Article Draft Elsarticle - 5 LM2
Article Draft Elsarticle - 5 LM2
Article Draft Elsarticle - 5 LM2
• Modelling of solid, gas, and liquid phases in the Wurster fluidized bed coat-
ing process.
Abstract
In this study, we assess predictive modelling in Wurster fluidised bed coaters us-
ing Computational Fluid Dynamics-Discrete Element Method (CFD-DEM) with
a coarse-graining technique. We conducted simulations of the full three-phase
system for the original and three coarse-grained systems, analysing velocity dis-
tributions, macroscopic solid stresses, coating uniformity, and phase temperatures.
By aggregating 8, 27, and 64 original particles, we reduced the particle count from
5.1 million to 80,000, achieving a logarithmic increase in simulation speed while
maintaining fidelity to the original CFD-DEM system. Our findings indicate that
coarser grains, representing up to 64 original particles, provide a practical sim-
plification for CFD-DEM simulations in Wurster coaters, thereby broadening its
applicability to larger systems currently limited by computational capabilities.
Keywords: CFD-DEM, Three-phase system, Particle scaling, Coarse-graining,
Wurster fluidized bed coater, spray coating
PACS: 0000, 1111
2000 MSC: 0000, 1111
2
1. Introduction
Figure 1: Schematic outlining the characteristic regions in the Wurster coater system: 1) the bed
region, 2) tube region, and 3) drying region.
of this technology, design, optimisation, and risk mitigation are crucial, address-
3
ing challenges like film degradation and particle agglomeration [6]. Advanced
monitoring methods in laboratory-scale Wurster coaters have been used to study
process variables and geometric effects [2, 7, 8]. However, challenges in particle
enumeration and spatial resolution, along with the elevated costs and complexity
for equivalent industrial-scale data accuracy, limit their use [9, 10].
4
(strong agitation), leads to erratic motion predominantly governed by collisional
stresses. However, the extent of frictional interactions in this regime is depen-
dent on solid concentration: in a dilute inertial regime, collisional rapid flow ex-
hibits gas-like characteristics, whereas, in a dense inertial regime, it transitions to
a liquid-like flow where frictional contacts are influential [22–24].
Progress in developing and validating scaling techniques for Wurster coater sys-
tems remains constrained, with only a few foundational studies in which direct
force scaling has been used [36–38]. This paper sets itself apart from earlier stud-
5
ies in two critical respects: firstly, whereas previous studies primarily employed
scaling for computational efficiency, this research presents a comparative exami-
nation of both the unscaled and scaled systems; secondly, in contrast to the earlier
studies with focus on direct force scaling, this study delves into the application of
parameter scaling.
2. Methodology
∂
αρ + ∇ · αρv = 0 (1)
∂t
∂
αρv + ∇ · αρvv = −α∇p + ∇ · ατ + αρg + Sm (2)
∂t
In the equations, α, ρ, v, and Sm denote the voidage, density, velocity, and in-
terphase momentum exchange of the gas, respectively. The shear stress tensor is
defined by τ = µ′ (∇v + ∇vT − 23 ∇ · vI), where I is the identity matrix and µ′ is
the effective viscosity, determined from the realisable k-ε turbulence model. The
realisable version extends the standard model by introducing corrections to mit-
igate its tendency to overestimate turbulent viscosity and excessive dissipation,
culminating in improved jet spreading [39].
The presence of humidity in the gas phase necessitates concurrently solving the
energy conservation equation for the gas with an additional mass conservation
6
equation for water vapour:
∂
αρc p T + ∇ · αρvc p T = ∇ · (αλ∇T + ρD′v ∇Yv Hv ) + S h (3)
∂t
∂
αρYv + ∇ · αρvYv = ∇ · αρD′v ∇Yv + S v (4)
∂t
where c p , T, λ, D′v , Yv , and Hv represent the specific heat capacity, gas temper-
ature, thermal conductivity, effective mass diffusivity, vapour mass fraction, and
the water vapour enthalpy, respectively. The source term, S h , denotes the trans-
fer of convective heat from the particles to the gas, while S v represents the mass
flux of vapour from wet particles undergoing evaporation. For a detailed mesh
sensitivity analysis, refer to Appendix A.
The fluids conservation equations 1-3 are coupled with the solid phase in each
computational cell Vc , by the presence of P particles via voidage and source terms
Sm , S h , S v . Voidage is computed via the particle centroid method (PCM), as
αc = 1− i=1 Vi /Vc , based on particles with their centroids located in the cell. Nev-
PP
7
F f,i exerted on each particle, as follows:
P P
1 X 1 X 1
Sm = − F f,i = Vi ∇p − ρA′i Cd (v − ui )|v − ui | (5)
Vc i=1 Vc i=1 2
In the equation, Vi , A′i , and ui denote the volume, projected area, and velocity of
the ith particle, respectively. The Gidaspow drag model is chosen to calculate the
drag coefficient Cd = f (α, Rei ) as justified by the comparative analysis by Li et
al. [15], which examined different drag models within the Wurster coater system.
The second source term, S h , found in Equation 3, encapsulates the convective
inter-phase heat exchange between the solids and the gas, expressed as:
P P
1 X 1 X
Sh = − Q f,i = hAi (T i − T ) (6)
Vc i=1 Vc i=1
In this formulation, Q f,i denotes the convective heat flux from the ith particle,
with Ai and T i serving as the surface area and temperature, respectively, of the
particle’s surface, while h represents the convective heat transfer coefficient. The
third source term, S v , is the sum of water evaporated from the set of particles
present within the computational cell, evaluated as:
P P
1 X hc Ai Mv ϕpv pv,i
" #
1 X
Sv = ṁv,i = − (7)
Vc i=1 Vc i=1 Ra T Ti
In the provided expression, ṁv,i signifies the rate of evaporation from the ith parti-
cle. Meanwhile, hc , Mv , Ra , and ϕ stand for the mass transfer coefficient, vapour
molar mass, gas constant, and localized relative humidity, respectively. In Equa-
tion 7, the vapour concentration difference at the particle surface relative to the
bulk phase is evaluated using an ideal gas law. Furthermore, saturation at the par-
ticle surface is assumed, enabling the estimation of its partial pressure pv using an
Antoine equation. The heat and mass transfer coefficients in Equations 6 and 7 are
8
determined using the Sherwood and Nusselt numbers, defined as S h = hc di /Dv
and Nu = hdi /λ respectively, through Gunn’s correlation in packed and fluidized
beds [43].
In the Lagrangian framework, the translational and angular velocities of the ith
particle, denoted as ui and ωi and possessing a mass mi and moment of inertia Ii ,
are ascertained through the following governing equations:
J
dui X
mi = mi g + F f,i + (Fn,i j + Ft,i j ) (8)
dt j=1
J
dωi X
Ii = Ri n̂i j × Ft,i j (9)
dt j=1
where Fn,i j and Ft,i j denote the normal and tangential contact forces, respectively,
emerging from interactions with J other particles or boundaries, conforming to
a soft-sphere formulation, indicated by the overlap, which for two identical par-
ticles, occurs when δn = di − (xi − x j ) · n̂i j > 0, with the normal unit vector
n̂i j = (xi − x j )/|xi − x j | [16]. As seen from equation 9, the rotational motion is
produced by collisions, as the torques generated are proportionally related to the
tangential contact force. The normal force is defined per Hertz theory, augmented
by Tsuji et al.’s viscous modifications while for the tangential component, the
Mindlin-Deresiewicz model is applied, as detailed below [44–46]:
9
√
In equation 10, the stiffness and damping coefficients are defined as kn = 43 E ′ R′ δn
√
and ηn = γn 5m′ kn , respectively with γn being the damping ratio empirically as-
certained using Schwager and Pöschel’s method [47]. The variables vn and vt , are
the normal and tangential components of the relative contact velocity and t̂ i j the
tangential unit vector aligned with the latter. The tangential component, given by
equation 11, describes both elastic and frictional attributes through sticking and
sliding, conditioned by a maximum tangential deformation related to the normal
overlap, as described by δt,max = (0.5−νi )/(1−νi )µ s δn with µ s denoting the friction
coefficient. A specified factor, ξ = 1 − min(|δt |, δt,max )/δt,max , triggers sliding when
δt > δt,max and causes the tangential force component, given by Equation 11, to
p
conform to Coulomb’s law. The term γt = ln ε/ ln2 ε + π2 acts as the tangential
damping ratio, akin to γn .
The thermal energy balance for solids, as expressed in Equation 12, is predicated
on the assumptions of a small Biot number and large Péclet numbers, rendering
internal gradients and conductive heat transfer through contacts negligible [48].
dT i
mi c p,i = Q f,i + ṁv,i H f g,i (12)
dt
in the equation, c p,i denotes the specific heat capacity of the solids, and H f g,i the
latent heat of evaporation at the particle temperature. For the liquid injections, a
static spray zone is established above the nozzle with liquid spray being continu-
ously administered at each time step through particle enumeration and uniformly
distributing the liquid, ensuring an even allocation of liquid volume to each parti-
cle [37, 49].
10
2.4. Coarse-graining technique
m′ an = kn δn + ηn vn (13)
In this equation, an represents the relative acceleration arising from the rela-
tive displacement during particle contact. For the formulation of dimensionless
groups, we introduce the following set of dimensionless variables for mass, ac-
celeration, overlap, and displacement velocity: m̂ = m′ /(ρi R′3 ), â = an R′ /(E ′ /ρi ),
δ̂ = δn /R′ , and v̂ = vn / E ′ /ρi . Given that the scaling of relative displacement
p
11
ηn
! !
kn
m̂â = ′ ′ δ̂ + ′2 √ ′ v̂ (14)
RE R ρE
| {z } | {z i }
Π2 Π3
The dimensionless groups, Π2 and Π3 , represent the scaling laws which, per the
dynamic similarity principles, are required to remain invariant. By maintaining
constant values for particle density and Young’s modulus, Equation 14 delineates
the precise interrelation between the original and scaled systems in terms of these
dimensionless parameters.
kn,cg kn,o ηn,cg ηn,o
= , = 2 (15)
Rcg Ro R2cg Ro
If the coefficient of restitution is held constant, the energy dissipated in binary
collisions within the scaled system is consistent with ψ3 collisions in the original
particle system. Furthermore, due to the size-independent packing of spheres, the
voidage remains invariant under scaling [28].
As per the definitions of the stiffness and damping coefficients, we observe: kn,cg ∝
ψkn,o and ηn,cg ∝ ψ2 ηn,o . Hence, Π2 and Π3 remain unaffected by the scaling. Al-
though, the relative scaling of the normal force will adhere to Fn,cg /Fn,o ∝ ψ2 , and
an examination of the tangential component reveals analogous scaling behaviour,
provided that the solids friction coefficient, µ s , remains constant. Equation 15 is
in agreement with Chialvo et al.’s findings [50], indicating invariant stresses in
very dense regimes, exemplified by p ∝ kn /Ri . This is substantiated by analysing
the particle stress tensor, as outlined in Equation 16, which is independent of ψ
and thus unaffected by the scaling approach [33, 34].
1 X
σi = − mi (ui − ū) ⊗ (ui − ū) + Fc,i j ⊗ lc,i j (16)
Vi j
12
In Equation 16, ū is the local mean velocity of the particles, while lc,i j represents
the branch vector situated between the centres of mass of the colliding particles.
With scaling laws established, including constants ρi , E ′ , ε, and µ s , the focus shifts
to the remaining terms in Equations 8 and 12. According to similarity principles,
Fi ∝ ψ3 and Qi ∝ ψ3 are requisite. Given Vi ∝ ψ3 and Ai ∝ ψ2 , adjustments are
necessary only in the drag force, convective, and evaporative heat transfer terms.
The involved coefficients Cd , h, and hc are determined via empirical correlations,
which are theoretically unfounded in scaled analogies. This issue is addressed by
employing the original particle radius in these computations, ensuring consistency
in Reynolds, Nusselt, and Sherwood numbers under similar conditions. Conse-
quently, a ψ factor results in similarity in each of these terms. Furthermore, the
DEM time step, defined as 20% of the Rayleigh time, increases linearly: ∆ti ∝ Ri ,
thereby enhancing stability and permitting larger steps.
13
tive friction coefficient µ′s = |τ s |/p s , which quantifies the macroscopic solid shear
stress [24]. The quasi-static flow regime is characterised by its stress-rate indepen-
dence, as indicated by a constant µ′s , which has been identified at I ≲ 10−3 − 10−2 .
With an increased rate and inertia becoming influential, a rate-dependent pattern
emerges, seen by a monotonic increase in µ′s with I, defining the dense inertial
flow regime. The transition into collisional flow, consistent with kinetic theory
postulations, is observed at I ≳ 10−1 − 100 , where µ′s exhibits a plateau [14, 50].
Further details on deriving macroscopic granular continuum-equivalent properties
from discrete particle data are presented in Appendix C.
14
2.6. Simulation setups
are provided in [2], and simulation-specific parameters are found in the subse-
quent paper [3], by Li et al., where they employed CFD-DEM to yield results
comparable to the experiment, using the MultiFlow solver [3, 15]. Furthermore,
Böhlinger et al. corroborated their CFD-DEM framework using the XPS/AVL-
15
Fire solver [9], offering dual reference points for a comparative assessment of our
CFD-DEM framework with the current solver. Consequently, we will juxtapose
our simulated outcomes with both the experimental data reported in [2] and the
simulated results of the aforementioned CFD-DEM studies [3, 9, 15].
Contrary to the Geldart D categorized particles used for validation, these particles
fall under the Geldart type B category, necessitating corresponding adjustments
in the airflow. To minimize excessive particle collisions at the outlet boundary,
the velocity of the atomizing gas is reduced by 5 m/s, and the fluidizing gas flow
is adjusted per Ergun’s equation to preserve a consistent pressure drop across the
bed. The updated gas-phase inlet conditions, including air humidity, are presented
in Table 2, alongside the modelling parameters for the spray zone and the desig-
nated coarse-graining sequence. Heat losses to the environment, due to an am-
bient temperature of 20 ◦ C, are quantified with a wall heat transfer coefficient
16
Table 2: Simulation parameters and their change during coarse-graining, CFD boundary condi-
tions, and spray zone modelling parameters.
of 30 W/(m2 K), following the approach outlined in [51] for a Glatt GPCG-2 6′′
Wurster coater geometry. The specific heat capacity of the particles is taken as
200 J/(kg K), as reported for MCC pellets in [5].
17
3. Results and discussion
2
Simulation (MultiFlow), [3]
1.5 Simulation (XPS/AVL-Fire), [9]
Simulation (current work)
1
0.5
0
-0.5
-1
-1.5
-2
0 10 20 30 40 50 60 70 80
Radial distance from center (mm)
Figure 2: Vertical particle velocity profile, 90 mm above the distributor plate, including the exper-
imental values from PEPT, simulated results in the current study, and the two reference papers.
Figure 3 presents the average particle RTs per cycle in each region. The RTs
within the tube, as simulated in the two referenced papers, are underestimated,
whereas the current study overestimates them, albeit with the smallest absolute
error. In the bed region, our simulated RTs closely align with the experimental
data, avoiding the underestimation evident in the other simulations.
Figure 4 shows the CTDs derived from recorded particle cycles shorter than 25 s.
A consistent trend across the simulations is evident, where cycles shorter than 5 s
18
2 7
Experiment PEPT, [2]
6.5
0.75 4
3.5
0.5
3
0.25 2.5
0 2
Drying region Tube region Bed region
Figure 3: Residence times, per cycle, within the distinct zones of the Wurster coater from the
PEPT experiment [2] and simulations from current and reference papers [3, 9].
are overestimated, while longer cycles are underestimated. In our study, the RTs
16
Experiment PEPT, [2]
Percentage of cycles (%)
0
0 4 8 12 16 20 24
Cycle time (s)
Figure 4: Particle CT distribution, confined to cycles shorter than 25 s, derived from experiment
[2], simulation outcomes of the current study, and reference papers [3, 9].
19
of stable CTDs in simulations exceeding 25 s. In contrast, this was not observed
in our simulations, where the CTD showed a continual drive towards longer cycle
times from t = 25 s to t = 30 s. Nevertheless, the results obtained with our CFD-
DEM framework already show strong concordance with the experimental values,
thus eliminating the necessity for extended simulations or further analysis.
20
3.2. Coarse-graining with Heat and Mass Transfer Integration
1.8 =1 1.2 =1 7 =1
Velocity distribution (s/m)
=2 =2 =2
1.5 1 =3
=3 =3 5.6
=4 =4 =4
1.2 0.8
4.2
Velocity distribution (s/m)
7
0.9 0.6 5.6
4.2
2.8
0.6 0.4 2.8
1.4
0 0 0
0 0.5 1 1.5 2 2.5 3 0 0.5 1 1.5 2 2.5 3 0 0.5 1 1.5 2 2.5 3
Particle velocity (m/s) Particle velocity (m/s) Particle velocity (m/s)
Figure 5: Probability distributions of particle velocities in the tube (a), drying (b), and bed (c)
regions in the original particle system (ψ = 1) and the coarse-grained systems (ψ = 2, 3, 4).
21
The time-volume averaged inertial number and the corresponding effective fric-
tion coefficients in each distinct region are depicted in Figure 6. The bed region
conforms to a dense inertial regime, as characterised by the inertial number. This
is corroborated by the mean relative magnitude of collisional to frictional stress,
approximately 0.65 in the original system, which progressively decreases to ap-
proximately 0.57 with the coarsest grains. Conversely, within the tube and drying
regions, the frictional component of the solid stresses becomes negligible, indi-
cating a collisional flow regime. This is further supported by the inertial numbers
observed in these regions and the saturation in µ′s , attributable to the large shear
stress relative to the confining pressure. As ψ increases, this saturation in µ′s takes
place at lower values, concurrently exhibiting increased variability in the inertial
number. Figure 7 presents the radial profiles of the solids volume fraction in a
1.6 A =1
Effective friction coefficient
A =2
1.4 A =3
A =4
1.2
0.8
Bed region Tube region Drying region
0.6
0.4
0.2
Figure 6: The time-volume averaged values of effective friction coefficients and inertial numbers,
in each region for the original (ψ = 1) and scaled systems (ψ = 2, 3, 4), including error bars.
cross-section situated 15 mm above the distributor plate. Near the interior tube
22
wall, the original particle system exhibits increased solid concentrations, leading
to elevated local pressure (flow resistance), which in turn results in steeper gradi-
ents, particularly in terms of radial pressure and velocity. Despite the jet flow, the
velocity profile remains largely unaltered, but an increment in air mass flow to-
wards the centre is observed. This is attributed to the fluidizing gas moving closer
to the jet, bringing particles from the bed region with it. However, in comparison
45
Wurster tube
40
=1
Solids volume fraction (%)
=2
35
=3
30 =4
25
20
15
10
5
0
0 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60
Radial distance from center (mm)
to the coarse-grained systems, there is a slight reduction in the mass flow through
the tube due to axial gas flow along the tube walls. While these differences are mi-
nor and local, they are discernible in the solid concentration on the tube’s exterior,
where this axial flow causes more rigorous fluidization. This becomes notable in
the coarsest system, where the solids start to concentrate radially outward in the
bed, as a consequence of this.
23
3.3. Thermal and Mass Transfer Dynamics
To ascertain the accuracy of integrating heat and mass transfer phenomena in the
coarse-grained system, a dynamic two-stage analysis was conducted. This in-
volved 20-second simulations comparing the system with the highest degree of
coarse-graining (ψ = 4) against the original system (ψ = 1). Initiating the simula-
tions from a packed bed configuration with a uniform particle temperature of 0 ◦ C,
the first stage, lasting 10 seconds, involve convective heating of particles with the
hot fluidizing air. The subsequent stage defines a spray cooling phase, where pure
water is injected at a constant rate.
The regionally averaged gas and solid phase temperature profiles over 20 s, en-
compassing the convective and spray cooling stages consecutively, are depicted
in Figure 8. The temperatures closely align, with the original particle system re-
maining marginally warmer. The most pronounced difference is observed during
42 42 42
Average temperature (°C)
36 36 36
30 30 30
24 24 24
Figure 8: Transient profiles of the gas and solid phases’ mean temperatures in each region over 20
s for the original particle system (ψ = 1) and the systems with the coarsest grains (ψ = 4).
the bed’s heating-up stage, wherein the gas temperatures of the system diverge by
2.6 ◦ C after ten seconds. In this initial stage, a gradual convergence over time is
24
noted, yet it does not reach a plateau before the onset of the second stage, indicat-
ing a trend towards converging steady-state temperatures. The temperature differ-
ences in the system illustrate effective phase mixing, despite the coarse-grained
system’s delayed stabilization in the tube. This delay correlates with the dispari-
ties noted in the bed regions, attributable to the more humid air traversing the tube
in the coarse-grained system. In the ensuing spray cooling stage, the difference
between the systems quickly diminishes, culminating in near-identical conditions
after 20 s, with a maximum temperature variation below 0.5 ◦ C.
Following the spray cooling phase, the moisture distribution across particles in-
trinsically governs the effectiveness of the coating. Consequently, Figure 9 de-
picts the distribution functions of the particle coating concentration in each region.
Each region in both systems exhibits a log-normal coating distribution, consistent
with experimental observations [52].
0.4 0.6 0.8
=1 =1 =1
Coating distribution (kg/g)
=4 =4 =4
0.3 0.6
0.4
0.2 0.4
0.2
0.1 0.2
0 0 0
0 5 10 15 20 25 0 5 10 15 20 25 0 5 10 15 20 25
Moisture content (g/kg) Moisture content (g/kg) Moisture content (g/kg)
Figure 9: Moisture probability distribution function in each region after 20 s for the original
particle system (ψ = 1) and the systems with the coarsest grains (ψ = 4). Values are presented per
solid, measured in grams of liquid per kilogram of solid.
25
3.3.1. Computational efficacy
For the simulations of the original CFD-DEM system (ψ = 1), one second of the
simulation was generated for every 12 hours of real-time processing. In contrast,
the corresponding coarse-grained system with ψ = 4, achieved a ten-fold increase,
rendering 10 s of simulation in the same period, thereby exhibiting a logarithmic
reduction in simulation time.
4. Conclusions
Simulations of the Wurster coating process were executed in the original CFD-
DEM formulation and with an integrated coarse-graining technique, wherein up
to 64 original particles were represented by larger grains, effectively reducing
the particle count from 5.1 million to 79 thousand. While culminating in a log-
arithmic increase in simulation speed, results closely congruent with those from
the original CFD-DEM simulation were achieved. Initial experimental validation
corroborated high accuracy in particle velocities, RT, and CT distributions.
26
highlights its capability to overcome CFD-DEM limitations while retaining reso-
lution, paving the way for industrial-scale Wurster coater system simulations.
27
Appendix A. Mesh Analysis
(a) 15 mm above the distributor plate. (b) 165 mm above the distributor plate.
Figure A.10: Radial gas velocity profiles, at steady-state, 15 and 165 mm above the distributor
plate, at four levels of mesh refinements.
28
lated based on the difference in the solid fraction between the neighbouring cells,
and the iteration continues until the specified maximum solid volume fraction or
the maximum number of iterations is reached. An explicit form of Fick’s second
law of diffusion is obtained by assuming a homogeneous allocation of the com-
putational cells. Then, the discretized diffusion equation that computes the new
concentration αc after diffusion from an initial concentration αc0 , provided by the
PCM, to N neighbouring cells can be expressed as follows:
ΩX
αc = αc0 + (αn − αc,0 ) (B.1)
Vc n∈N
The constant Ω is proportional to the diffusion constant and determines the itera-
tion rate of the solid volume fraction. A larger of Ω leads to faster iteration, but
can compromise stability. In a non-uniform Eulerian grid, the value of Ω only
needs to be the same within the sets of cells that exchange solid volume fractions.
Thus, an optimal value of Ω is determined per cell as Ω = Vc /2N, which if sub-
stituted into B.1 gives equation B.2 below, that represents the maximum rate at
which the cell can undergo a stable exchange.
1 X
αc = αc0 + (αn − αc0 ) (B.2)
2N n∈N
Therefore, for any set of exchanging cells, if a neighbouring cell has a lower
value of Ωn , this value must be adopted for summation over all these cells, thus
restricting the overall diffusion rate for that set. By implementing this knowledge,
equation B.1 can be expressed as follows:
1 X h i
αc = αc0 + min Ωn , Ω (αn − αc0 ) (B.3)
Vc n∈N
The presented equation is applied to every cell within the Eulerian domain and
solved iteratively to obtain the updated value of αc in each cell during the map-
29
ping process of solid volume fraction between the Lagrangian and Eulerian frame-
works. Additionally, the diffusion of solid volume fraction is employed to facil-
itate the mapping of energy and momentum exchange, with additional weighting
based on the fluid volume present in the current cell at a specific time [40, 42].
The application of the method to other quantities is analogous. For smoothing of
a given force component Fc0 , the new force is obtained by:
1 X h i Fn Fc0
F c = F c0 + min ρn Ωn , ρΩ − (B.4)
Vc n∈N ρn ρ
seen from Equation B.4, the force components are weighted by the specific mass
of gas occupying the cells. Conversely, for heat transfer:
1 X h i Q n Q c0
Q c = Q c0 + min ρn c p,n Ωn , ρc p Ω − (B.5)
Vc n∈N ρn c p,n ρc p
is derived from the isotropic part of this tensor as p s = tr(σ s )/3. The magnitude
of shear stresses, |τ s |, is obtained from the second invariant of the deviatoric part
of σ s , and their ratio defines the effective or bulk friction coefficient µ′s = |τ s |/p s .
The shear strain rate magnitude, γ̇ s , is determined from the deviatoric part of the
s , as γ̇ s = 2||D s ||.
macroscopic granular strain rate tensor, Ddev dev
30
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