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Abstract
A number of research studies have employed a wide variety of mesh styles and levels of grid convergence to assess velocity fields and
particle deposition patterns in models of branching biological systems. Generating structured meshes based on hexahedral elements requires
significant time and effort; however, these meshes are often associated with high quality solutions. Unstructured meshes that employ tetrahedral
elements can be constructed much faster but may increase levels of numerical diffusion, especially in tubular flow systems with a primary
flow direction. The objective of this study is to better establish the effects of mesh generation techniques and grid convergence on velocity
fields and particle deposition patterns in bifurcating respiratory models. In order to achieve this objective, four widely used mesh styles
including structured hexahedral, unstructured tetrahedral, flow adaptive tetrahedral, and hybrid grids have been considered for two respiratory
airway configurations. Initial particle conditions tested are based on the inlet velocity profile or the local inlet mass flow rate. Accuracy of
the simulations has been assessed by comparisons to experimental in vitro data available in the literature for the steady-state velocity field in
a single bifurcation model as well as the local particle deposition fraction in a double bifurcation model. Quantitative grid convergence was
assessed based on a grid convergence index (GCI), which accounts for the degree of grid refinement. The hexahedral mesh was observed to
have GCI values that were an order of magnitude below the unstructured tetrahedral mesh values for all resolutions considered. Moreover, the
hexahedral mesh style provided GCI values of approximately 1% and reduced run times by a factor of 3. Based on comparisons to empirical
data, it was shown that inlet particle seedings should be consistent with the local inlet mass flow rate. Furthermore, the mesh style was found
to have an observable effect on cumulative particle depositions with the hexahedral solution most closely matching empirical results. Future
studies are needed to assess other mesh generation options including various forms of the hybrid configuration and unstructured hexahedral
meshes.
2006 IPEM. Published by Elsevier Ltd. All rights reserved.
Keywords: Respiratory particle dynamics; Grid convergence index; Respiratory dosimetry; Bifurcation models; Lagrangian particle tracking
1. Introduction
Accurate assessment of the dose received from respiratory
aerosols is critical in a number of applications including toxicology analysis of pollutant exposures and pharmacology
analysis of inhaled medications [15]. To assess respiratory
aerosol dynamics within sub-regions of the lung, a number
of researchers have employed computational fluid dynamics
(CFD) analysis. Numerical simulations provide a powerful
technique to assess the effects of geometric form and mod
Corresponding author. Tel.: +1 804 827 7023; fax: +1 804 827 7030.
E-mail address: pwlongest@vcu.edu (P.W. Longest).
1350-4533/$ see front matter 2006 IPEM. Published by Elsevier Ltd. All rights reserved.
doi:10.1016/j.medengphy.2006.05.012
351
352
Table 1
Geometry parameters for the single bifurcation (SB) model
Bifurcation
First
D1 = 3.81
D2 = 2.70
Rb1 = 7D2
Rc1 = 0
= 35
Re1 = 518
Re2 = 367
2. Methods
2.1. Bifurcation models and boundary conditions
Geometric surface models of single and double bifurcations of the respiratory tract have been considered to evaluate
the effects of mesh style and grid convergence on velocity fields and particle deposition locations. The first model
is an idealized single bifurcation (SB) geometry as used in
the velocity field measurement studies of Zhao and Lieber
[55] (Fig. 1a). This model was selected due to the availability of a quantitative geometric characterization as well as
detailed reports of the velocity field under various conditions
[5557]. Consistent with the experimental model of Zhao
and Lieber [55], characteristics of the geometry are outlined
in Table 1. This model includes a sharp carinal ridge formed
by the intersection of the two daughter branches as well as a
constant cross-sectional area in the region of the bifurcation,
i.e., 2D22 /D12 = 1. The intent of this model is to capture key
geometric parameters of the respiratory airways in a manner
that can be quantitatively defined and modified. However, the
Fig. 1. Geometric surface models of the branching respiratory airways. (a) An idealized single bifurcation model used by Zhao and Lieber [55] for velocity
field measurements and (b) the physiologically realistic bifurcation (PRB) model proposed by Heistracher and Hofmann [58] and used in the particle deposition
study of Oldham et al. [44].
First
Second
D1 = 0.56
D2 = 0.45
L1 = 1.1
L2 = 0.92
Rb1 = 2.5D2
Rc1 = 0.2D2
1 = 35
Re1 = 1788
Re2 = 1113
D2 = 0.45
D3 = 0.36
L3 = 0.77
Rb2 = 2.5D3
Rc2 = 0.2D3
2 = 35
Re3 = 695
353
354
Fig. 2. Four characteristic meshing styles of the PRB geometry including the (a) hexahedral or six-sided element structured multiblock mesh, (b) tetrahedral
or four-sided element unstructured mesh, (c) flow adaptive tetrahedral mesh to better resolve gradients in the flow field, and (d) hybrid mesh consisting of
tetrahedral elements throughout the interior surrounded by a layer of pyramid or five-sided elements on the surface.
(1)
and momentum
u
1
+ (
u )
u = (p + )
t
(2a)
where u
is the velocity vector, p the pressure and is the fluid
density. The shear stress tensor is given by
= [ u
+ ( u
)T ]
(2b)
355
(3a)
and
dxi
= vi (t)
dt
subject to
(3b)
xi (t0 ) = xi,0
(3c)
(5a)
[71]
356
m
p p u(r) dA m
u(r) dA
(5b)
shows a significant concentration of particles at the inlet center (Fig. 3b). In contrast, the normalized inlet mass flow rate
profile is zero at the radial center due to a reduction in crosssectional area (Fig. 3c). The corresponding particle seeding
displays a more even distribution of particles arising from the
balance of velocity and area within each ring (Fig. 3d).
2.5. Numerical method
Discretization errors may be defined as any difference
between the exact solution of the governing equations and
the discretized system [73]. These errors arise from numerical algorithms, the mesh style and quality used to discretize
the equations, and boundary conditions [46]. In this study,
errors arising from the mesh style and quality are of interest. To isolate mesh related discretization errors, a common
solution procedure implemented by a commercial code has
been selected and consistently applied to the four mesh styles
considered.
To solve the governing mass and momentum conservation
equations in each of the geometries and for each mesh style,
the CFD package Fluent 6 has been employed. This commercial software provides an unstructured control-volume-based
solution method for multiple mesh styles including structured
hexahedral, unstructured tetrahedral, and hybrid meshes.
User-supplied Fortran and C programs have been employed
for the calculation of initial particle profiles, particle deposition locations, grid convergence, and post-processing. All
transport equations were discretized to be at least second
order accurate in space. For the convective terms, a second
order upwind scheme was used to interpolate values from cell
centers to nodes. The diffusion terms were discretized using
central differences. To improve the computation of gradients
for the tetrahedral and hybrid meshes, face values were computed as weighted averages of values at nodes, which provides
an improvement to using cell center values for these meshes.
Nodal values for the computation of gradients were constructed from the weighted average of the surrounding cells,
following the approach proposed by Rauch et al. [74]. A segregated implicit solver was employed to evaluate the resulting
linear system of equations. This solver uses the GaussSeidel
method in conjunction with an algebraic multigrid approach
to solve the linearized equations. The SIMPLEC algorithm
was employed to evaluate pressurevelocity coupling. The
outer iteration procedure was stopped when the global mass
residual had been reduced from its original value by five
orders of magnitude and when the residualreduction rates
for both mass and momentum were sufficiently small. To
ensure that a converged solution had been reached, residual and reduction-rate factors were decreased by an order
of magnitude and the results were compared. The stricter
convergence criteria produced a negligible effect on both
velocity and particle deposition fields. To improve accuracy,
cgs units were employed, and all calculations were performed
in double precision. To further improve resolution in the particle deposition studies, geometries were scaled by a factor
357
Fig. 3. Two methods for specifying the inlet particle profile. (a) Normalized inlet velocity profile based on upstream conditions and (b) initial particle locations
based on the velocity profile. (c) Normalized inlet mass flow rate profile and (d) initial particle locations based on the mass flow rate profile.
103 2
i=1 i
3
10
1/2
(9)
rms
rp 1
(10)
358
3. Results
3.1. Velocity elds and grid convergence
Velocity vectors and contours of velocity magnitude are
shown in Fig. 4a for the SB model and a hexahedral mesh.
Fig. 4b and c illustrate x-direction velocity profiles extracted
at slice 1 for hexahedral and tetrahedral mesh styles, respectively. For the hexahedral mesh style, x-direction velocity
profiles appear to be identical between solutions for 22,000
and 79,000 cells (Fig. 4b). A grid convergence comparison
of these solutions results in an rms of 0.86% and a GCI
of 1.96%. Similarly, the x-direction profiles for tetrahedral
meshes with 26,000 and 97,000 control volumes are nearly
identical (Fig. 4c). However, grid convergence results for
these tetrahedral meshes result in rms and GCI values of
3.83% and 8.19%. Based on these comparisons, it does not
appear possible to accurately evaluate grid convergence by
graphical inspection alone. As such, quantitative measures of
grid convergence such as rms and GCI values are necessary.
Considering the SB geometry, grid convergence parameters have been evaluated for each of the four mesh styles
considered. Low-, mid- and high-resolution comparisons
between coarse and fine grids have been considered within
each mesh style. Results of this comparison in the form of
grid convergence values and required simulation times are
reported in Tables 36 and are discussed below. The number
of grid cells required is based on the presence of two symmetry plane, i.e., one-quarter of the geometry is meshed. As
described, grid convergence has been based on comparisons
between coarse and fine grid solutions at 1000 points concentrated in the region of the bifurcation. A layer of near-wall
Fig. 4. Midplane velocity field and sample mesh resolution effects for the SB model. (a) Contours of velocity magnitude, (b) velocity profiles at slice 1 for hex
meshes containing 22 103 and 79 103 control volumes (GCI = 1.96%), and (c) velocity profiles at slice 1 for tet meshes containing 26 103 and 96 103
control volumes (GCI = 7.93%).
r-Value
rms (%)
GCI (%)
Approximate run
for fine grid (min)
6.222
2279
79377
1.52
1.53
1.68
1.87
0.855
0.630a
4.23
1.96
1.04a
10
14
20
Table 4
Grid convergence measures for the tetrahedral mesh scheme
Grid sizes
(103 )
r-Value
rms (%)
GCI (%)
Approximate run
for fine grid (min)
2697
97354
3541092
1.55
1.54
1.455
3.83
3.63
4.31
8.19
7.93
11.55
70
105
150
r-Value
rms (%)
GCI (%)
Approximate run
for fine grid (min)
2873
73241
241657
1.37
1.48
1.40
3.19
2.00
3.97
10.84
5.00
12.55
30
45
60
Table 6
Grid convergence measures for the hybrid mesh scheme
Grid sizes
(103 )
r-Value
rms (%)
GCI (%)
Approximate run
for fine grid (min)
1851
51139
139385
1.40
1.39
1.40
4.07
3.50
4.25
12.5
11.19
13.20
30
90
120
359
360
Fig. 5. Comparison of steady grid-independent velocity field solutions (vectors) with Reinlet = 518 for the SB geometry to the experimental results of Zhao and
Lieber [55] (symbols) using the (a) multiblock hex mesh, (b) the pure tet mesh, (c) the flow adaptive tet mesh, and (d) the hybrid mesh.
361
Fig. 6. Velocity vectors, contours of velocity magnitude, and in-plane streamtraces at the midplane and selected slice locations for multiple grid independent
solutions of the PRB including the (a) hexahedral mesh with 285 103 control volumes, (b) tetrahedral mesh with 750 103 control volumes, (c) flow adaptive
mesh with 750 103 control volumes, and (d) hybrid mesh with 640 103 control volumes.
362
Fig. 7. Particle trajectories in the multiblock mesh illustrating a high percentage of deposition at the bifurcations (carinal ridges). Consistent particle
initial locations result in similar trajectory profiles for the various meshes
considered.
4. Discussion
In this study, the effects of mesh style and grid convergence on flow field and particle deposition variables have
been assessed for SB and PRB models of the respiratory
Fig. 8. Cumulative deposition fraction for the PRB model vs. linear distance in the y-direction (cf. Fig. 1b) compared to the experimental results of
Oldham et al. [44] for the same geometry and flow conditions. Both initial
particle specifications match the final deposition percentage (approximately
81%); however, specifying an initial particle profile consistent with the mass
flow rate results in the best fit to the local deposition pattern throughout the
geometry.
tract. For the relatively simple flow field of the SB model, the
mesh style had little visible impact on the flow field. However, the mesh style did significantly impact the midplane
and secondary flow features of the PRB model. Considering quantitative grid convergence, the hexahedral mesh was
observed to have GCI values that were an order of magnitude
below the unstructured tetrahedral meshes for all resolutions
Fig. 9. Particle deposition locations for 20 103 initial particles based on converged cumulative deposition profiles for the (a) hex mesh, (b) tet mesh, (c) flow
adaptive tet mesh, and (d) hybrid mesh.
Fig. 10. Cumulative deposition fraction vs. linear distance in the y-direction
for the four meshes considered and an initial particle profile based on the
inlet mass flux.
363
364
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