, A is the area of
contact zone, and kn is the contact normal stiffness and ks is the contact tangential stiffness.

Fig. 3 Parallel Bonding Model Theory: (a) Parallel bonding model (b) Mohr- Coulomb strength curve [13]

The maximum tensile and shear stresses (σmax, τmax) acting on the parallel-bond are calculated
from the following equations [13]:
𝐹̅𝑛 ̅̅̅̅̅̅
𝑀𝑛 𝑅
𝜎̅𝑚𝑎𝑥 = + < 𝜎̅𝑐
𝐴 𝐼
𝐹̅𝑠 𝑀̅̅̅̅̅̅
𝑠𝑅
𝜏̅𝑚𝑎𝑥 = + < 𝜏̅𝑐
𝐴 𝐽
where I and J are the moment of inertia and polar moment of inertia of the parallel bond cross-
section, respectively, and R is the calculated radius [13]:
 1
𝐼 = 𝜋𝑅̅ 4
4
1 4
𝐽= 𝜋𝑅̅
2
𝑅̅ = 𝜆̅𝑚𝑖𝑛(𝑅 (𝐴) , 𝑅 (𝐵) )

where λ is the radius multiplier. In the strength curve of the parallel bond model in Fig. 3 (b), when
the tensile stress on the parallel bond exceeds the maximum tensile strength (σmax > σc), the parallel
bond breaks. When the shear stress of the parallel bond exceeds the maximum shear strength (τmax
> τc), the parallel bond is broken by shear stress. According to the Mohr-Coulomb criterion
equation τ = σ⋅tanϕ + c, the model is dependent on parameters of friction angle ϕ and cohesion c,
that affect the shear strength [13].

3.2. Particle Replacement Method (PRM)

Particle replacement method comprehensively investigates various ways of disintegration of
bodies during particle collisions. In particular, it focuses on a detailed description of the failure
processes of brittle materials, taking into account the variability and size dependence affecting the
probability of failure and susceptibility to microstructure failure due to repeated loading. PRM
after failure also provides the final particle size distribution according to defined constants. Failure
mechanisms are influenced by both material characteristics and the type of loading of individual
particles. Each particle has a defined breaking critical value, which when exceeded immediately
replaces the parent particle with a cluster of smaller particles [14, 15] as seen in Fig. 4. In addition,
a new approach has been developed to control particle replacement, thereby reducing possible
weight loss.

Fig. 4 Replacement of the mother (initial) particle by cluster of smaller particles during breakage [10]

The model consists of mathematical expressions that describe the critical conditions for breaking
a particle, which is immediately replaced by a group of particles with smaller dimensions once
they are considered broken. Each particle in the DEM is assigned a specific failure energy value,
which is the maximum amount of stress energy the particle can withstand before breaking into
fragments. Using a random number generator that forms values from 0 to 1, each particle created
in the DEM simulation is assigned a value from the particle's fracture energy [14, 15].

Fig. 5 Calculation cycle of Particle Damage and Fragmentation [16]

The actual particle fracture energy value that will be assigned to each particle at the start of the
simulation will vary according to the upper truncated lognormal distribution given by [14, 15]:

1 𝑙𝑛 𝐸 ∗ − 𝑙𝑛 𝐸50
𝑃(𝐸) = [1 + 𝑒𝑟𝑓⁡ ( )]
2 √2𝜎𝐸2
𝐸𝑚𝑎𝑥 𝐸𝑓
𝐸∗ =
𝐸𝑚𝑎𝑥 − 𝐸𝑓

Where Ef is the specific fracture energy of the particle corresponding to the maximum stress energy
it can sustain under stress and not fracture, Emax is the upper truncation value of the lognormal
distribution, E50 and σE2 are the median and geometric variance of the distribution. All values may
vary with particle size, but within an order of magnitude of particle size, for simplicity, both σE2
and Emax/E50 can be assumed to remain relatively constant and can be fitted to experimental data
[14, 15]. It is proven that the strength of a brittle material varies with particle size, so as the particle
size decreases, the energy per unit mass required to break a brittle particle increases. This effect is
taken into account in the proposed model in the E50 variation using the expression given by [14,
15]:

𝐸𝑚∞ 𝑑0 𝜙
𝐸𝑚50𝑖 = [1 + ( ) ]
1 + 𝑘𝑝 /𝑘𝑠 𝑑𝑖

Where Em∞, d0 and φ are the model parameters that must be fitted to the experimental data and di
is the representative size of the particles contained in size class i. This expression allows
representing the power-law increase of the median failure energies as the particle size decreases,
as well as the reach of a relatively constant value for larger particles, as is often observed
empirically. The parameters kp and ks are the Hertzian stiffnesses for the particle and the surface
of the device used to measure the failure characteristics. If the energy E ef that a particle can
accommodate under stress is less than the particle's failure energy Ef, then it will not break, but
may suffer internal damage, making it more susceptible to failure under future stress. This
weakening is given by the expression due to which the specific energy of breaking the particle will
be reduced [14, 15]:

𝐸𝑓´ = 𝐸𝑓 (1 − 𝐷)

Where Ef′ is the specific fracture energy of the particle after stress and D is the damage parameter,
which is given by [14, 15]:
2𝛾
2𝛾 𝐸𝑒𝑓 5
𝐷=[ ⁡⁡ ]
(2𝛾 − 5𝐷 + 5 𝐸𝑓

Where γ is the damage parameter constant D. The extent of breakage into smaller fragments can
be characterized by a single parameter t10, which represents the fraction of fragments that are finer
than 1/10 of the original particle size. The extent of particle stress failure is related to the specific
energy Eef and the median particle failure energy Em50b through the expression [14, 15]:
𝐸𝑒𝑓
𝑡10 = 𝐴 [1 − 𝑒𝑥𝑝 (−𝑏 )]
𝐸𝑚50𝑏
Where A and b are the model parameters fitted to the experimental data, in which A corresponds
to the maximum value of t10 that can be reached when the material breaks during stress, b
corresponds to the exponent of the curve for t10, and Em50b is the median specific fracture energy
of the particles that were broken. The total particle distribution is given by the equation of the
incomplete beta function, which is of the form [14, 15]:

𝑡10 /100
100
𝑡𝑛 (𝑡10 ) = 1 ∫ 𝑥 𝛼𝑛−1 (1 − 𝑥)𝛽𝑛−1 𝑑𝑥
∫0 𝑥 𝛼𝑛−1 (1 − 𝑥)𝛽𝑛−1 𝑑𝑥 0
where x is the cumulative mass (tn) of the particles passing through the sieve of the corresponding
size, calculated from the given distribution value. The parameters of the model for chosen values
of tn are t10, αn and βn. Parameters αn and βn differ for every value n of tn [14, 15].

4. DEM studies
In recent years, there have been many studies focused on description of particle breakage and the
application of this knowledge to the creation of DEM models of breakage. Studies dealing with
DEM failure modeling based on these findings can then be divided into two parts. To the part that
describes the behavior of individual particles during breakage and to the part that describes the
behavior of the interaction of a larger number of particles with comminution machines.
 4.1. Breakage of single particles
DEM studies focused on single particle breakage focus on a detailed analysis of the mechanisms
leading to the fragmentation of individual particles when various types of mechanical stress are
applied. These studies make it possible to monitor the behavior of individual particles under
pressure, tension, or shear loads and provide valuable information about the physical and
mechanical properties of materials. These findings are essential for understanding the basic
processes of particle breakage and for creating accurate models for predicting their behavior.
Individual single breakage studies and their conditions are summarized in Table 2 together with
the outputs.

Table 2 Summary of DEM studies for single particles

Reference Breaking mechanism Method Material

Chen, Wang, Xue [17] Uniaxial compression BPM Iron ore
Zhang, Huang [18] Slow compression BPM Quartz
Barrios, Jimenéz-Herrera, Tavares [10] Double impact and slow compression PRM Iron ore
of single particle / particle bed
Barrios, Jimenéz-Herrera, Tavares [19] Double impact of particle bed BPM, PRM Iron ore
Potyondy, Cundall [11] Uniaxial compression BPM Granite
Wu, Deng, Li, Hu, Deng, et. al. [20] Seed metering device BPM Rapeseed
Zhou, Liu, Li [21] Single particle impact in pneumatic BPM Coal
conveyor
Klichowitz, Lieberwirth [22] Slow compression of particle bed BPM Granite
Wessling, Larsson, Jonsén, Kaiberg [23] Brazilian disc test BPM Granite
Wu, Wang, Fan, Guan, et. al. [24] Uniaxial compression BPM Magnetite

4.2. Comminution machines modeling with DEM

In addition to single particle studies, several DEM studies also investigate particle interactions in
larger volumes of material by applying insights from single particle breakage to the brekage of
multiple particles in comminution machines such as crushers and mills, which is key to their
optimization. These studies analyze how the particles behave in joint processing and how they
interact with the mechanical elements of the machines. The results of these analyzes are necessary
for improving the design and operation of commutating machines, which leads to higher efficiency
and reduced energy consumption of processes. The individual studies of comminution machines
are summarized in Table 3 together with the outputs.
Table 3 Summary of DEM studies for comminution machines with particle breakage

Reference Machine type Method Material Obtained results

Quist, Evertsson Cone crusher BPM Rock Product size distribution, Hydrostatic
[25] pressure for mantle, Power draw,
Throughput capacity
Rodriguez, Bueno, HPGR PRM Iron ore Throughput capacity, Compressive force,
Barrios, Tavares Percentage of material passing (45 μm),
[26] Power draw, Specific energy
Barrios, Jimenéz- Jaw crusher PRM Gold ore Power draw, Throughput capacity, Product
Herrera, et. al. [27] size distribution, Compressive force,
Reduction ratio
Dorozsuk, Krol [28] Jaw crusher, PRM Shale, Product size distribution, Reduction ratio,
Hammer crusher Dolomite, Mass inside the crusher
Sandstone,
Mixed ore
Cheng, Ren, Zhang Inertia cone BPM Steel slag Mantle displacement, Power draw, Product
et. al. [29] crusher size distribution
Djordjevic, Shi, Horizontal shaft BPM Rock Specific energy, Product size distribution,
Morrison [30] impact crusher Induced stress

Chen, Wang, Xue, Gyratory crusher BPM Iron ore Throughput capacity, Crushing force,
Cui [31] Power draw, Crushing of bonds
Su, Xu, Cui, Gao, Centrifugal BPM Maize kernel Particle velocity, Kinetic energy,
et. al. [32] breakage tester Compressive force

5. Conclusion
The comprehensive exploration of comminution theories, coupled with advanced computational
techniques such as the Discrete Element Method (DEM), represents a significant leap forward in
the field of particle size reduction. These methodologies offer profound insights into the
fundamental mechanics of comminution, leading to enhanced efficiency and optimization of
various processes and machinery involved.

Firstly, the detailed understanding of comminution theories and the size-energy relationship
provides a robust foundation for predicting and improving the performance of comminution
processes. The classical theories, including Rittinger's, Kick's, and Bond's laws, each contribute
uniquely to our understanding of how energy input translates to particle size reduction. This
knowledge is critical for designing systems that are both energy-efficient and cost-effective.

The Discrete Element Method stands out as a powerful tool for simulating the behavior of
particulate systems. By modeling the interactions between individual particles, DEM offers
detailed insights that are otherwise difficult to obtain through empirical or experimental
approaches. The Bonded Particle Method (BPM) within DEM is particularly effective for
simulating the fracture and breakage of materials, providing valuable data on crack initiation and
propagation. Similarly, the Particle Replacement Method (PRM) simplifies the simulation of
particle fragmentation, making it an invaluable tool for studying the size reduction process and
optimizing comminution machinery.

DEM studies have clarified many aspects of comminution processes. The examination of single
particle breakage enhances understanding of fracture mechanics, while the modeling of
comminution machines with DEM provides a detailed analysis of machine performance. These
insights are crucial for optimizing the design and operation of comminution machinery, leading to
improved energy efficiency, reduced wear, and overall better performance.

In conclusion, the integration of comminution theories with advanced DEM simulations has
brought about a paradigm shift in the study and optimization of particle size reduction. The
application of BPM and PRM within DEM has provided deeper insights into material behavior
and machine dynamics. This integration not only enhances theoretical understanding but also
translates into practical benefits, including more efficient and sustainable comminution practices.
As the field continues to evolve, the ongoing development and refinement of these methodologies
promise to drive further advancements, ultimately leading to more innovative and effective
solutions in particle size reduction.

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