COMSOL V4.4 Pde

CO
M
L
SO
MULTIPHYSIC
S
Equation
Based(PDE)

V4
COMSOL MULTIPHYSICS
- Mathematics Interface -
Equation-Based Modeling:
PDEs, ODEs, and Algebraic Equations
2u
u
ea 2 d a
(cu u ) u au f
t
t
When is Equation-based Modeling Needed?
Try to avoid equation-based modeling if possible

Using built-in physics interfaces enables ready-made postprocessing variables
and other tools for faster model setup and much lower risk of human error
Long-time users sometimes use equation-based modeling even though it is not
needed any longer. It may have been needed in the past but not any longer, ex
amples:
Fluid-Structure Interaction (Structural Mechanics Module, MEMS Module)
Surface adsorption and reactions (Chemical Reaction Engineering Module,
Plasma Module)
Shell-Acoustics and Piezo-Acoustics (Acoustics Module)
Thermoacoustics (Acoustics Module)
and many more
When is Equation-based Modeling Needed?
Try to avoid equation-based modeling if possible

Using built-in physics interfaces enables ready-made postprocessing variables
and other tools for faster model setup and much lower risk of human error
Long-time users sometimes use equation-based modeling even though it is not
needed any longer. It may have been needed in the past but not any longer, ex
amples:
Thin Thermally Resistive Layer (contact resistance) boundary condition for Heat Tran
sfer in Solids. In older versions this required manual gluing of two physics interfaces
using equations on the boundary.
Adsorption (physics interface in in 4.2). Previously required weak form modeling.
and many more
But: we dont have every imaginable physics equation built-into CO

MSOL (yet!). So there is sometimes a need for custom modeling.
Custom-Modeling in COMSOL
COMSOL Multiphysics allows you to model with PDEs
or ODEs directly:
use one of the equation-template user interfaces
You do *not* need to write user-subroutines in COMS

OL to implement your own equation!
Benefit: COMSOLs nonlinear solver gets all the nonlinear info
with gradients and all. Faster and more robust convergence.
Customization Approaches
Four modeling approaches:
1. Ready-made physics interfaces
2. First principles with the equation templates
3. Start with ready-made physics interface and add additional ter
ms.
4. Start with a ready-made physics interface and add your own se
parate equation (PDE,ODE) to represent physics that is not alr
eady available as a ready-made application mode
Equation view
PDEs
Linear Model Problems: Fundamental Phenomena

u 0
Laplaces equation
Heat equation
ut (ku ) 0
Wave equation
utt (u ) 0
Helmholtz equation
(u ) u
For inhomogeneous versions, replace 0 with a function

depending on the independent variables
Convective Transport equation
ut bu x 0
COMSOL PDE Modes: Graphical User Interfaces
Can be used for scalar equations or systems

Note: coefficients may become operators of higher degree
Coefficient form
Coefficients correspond to common physical parameters (e.g., diffusion, advect
ion, etc.)
General form
Very flexible and compact
Weak form
PDE form that is the foundation of the FEM
Integral form that gives even more flexibility
Requires more expert knowledge
Q: Which to use?
A: Whichever is more convenient for you and your simulation.
Coefficient Form
2u
u
ea 2 d a
(cu u ) u au f
t
t
n (c u u ) qu g hT
hu r
on boundary
Example: Poissons equation
u 1
u0
inside domain
on boundary
Implies c=f=h=1 and all other coefficients are 0.
inside
domain
Demo:
Block: 10x1x1
PDE: default Poissons
equation with unknown u.
Dirichlet boundary
condition everywhere: u=0
Coefficient Form, Interpretations

diffusion
source
absorption
2u
u
ea 2 d a
(cu u ) u au f
t
t
mass
damping/
mass
convection
convection
source
Coefficient Form, Structural Analysis Wave Equati

on
elastic stress
initial/thermal
stress
2u
u
ea 2 d a
(cu u ) u au f
t
t
mass
damped
mass
body force
(gravitation)
ea
density
da
damping coefficient
cu
stress, u= displacement vector
stiffness, spring constant
Coefficient Form, Transport Diffusion Equation
diffusion
source
absorption
2u
u
ea 2 d a
(cu u ) u au f
t
t
accumulation/storage
convection
convection
source
Coefficient Form, Steady-State Equation

2u
u
ea 2 d a
(cu u ) u au f
t
t
u
0
t
2u
0
t 2
Coefficient Form, Frequency-Response Wave Eq

uation
diffusion
Helmholtz term
u
2u
ea 2 d a
(cu u ) u au f
t
t
Helmholtz equation:
(cu ) k 2u f
a k 2
k
Wave number
Wave length
source
Demo:
lambda=2.5
k=2*pi/lambda
a= - k^2
f=0
u=1 one end
u=0 other end
General Form A more compact formulation
u
u
inside domain
ea 2 d a
F
t
t
T
on domain boundary
n G
u
0R
For Poissons equation, the corresponding general form implies
All other coefficients are 0
ux uy F 1
R u.
Weak Form
u
F
t
General form
Multiply by test function v and integrate
da
dav
u
dA v dA vFdA
t
Perform integration by parts on the terms involving del expressions
u
dA v n ds v dA vFdA
0 v vF d a v dA v n ds
t
dav
Rearranged
Subdomain integral above is entered in the weak field:

-test(ux)*ux - test(uy)*uy + test(u)*F da*test(u)*ut
On the boundary, set constr: u
PDEs+ODEs
Transient Diffusion Equation ~ Heat Equation

diffusion
2u
u
ea 2 d a
(cu u ) u au f
t
t
source
accumulation/storage
d a C
ck
f volume heat source
Demo:
c=1
da=1
f=0
Transient 0->100 s
Cooling u=0 at ends
Heat Source f=1
Transient Diffusion Equation + ODE

2u
u
ea 2 d a
(cu u ) u au f
u
t
What if we wish to measure the global accumulation of
heat over time?
U udV volume integral of solution

V
w U dt
t
time integral of volume integral
Transient Diffusion Equation + ODE

2u
u
ea 2 d a
(cu u ) u au f
u
t
What if we wish to measure the global accumulation of
heat over time?
U udV
V
U dt
t [ t 0 ,t1 ]
wt U 0
VudV
dw
U
dt
=> This is a Global ODE in w
Global Equation ODE:

Same time-dependent problem as earlier
Time-dependent 0,10,100
Volume integration of u
ODE: wt-U
http://www.comsol.com/video/video-307 /
PDEs + Distributed ODEs
Transient Diffusion Equation + Distributed ODE

2u
u
ea 2 d a
(cu u ) u au f
u
t
What if we get damage from local accumulation of heat.
Example of real application: bioheating
P( x, y, z ) u ( x, y, z )dt
local time integral of solution
We want to visualize the P-field to assess local damage.

Lets assume damage happens where P>20.

2u
u
ea 2 d a
(cu u ) u au f
u
t
What if we get damage from local accumulation of heat.
Example of real application: bioheating
P( x, y, z ) u ( x, y, z )dt
dP
u at each point in space
dt

2u
u
ea 2 d a
(cu u ) u au f
u
t
dP
u local time integral of solution
dt
But this can be seen as a PDE with no spatial derivatives =
= Distributed ODE
Use coefficient form with unknown field P, c = 0, f = u, da=1
Let all other coefficients be zero
Volume where P>20 and we

get damage

2u
u
ea 2 d a
(cu u ) u au f
u
t
P( x, y, z ) u ( x, y, z )dt
Lets make this more realistic by adding phase change:

1) assume that damage is irreversible
2) assume that for the damage locations the diffusion
coefficient takes a different value:
c=1+2.75*(P(x,y,z)>20)
Phase Change
Phase change: c=1+2.75*(P(x,y,z)>20)
P>20 evaluates to either 0 (false) or 1 (true)
c takes two values: 1 or 3.75 depending on if damage is
done at a point or not
Phase Change
Phase change: c=1+2.75*(P(x,y,z)>20)
Also:
P ( x, y, z ) (u ( x, y, z ) 1)dt
t
Irreversible change!
Negative u:s arent allowed to decrease P
Once P>20, the change in diffusion coefficient c from 1 to
3.75 is permanent
Phase Change
More advanced phase change: c=1+2.75*(P(x,y,z)>20)
Also:
P ( x, y, z ) (u ( x, y, z ) 1)dt
t
For convergence:
inequalities may need smoothing:
P>20 ==> step1(P at 20,ds=5)
u>1
==> step2(u at 1,ds=0.5)
also: fine enough mesh to resolve phase fronts
Plot c to see phase change!
Phase Change
More advanced phase change: c=1+2.75*(P(x,y,z)>20)

Also:
P ( x, y, z ) (u ( x, y, z ) 1)dt
t
For convergence:
inequalities may need smoothing:
P>20 ==> step1(P at 20,ds=5)
u>1
==> step2(u at 1,ds=0.5)
also: fine enough mesh to resolve phase fronts
Diffusion coefficient with phase front clearly visible

for two different mesh cases. c=1 in blue areas and
c=3.75 in red areas.
Distributed Algebraic Equations
Example: Ideal gas law

Assume u=(u,v,w) and p given by Navier-Stokes
Want to solve Convection-Conduction in gas:
(kT ) C u T 0
given by ideal gas law:
pM
RT
Easy - analytical
Example: Non-ideal gas law

Assume u=(u,v,w) and p given by Navier-Stokes
Want to solve Convection-Conduction in gas:
(kT ) C u T 0
2
given by non-ideal gas law: A * ( p B )(1 C ) D 0
Needed for high molecular weight at very high pressure
s
Difficult implicit equation
How to proceed?
Example: Non-ideal gas law
How to solve:
A * ( p B 2 )(1 C ) D 0
Third order equation in
Pressure p is function of space
So: this is an algebraic equation at each point in space!
Distributed Algebraic Equation
How to solve:
A * ( p B 2 )(1 C ) D
Third order equation in
Pressure p is function of space
So: this is an algebraic equation at each point in space
See as PDE with no space or time derivatives!
A*(p+B*rho^2)*(1-C*rho)-D*rho
or if unknown is u:
A*(p+B*u^2)*(1-C*u)-D*u
Here we let: A=1,B=2,C=3, D=4, p=x*y
How: Put the entire equation in the source (f) term and zero out the rest
The solution u corresponding to

the equation A*(p+B*u^2)*(1C*u)-D*u, where p=x*y is
spatially varying.
Here the equation is solved for
each point within the unit
square.
Systems of PDEs
How to enter a system of PDEs?
Coefficient matching!
System Example: Linear Charge Relaxation
v ( D ) (V ) 0
t
( r 0V )
= volumetric electric charge

V = electric potential
= velocity of moving media
D = carried diffusivity
Coefficient Form, Interpretations

diffusion
source
absorption
2u
u
ea 2 d a
(cu u ) u au f
t
t
mass
damped
mass
convection
convection
source
The Coefficient Form PDE Template
u [ ,V ]
In our case the unknown u is a vector-valued quantity:
The coefficients will in this case be 2-by-2 matrices or 2-by-1

vectors
In order to be able to enter the -V system we need to do coefficient
matching. Many of the coefficients will be zero and we will need to
consider:
da
u
(cu ) u au f
t
The Coefficient Form PDE Template Coefficient Matching
u
da
(cu ) u au f
t

D
1 0 t
(
0
0 0 V

v x , v y 0 0 0 0
)
0 r V 0
0 V 1 0 V 0
v ( D ) (V ) 0
t
( r 0V )
Boundary Conditions, Coefficient Form

n (cu ) qu g
hu r
D
n (
0
q11 q12 g1
)
0 r V q21 q22 V g 2
h11
h
21
h12 r1
h22 V r2
We are allowed to choose the coefficients q, g, h and r freely.
The Modified ready-made Physcis Interface
Example problem: Coupled Diffusion
Consider the following coupled diffusion problem:
Species 1 is transported by normal diffusion, species 2 is additionally tra

nsported by gradients in species 1 with a coupling coefficient alpha.
1 0
0 1
Example problem:
We assume the initial and boundary

conditions as follows:
Horizontal boundaries are
insulating.
0
0
0
0.5
0
1
0.01
1
System behavior with alpha=0 (uncoupled)

Without coupling
both species are
diffusing from
opposite sides
undisturbed.
System behavior with alpha=D

With the coupling
the diffusion of
species 1 from the
left forces species
2 to retreat to the
right.
Implementation in COMSOL
In COMSOL you can implent such an equation in several ways, including:
The general form PDE:

PRO: Intuitive access to fluxes and mixed derivatives
CON: No physics interface, need to set up problem from scratch.
Modification of equation in physics interface

PRO: Seamless integration in existing model,
CON: Requires some understanding of the weak form.
Option 1: General Form PDE
The General Form PDE for two d

ependent variables allows you di
rectly to enter mixed flux terms.
The notation follows exactly the f
ormula.
Option 2: Modifying the equation
COMSOL translates PDEs typically into the weak form.

In the Equation View you can see and modify individual terms.
For a conventional diffusion problem with two species the weak terms are:
The modification for a mixed coupling
This small modification introduces the coupling between both species.

You can add this weak term in any of the lines active in Domains
Additional expressions could be added on boundaries.
It is necessary to understand the basics of the weak form before making c
hanges.
The following pages can help you to understand the terms, for more detail
s see Weak Form Theory Background in the COMSOL Multiphysics Refe
rence Guide.
Weak term derivation

We consider only the flux term:
0
multiply it with a test function (acting on equation 2) and integrate by parts:
Ignoring the boundary term we obtain:
For the moment we are interested in the kernel of the domain integral, i.e. the
domain weak term.
Weak term derivation (2)
,
,
Weak term derivation (3)

,
COMSOL notation:
,2
2
2
_ 2
PDE
Coefficient Form
General Form
Modified Readymade Application
Weak Form
ODE / DAE
Ready-made
Application (Module)
COMSOL MULTIPHYSICS
- Coefficient Form PDE -
PDEs in shells;
current conduction in a steel tank
Introduction
In many applications it is desirable to calculate phenomena in thin

structures, without actually modeling the thickness of the structure.
High geometrical aspect ratios can cause serious mesh problems
and sometimes geometry analysis problems.
If we know that the direction of a process is only in the tangential
direction of a thin shell, we can use COMSOL Multiphysics
tangential derivative variables to define an equation on a curved
shell or curved 2D edge.
Extremely small model compared with full 3D.
Current conduction in a tank
Tank with electrically live pipe fittings.
Domain Equation
( d V ) 0
Where d is the wall thickness (m) and is the electrical conductivity

(-1 m-1)
Results
Potential distribution
Results
Results
Solved with COMSOL Multiphysics 4.4
Shell Diffusion
Introduction
A goal for many applications is to predict physics in thin structures, such as shells,
without modeling the thickness of the structure. This is because large aspect ratios can
cause meshing and geometry analysis problems. The model reported here
demonstrates how to use the tangential derivative variables in COMSOL
Multiphysics to solve partial differential equations in curved 3D shells and 2D
boundaries without modeling their thickness.
Model Definition
The steel tank shown below has two pipe connections. One is grounded and the other
connects to a dead current source. This model calculates the current density in the tank
shell along with the potential distribution across the surface.
0V
400 V
EQUATIONS
The fundamental equation to solve is the current conduction, or charge conservation,

equation.
( V ) = 0
(1)
Here, is the electrical conductivity (S/m) and V is the electric potential (V).
The material is a 1 mm thick steel sheet with a conductivity of 4.032106 S/m. You
are working with a surface in 3D so there is no thickness in the model. To account for
the charge conservation in Equation 1 you must multiply the current flux expression
with the shell thickness d:
( dV ) = 0
(2)
1 |
SHELL DIFFUSION
Results
Figure 1 shows the potential distribution across the surface.
Figure 1: Electric potential distribution across the surface (V).

Figure 2 adds the current field as an arrow plot, showing clearly how the current
collects toward the grounded connection.
2 |
SHELL DIFFUSION
Figure 2: Arrow plot of the local current field.
Figure 3: Local magnitude of the electric current density (A/m2).
3 |
SHELL DIFFUSION
The plot of the magnitude of the local current density in Figure 3 is interesting because
you can use it to calculate the resistive heating in the material as an extension to the
model.
Notes About the COMSOL Implementation

Model Equation 2, the current conduction equation, using a Coefficient Form
Boundary PDE interface, setting the diffusion coefficient c = d. To define the current
field components use tangential derivative variables, which you access in COMSOL
Multiphysics by adding a T suffix to the variable name before specifying the gradient
component. So, for example, the tangential derivative (u/x)T is represented by the
variable uTx.
Model Library path: COMSOL_Multiphysics/Equation-Based_Models/

shell_diffusion
Modeling Instructions
From the File menu, choose New.
NEW
1 In the New window, click the Model Wizard button.

MODEL WIZARD
1 In the Model Wizard window, click the 3D button.

2 In the Select physics tree, select Mathematics>PDE Interfaces>Lower
Dimensions>Coefficient Form Boundary PDE (cb).
3 Click the Add button.
4 In the Dependent variables table, enter the following settings:
V
5 Click the Study button.

6 In the tree, select Preset Studies>Stationary.
7 Click the Done button.
4 |
SHELL DIFFUSION
GLOBAL DEFINITIONS
Parameters
1 On the Home toolbar, click Parameters.
2 In the Parameters settings window, locate the Parameters section.
3 In the table, enter the following settings:
Name
Expression
Value
Description
sigma
4.032e6[S/m]
4.032E6 S/m
Conductivity
1[mm]
0.001000 m
Shell thickness
GEOMETRY 1
Create the geometry. To simplify this step, insert a prepared geometry sequence.
1 On the Geometry toolbar, click Import/Export and choose Insert Sequence.
2 Browse to the models Model Library folder and double-click the file
shell_diffusion.mph.
3 Then click Build all on the Geometry toolbar.
COEFFICIENT FORM BOUNDARY PDE
1 In the Model Builder window, under Component 1 click Coefficient Form Boundary
PDE.
2 In the Coefficient Form Boundary PDE settings window, locate the Units section.
3 Find the Dependent variable quantity subsection. From the list, choose Electric potential (V).
4 In the Unit edit field, type A*m^-2.
Coefficient Form PDE 1

1 In the Model Builder window, expand the Coefficient Form Boundary PDE node, then
click Coefficient Form PDE 1.

2 In the Coefficient Form PDE settings window, locate the Diffusion Coefficient section.
3 In the c edit field, type sigma*d.
4 Locate the Source Term section. In the f edit field, type 0.
These settings specify the charge conservation equation Equation 2 for the shell
surface.
Dirichlet Boundary Condition 1

Go on to set the values of the potential at the pipe connections by adding Dirichlet
boundary conditions.
5 |
SHELL DIFFUSION
1 On the Physics toolbar, click Edges and choose Dirichlet Boundary Condition.
2 Select Edges 14, 15, 25, and 29 only.
3 In the Dirichlet Boundary Condition settings window, locate the Dirichlet Boundary
Condition section.
4 In the r edit field, type 400.
Dirichlet Boundary Condition 2

1 On the Physics toolbar, click Edges and choose Dirichlet Boundary Condition.
2 Select Edges 4043 only.
MESH 1
1 In the Model Builder window, under Component 1 click Mesh 1.

2 In the Mesh settings window, locate the Mesh Settings section.
3 From the Element size list, choose Finer.
4 Click the Build All button.
STUDY 1
On the Home toolbar, click Compute.
6 |
SHELL DIFFUSION
RESULTS
3D Plot Group 1
The default plot shows the potential distribution.
1 Click the Zoom Extents button on the Graphics toolbar.
Rotate the geometry so that you see both pipe connections. Then compare the result
with the plot in Figure 1.
Add an arrow surface plot of the current field as follows:
2 In the Model Builder window, right-click 3D Plot Group 1 and choose Arrow Surface.
3 In the Arrow Surface settings window, locate the Expression section.
4 In the x component edit field, type -sigma*VTx.
5 In the y component edit field, type -sigma*VTy.
6 In the z component edit field, type -sigma*VTz.
7 Select the Description check box.
8 In the associated edit field, type Current field (-sigma*VTx, -sigma*VTy,
-sigma*VTz).
9 Locate the Coloring and Style section. From the Arrow length list, choose Normalized.
10 On the 3D plot group toolbar, click Plot.
The plot in the Graphics window should now look like that in Figure 2.
3D Plot Group 2
To visualize the magnitude of the local current density, follow the steps given below.
1 On the Home toolbar, click Add Plot Group and choose 3D Plot Group.
2 In the 3D Plot Group settings window, click to expand the Title section.
3 From the Title type list, choose Manual.
4 In the Title text area, type Current density (A/m2).
5 Right-click Results>3D Plot Group 2 and choose Surface.
6 In the Surface settings window, locate the Expression section.
7 In the Expression edit field, type sigma*sqrt(VTx^2+VTy^2+VTz^2).
8 On the 3D plot group toolbar, click Plot.
7 |
SHELL DIFFUSION
** CAD **
G E O ME T R Y 1
Work Plane 1
1 In the Model Builder window, under Model 1 right-click Geometry 1 and choose Work Plane.
2 In the Work Plane settings window, locate the Plane Definition section.
3 From the Plane list, choose yz-plane.
Bzier Polygon 1
1 In the Model Builder window, under Model 1>Geometry 1>Work Plane1 right-click Plane
Geometry and choose Bzier Polygon.
2 In the Bzier Polygon settings window, locate the Polygon Segments section.
3 Find the Added segments subsection. Click the Add Linear button.
4 Find the Control points subsection. In row 2, set xw to 0.15.
6 Find the Control points subsection. In row 2, set yw to 1.
8 Find the Control points subsection. In row 2, set xw to 0.05.
9 Locate the General section. From the Type list, choose Open curve.
10 Click the Build Selected button.
Fillet 1
1 Right-click Plane Geometry and choose Fillet.
2 On the object b1, select Points 3 and 4 only.
3 In the Fillet settings window, locate the Radius edit field, type 0.05
5 Click tthe Build Se

elected butto
on.
Revolvee 1
1 In the Model Bu
uilder window, under Model 1>G
Geometry 1 right-click Work Plane 1 and
choose Revolve.
2 Right--click Revolv
ve 1 and cho
oose Build S
Selected.
Work P
Plane 2
1 Right--click Geome
etry 1 and choose
c
Work
k Plane.
2 In the
e Work Plane settings window,
w
locatte the Plane
e Definition section.
3 From the Plane lisst, choose yz-plane.
4 Click tthe Show Work
W
Plane button.
b
Circle 1
1 In the
e Model Bu
uilder windo
ow, under M
Model 1>Ge
eometry 1>Work Planee 2 right-clicck Plane
Geomettry and choo
ose Circle.
2 In the
e Circle settin
ngs window,, locate the Size and Sh
hape section.
3 In the
e Radius editt field, type 0.05.
4 Locate
e the Positio
on section. In the yw ed
dit field, type
e 0.2.
5 Click tthe Build Se
elected butto
on.
Extrudee 1
1 In the Model Bu
uilder window, under Model 1>G
Geometry 1 right-click Work Plane 2 and
choose Extrude.
2 In the
e Extrude settings windo
ow, locate th
he Distancess from Plane
e section.
3 In the
e table, enterr the following settings:

Convert to Surface 1
1 In the Model Builder window, right-click Geometry 1 and choose Conversions>Convert to
Surface.
2 Click the Select All Objects button on the Graphics toolbar.
Delete Entities 1
1 Right-click Geometry 1 and choose Delete Entities. Next, select all boundaries of the extruded
cylinder. This is most easily done as follows.
2 Click the Go to ZX View button on the Graphics toolbar.
3 Click the Wireframe Rendering button on the Graphics toolbar.
4 Click the Select box button on the Graphics toolbar, then click and drag in the Graphics window
to enclose the small cylinder, and finally right-click to confirm the selection.
6 Click the Go to Default 3D View button on the Graphics toolbar.
7 Click the Wireframe Rendering button on the Graphics toolbar to return to the default
rendering state.
The model geometry is now complete.
COMSOL MULTIPHYSICS
- General Form PDE -
Spherically Symmetric Transport
Heat Transport in a Hematite ore pellet

Symmetric approximation of a PDE
spherical polar coordinates
Simplify and multiply by r2
dimensionless
Rp=5mm
In the center of pellet
Rp=2.5mm
Spherically Symmetric Transport

Introduction
Many models of industrial-transport problems allow the assumption that the problem
is spherically symmetric. This assumption is of great importance because it eliminates
two space coordinates and leaves a 1D problem that is computationally fast and has
very small memory requirements. Some applications where spherical symmetry
assumptions are useful include:
Reaction and diffusion in catalytic pellets in chemical reactors
Heat and mass transfer in the processing of upgraded iron-ore pellets
Any other process that takes place in beads that are nearly spherical
For spherical symmetry to be valid, the following assumptions must apply:
The computational domain has a spherical shape
The outer-perimeter boundary condition does not change with the position on the
surface, that is, it does not vary with the space angles and
At any given time for a time-dependent problem, the material properties depend
only on the radial distance from the center, r, and not on the space angles and
For a time-dependent problem, the initial condition depends only on the radial
distance from the center, r, and not on the space angles and
Model Definition
The following example simulates the initial transient heating process of a pelletized
piece of magnetite ore. This is the first step in the process of making hematite ore
pellets, an important raw material for the steel industry.
During the initial heating of a magnetite pellet the temperature is in a range that allows
you to disregard any phase change of moisture. Thus it is possible to use a transient
heat-conduction equation with constant properties in spherical symmetry. You can also
scale the equation for easy parameterization of the radius.
COMSOL
1 |
S P H E R I C A L L Y S Y M M E T R I C TR A N S P O R T
Figure 1 depicts some pellets together with a push pin as a scale reference.
Figure 1: Hematite pellets after drying and oxidation (end product).

The figure shows that these pellets are indeed not perfectly spherical. Nonetheless, this
model takes advantage of the assumption of spherical symmetry.
DOMAIN EQUATIONS
Starting with the time-dependent heat conduction equation

T
c p ------- + ( kT ) = Q
t
and expanding it in spherical polar coordinates, the result is the equation
2T
-
T
1
T
1 2 T
1 - ------------- = Q
sin ------- + -------------------c p ------- k ----2- ----- r ------- + ----------------2
2
2
t
r
r r
r sin
r 2 sin
where is the density (kg/m3), cp gives the heat capacity (J/(kgK)), k denotes the
thermal conductivity (W/(mK)), and Q is an internal heat source (W/m3). Further,
r, , and are the spatial coordinates.
Assuming a perfect sphere of radius Rp and no change in temperature with differing
space angles, or T = T = 0 , gives
T 1
2 T
c p ------- + ----2- ----- k r ------- = Q
t r r
r
2 |
COMSOL
To avoid division by zero at r = 0, which causes numerical problems, multiply this

equation by r2
2
2 T
2
T
r c p ------- + ----- k r ------- = r Q
t r
r
(1)
Using a dimensionless radial coordinate r by scaling the equation provides the option
to quickly change the pellets radius without changing or parameterizing the geometry
size1. Introducing the dimensionless coordinate
1
r
r = -------, ----- = ------- ----R p r
R p r
and substituting in Equation 1 leads to
2
2
2
T k r - T
------- = r Q
r c p ------- + ----- ----------t r R 2 r
p
(2)
on the following domain:

r = 1
r = 0
r
In a similar manner, it is possible to derive equations similar to Equation 2 for porous

media flow, diffusion-reaction problems, and so on.
The model uses the following material data:
SYMBOL
NAME
VALUE
Density
2000 kg/m3
cp
Heat capacity
300 J/(kgK)
Conductivity
0.5 W/(mK)
Rp
Pellet radius
0.005 m
Heat source
0 W/m3
1. Note that scaling the variables to get well-conditioned problems is not necessary in COMSOL
Multiphysics because the solvers use automatic variable scaling.
COMSOL
3 |
BOUNDARY CONDITIONS AND INITIAL CONDITIONS
Because of symmetry about r = 0, there is zero flux through this point, meaning
T-----= 0.
r
At the surface, r = 1 , you use a convective heating expression with a heat transfer
coefficient, hs (W/(m2K), for the influx of heat (W/m2):
q in = h s ( T ext T )
(3)
This expression describes a hot gas with a temperature Text flowing around the pellet.
Text is chosen at 95 C. The heat transfer coefficient is set to 1000 W/(m2K). The
initial condition is set to 25 C.
Results
t=10s
t=0s
Figure 2: Temperature profiles from t = 0 to t = 10 s.

Figure 2 shows the temperature profiles from 0 to 10 seconds. Each line represents an
increment of 0.5 s from the preceding line. From the topmost line it is clear that the
4 |
COMSOL
center of the pellet has not reached steady state at 10 s. You can also plot the time
evolution of the temperature at the center of the pellet.
Figure 3: Time evolution of temperature in the center of a pellet with radius Rp = 5 mm.
COMSOL
5 |
Figure 3 shows even more clearly how long the process must yet go before it reaches
steady state. An interesting next step is to experiment with different particle radii, Rp,
and different heating times.
Figure 4: Time evolution in the center of a pellet with radius Rp = 2.5 mm.
Simply reducing the radius somewhat lets the model reach steady state within 7 s.

To implement Equation 2 and the boundary conditions of this problem, use the 1D
time-dependent version of the General Form PDE interface:
2
u
u
ea
+ da + = F
2
t
R
n = G + u
0=R
6 |
in
on
on
COMSOL
The space coordinate in the model is r . For typographical reasons we use rh in this
model for r-hat. Identifying the general form with Equation 2, the following
settings generate the correct equation:
COEFFICIENT
EXPRESSION
ea
da
2
r c p
(flux vector)
2
k r - -----T----------2
R p r
F (source term)
You must take special care when setting the heat-influx boundary condition on the
pellet surface. hs( Text T) = k T/r on the surface, so you need to compensate G
accordingly:
2
r
G = ------- h s ( T ext T )
Rp
Model Library path: COMSOL_Multiphysics/Equation-Based_Models/

spherically_symmetric_transport9D
MODEL WIZARD
1 From the File menu, choose New.

I
2 In the New window, Click the Model Wizard window.

C
3 Click the 1D button.

4 In the Select physics tree, select Mathematics>PDE Interfaces>General Form PDE (g).
5 Click Add .
6 Find the Dependent variables subsection. In the Dependent variables table, enter the
following settings:
T
COMSOL
7 |
7 Click the Study Button.

8 Find the Studies subsection. In the tree, select Preset Studies>Time Dependent.
9 Click Done.
ROOT
1 In the Model Builder window, click the root node.

2 In the Root settings window, locate the Unit System section.
3 From the Unit system list, choose None.
The equations in this model are given using the dimensionless radial coordinate.
Turning off unit support avoids warnings about inconsistent use of units.
GLOBAL DEFINITIONS
Parameters
1 In the Model Builder window, right-click Global Definitions and choose Parameters.
Name
Expression
Description
rho
2000
Density (kg/m^3)
cp
300
Heat capacity (J/(kg*K))
0.5
Thermal conductivity (W/(m*K))
Rp
0.005
Pellet radius (m)
Qs
Heat source (W/m^3)
hs
1000
Heat transfer coefficient (W/(m^2*K))
Text
368
External temperature (K)
Tinit
298
Initial value (K)
GEOMETRY 1
Interval 1
1 In the Model Builder window, under Model 1 right-click Geometry 1 and choose
Interval.
2 In the Settings window, click Build All.
8 |
COMSOL
GENERAL FORM PDE
General Form PDE 1

1 In the Model Builder window, under Model 1>General Form PDE click General Form
PDE 1.
2 In the General Form PDE settings window, locate the Conservative Flux section.
3 In the edit field, type -k*x^2/Rp^2*Tx.
4 Locate the Source Term section. In the f edit field, type x^2*Qs.
5 Locate the Damping or Mass Coefficient section. In the da edit field, type
x^2*rho*cp.
Note that Tx is the COMSOL Multiphysics syntax for the partial derivative of the
variable T with respect to the coordinate x.
Initial Values 1
1 In the Model Builder window, under Model 1>General Form PDE click Initial Values 1.
2 In the Initial Values settings window, locate the Initial Values section.
3 In the T edit field, type Tinit.
Flux/Source 1
1 In the Model Builder window, right-click General Form PDE and choose Flux/Source.
2 Select Boundary 1 only.
Flux/Source 2
1 Right-click General Form PDE and choose Flux/Source.
3 In the Flux/Source settings window, locate the Boundary Flux/Source section.
4 In the g edit field, type x^2/Rp*hs*(Text-T).
MESH 1
Scale 1
1 In the Model Builder window, under Model 1 right-click Mesh 1 and choose Scale.
2 In the Scale settings window, locate the Scale section.
3 In the Element size scale edit field, type 0.4.
Edge 1
1 In the Model Builder window, right-click Mesh 1 and choose Edge.
2 In the Settings window, click Build All.
COMSOL
9 |
STUDY 1
Step 1: Time Dependent

1 In the Model Builder window, expand the Study 1 node, then click Step 1: Time
Dependent.
2 In the Time Dependent settings window, locate the Study Settings section.
3 In the Times edit field, type range(0,0.25,10).
4 In the Model Builder window, right-click Study 1 and choose Compute.
RESULTS
The default plot shows the temperature versus the dimensionless radius for all times in
the specified interval.
1D Plot Group 1
1 In the Model Builder window, under Results click 1D Plot Group 1.
2 In the 1D Plot Group settings window, locate the Title section.
3 From the Title type list, choose Manual.
4 In the Title text area, type Temperature.
5 Locate the Plot Settings section. Select the x-axis label check box.
6 In the associated edit field, type Dimensionless radius.
7 Select the y-axis label check box.
8 In the associated edit field, type T (K).
9 Click the Plot button.
To plot the time evolution of temperature at the center of the pellet of radius 5 mm
(Figure 3), follow the steps given below.
1D Plot Group 2
1 In the Model Builder window, right-click Results and choose 1D Plot Group.
2 Right-click 1D Plot Group 2 and choose Point Graph.
4 In the Point Graph settings window, click to expand the Legends section.
5 Clear the Show legends check box.
6 In the Model Builder window, click 1D Plot Group 2.
7 In the 1D Plot Group settings window, locate the Plot Settings section.
8 Select the x-axis label check box.
10 |
COMSOL
9 In the associated edit field, type t (s).

11 In the associated edit field, type T (K).
Now change the pellet radius to 2.5 mm in the Parameters feature and see its effect on
the time evolution of temperature at the center of the pellet.
GLOBAL DEFINITIONS
Parameters
1 In the Model Builder window, under Global Definitions click Parameters.
Name
Expression
Description
Rp
0.0025
Pellet radius (m)
STUDY 1
In the Model Builder window, right-click Study 1 and choose Compute.

RESULTS
1D Plot Group 2
The resulting plot should look like Figure 4.
1 In the Model Builder window, under Results right-click 1D Plot Group 2 and choose
Plot.
COMSOL
11 |
COMSOL MULTIPHYSICS
- Weak Form PDE -
Adsorption and Heterogeneous

Reactions
Introduction
Small parallel plate reactor with an active surface is studied. These

types of processes are found in heterogeneous reactors, biacores,
etc.
The problem shows one of the most unique COMSOL Multiphysics

features; coupling phenomena defined in different dimensions. In
this case, a surface process is coupled to a process defined in a
volume.
Mass balance is defined on the surface with surface diffusion and

surface reaction rates using a tangential PDE. This, and the
corresponding adsorbing and desorbing processes, can be coupled
to the 2D problem through a (weak) boundary expression.
Geometry
The flow channel is modeled with a geometry and PDE in 2D

The active surface is modeled with another PDE that lives in 1D space only
Coupling Scheme
D c c u n cu n
k ads
(c cads )
k des
c
D c c u 0
t
D c c u n
k ads c 0 cads k des cads
D c c u n 0
c c0
cs
s Ds scs
t
k ads c 0 cs k des cs
Weak Form
The surface equation needs to be defined in a 1D weak application mode, and it is

coupled to the 2D PDE through a boundary condition:
da
General Form:
cs
F
t
0 0

c
T s
0 D
where:
da 1
F k adsc 0 cads k descads

Tangential PDEs have derivatives in the direction of the tangent-plane to the
surface only
Weak Form (Continued)

u
F
t
General form
Multiply by test function v and integrate
da
da v
u
dA v dA vFdA
t
Perform integration by parts on the terms involving del expressions
dav
u
dA v n ds v dA vFdA
t
0 v vF d a v dA v n ds
t
Rearranged
In COMSOL Multiphysics:
Ds*(-test(csTx)*csTx-test(csTy)*csTy)+test(cs)*(R-cst)
Concentration in the Bulk and at the Surface
Increase in lateral
supply of reactant
(radial diffusion)
Surface Concentration as Function of Time at the Surface
Concluding Remarks
The model is highly relevant for heterogeneous reactions

in the cases where the surface concentrations have to be
accounted for.
Access to the weak form gives added flexibility.
Other uses for extended multiphysics can include:

Coupling process control to chemical/transport processes
Modelling phenomena on different scales, such as packed beds
Tangential Version of the Weak Form
The Weak Form is needed to model equations embedded on/in sur

faces in 3D or curves in 2D.
This is a special case of the weak form where derivatives are repla
ced with so called tangential derivatives.
COMSOL has built-in physics interfaces for this within Heat Transf
er and Electromagnetics.
The tangential derivatives formulation is use in the so called condu
ctive shell physics interfaces: heat transfer shells, electric shielding
, magnetic shielding and so on.
For convection-diffusion there is not yet any physics interface avail
able but you can create your own as shown by the following exa
mple.
Transport and Adsorption

Introduction
This example demonstrates how you can model phenomena defined in different
dimensions (2D and 1D in this example) in a fully coupled manner using COMSOL
Multiphysics.
In this particular case, the model involves a small parallel-plate reactor with a catalytic
surface. Similar applications where surface processes are of critical importance include
biochip devices and a semiconductor components.
When modeling chemical reactions the reaction rates are commonly functions of the
concentrations of the reactants in the phase that transports the chemicals. However,
for surface reactions it is also necessary to account for the surface concentrations of the
active sites and surface adsorbed species. The mass balances in the bulk of the reactor
must therefore be coupled to the mass balances for species, present only at the surface
of the device.
Model Definition
The first approximation you can make is to reduce the 3D geometry to 2D, which is
reasonable if the variations in concentration are small along the depth of the domain.
Figure 1 shows how the 2D model domain is related to the full 3D reactor geometry.
COMSOL
1 |
TR A N S P O R T A N D A D S O R P T I O N
3D
2D
Gas outlet
Active surface
Active surface
As
A
Gas inlet
Modeled cross-section plane
Figure 1: The modeled domain is a parallel plate reactor with an active surface where you
want to model the concentration of surface species. A denotes molecular species dissolved in
gas and As the same species adsorbed on the surface.
MODEL EQUATIONS
The adsorption/desorption reaction at the surface is described by
kf
kr
AS
where kf and kr are forward and reverse rate constants. A and As are the molecular
species in the gas and adsorbed on active sites on the surface, respectively.
Let be the fractional of surface coverage, that is, the fraction of active sites occupied
by adsorbed molecules. The fraction of free sites is then 1 . Langmuir derived that
the rate of desorption of molecules, rdes (mol/(m2s)), is proportional to and equal
to kr where kr is a constant at constant temperature. Furthermore, the rate of
adsorption of molecules is proportional to both the fraction of free surface sites, 1 ,
and to the rate of which molecules strike the surface. The collision rate is in turn
directly proportional the partial pressure of the species, pA (Pa). The rate of adsorption
in mol/(m2s) is thus rads = kfpA(1 ).
where kf is a constant at constant temperature.
2 |
COMSOL
To set up transport and reaction equations in terms of c (bulk gas concentration of A

in mol/m3) and cs (surface concentration of A in mol/m2), make the following
substitutions:
cs
= -----s
p A = cRT
where
s is the total surface concentration of active sites (mol/m2)
R is the gas constant (J/(molK))
T is temperature (K)
which yields
r des = k des c s
(1)
r ads = k ads c ( s c s )
(2)
and
where
kdes = kr/s is the rate constant for the desorption reaction (m3/(mols))
kads = kfRT/s is the rate constant for the adsorption reaction (1/s)
Note: The surface concentration is in moles per unit surface.
The material balance for the surface, including surface diffusion and the reaction rate
expression for the formation of the adsorbed species, cs, is:
c s
-------- + ( D s c s ) = r ads r des
t
where Ds represents surface diffusivity. This gives the following equation for the
transport and reaction on the surface:
c s
-------- + ( D s c s ) = k ads c ( s c s ) k des c s
t
COMSOL
3 |
(3)
Equation 3 defines the units of the rate constants kads and kdes. The initial condition
is that the concentration of adsorbed species is zero at the beginning of the process:
cs = 0
The equation for the surface-reaction expression includes the concentration of the
bulk species, c, at the position of the catalyst surface. Thus you must solve the equation
for the surface reaction in combination with the mass balance in the bulk. The coupling
between the mass balance in the bulk and the surface is obtained as a boundary
condition in the bulks mass balance. This condition sets the flux of c at the boundary
equal to the rate of the surface reaction and is presented below. The transport in the
bulk of the reactor is described by a convection-diffusion equation:
----c+ ( D c + cu ) = 0
t
(4)
The initial condition sets the concentration in the bulk at t = 0:

c = c0
In the above equation, D denotes the diffusivity of the reacting species, c is its
concentration, and u is the velocity. In this case, the velocity in the x direction equals
0 while the velocity in the y direction comes from the analytical expression for fully
developed laminar flow between two parallel plates:
( x 0.5 ) 2
u = (0,v max 1 ------------------------- )
0.5
Here, is the distance between the plates, vmax is the maximum local velocity, and
x = 0 at the left boundary of the 2D model geometry depicted on the right in Figure 1.
BOUNDARY CONDITIONS
The boundary conditions for the surface species are insulating conditions according to:
n ( D s c s ) = 0
(5)
For the bulk, the boundary condition at the active surface couples the rate of the
reaction at the surface with the flux of the reacting species and the concentration of
the adsorbed species and bulk species:
n ( D c + cu ) = k ads c ( s c s ) + k des c s
4 |
(6)
COMSOL
The other boundary conditions for the bulk problem are:

Inlet: c = c0
Outlet: n (Dc + cu) = n cu
Insulation: n (Dc + cu) = 0

This model deals with a phenomenon (convection-diffusion) occurring in a 2D
domain coupled to another phenomenon (diffusion-reaction) occurring only on a part
of this domains 1D boundary. Model the 2D equation (Equation 4) using a Transport
of Diluted Species interface and the 1D equation (Equation 3) with a Weak Form
Boundary PDE interface on the active-surface boundary. The two interfaces are
coupled through the surface reaction rate expression on the right-hand side of
Equation 3, which becomes a flux in the boundary condition Equation 6 for
Equation 4. The Neumann condition Equation 5 is a natural boundary condition,
which means that you do not need to impose it explicitly.
Results and Discussion

The plot in Figure 2 shows the concentration, c, of the reacting species in the 2D
domain after 2 seconds of operation. The reaction is very fast and has almost reached
steady state in that time frame. Figure 3, which displays the concentration along a
vertical cross section of the active surface, shows that the concentration distribution
exhibits edge effects at both ends of the catalyst. The higher concentration near y = 0
is easy to explain because this is the position closest to the inlet, and this end is
therefore continuously supplied with fresh reactant. The increase in concentration at
the end closer to the outlet is due to diffusion; the edge of the surface can receive
diffusion in all directions within a 90 angle without having to compete for the reactant
supply with other parts of the catalysts. This effect also appears at the edge close to the
inlet.
COMSOL
5 |
Figure 2: Concentration of the reacting species, c, after 2 seconds of operation (t = 2 s).
Figure 3: Concentration of the reacting species along the active surface at t = 2 s.
6 |
COMSOL
The concentration of adsorbed species, cs, shows a similar spatial distribution.

However, while the concentration of the reactant decreases with time, the
concentration of adsorbed species increases. You can also see that the slight spatial
diffusion evens out the concentration gradients somewhat; see Figure 4.
Increasing time
Figure 4: The concentration of adsorbed species increases with time. The edge effect appears
at both edges due to the increased supply of reactants. This figure displays the concentration
after 0.05, 0.5, 1.0, 1.5, and 2.0 s.
The concentration of gas phase species at the surface decreases while the surface
concentration of the adsorbed species increases with time. This implies that the
adsorption rate decreases with time. You can see this effect in Figure 5, which also
shows that after 0.5 s the reaction rate almost reaches steady-state. The upper curve
COMSOL
7 |
shows the reaction rate after 0.05 s, while the lower curve represents the curves for 0.5,
1.0, 1.5, and 2.0 s, which are all on top of each other.
Increasing time
Figure 5: Surface reaction rate at the active surface. The largest reaction rate is obtained
initially and is at the edges of the active surface. The reaction process almost reaches steady
state at 0.5 s.
Model Library path:

COMSOL_Multiphysics/Chemical_Engineering/transport_and_adsorption
MODEL WIZARD

GI
2 In the New windows, click the Model Wizard window.

C
3 Click the 2D button

C
4 In the Select physics tree, select Chemical Species Transport>Transport of Diluted Species
(chds).
8 |
COMSOL
5 Click Add button.

6 In the Select physics tree, select Mathematics>PDE Interfaces>Lower Dimensions>Weak
Form Boundary PDE (wb).
7 Click Add button.
8 In the Dependent variables table, enter the following settings:
cs
9 Click the Study button.

10 Find the Studies subsection. In the tree, select Preset Studies for Selected
Physics>Time Dependent.
11 Click the Done button.
GLOBAL DEFINITIONS
Parameters
A set of model parameters are available in a text file.
2 Go to the Settings window for Parameters.
3 Locate the Parameters section. Click Load from File.
transport_and_adsorption_parameters.txt.
NAME
EXPRESSION
DESCRIPTION
c0
1000[mol/m^3]
Initial concentration
k_ads
1e-6[m^3/(mol*s)]
Forward rate constant
k_des
1e-9[1/s]
Backward rate constant
Gamma_s
1000[mol/m^2]
Active site concentration
Ds
1e-11[m^2/s]
Surface diffusivity
1e-9[m^2/s]
Gas diffusivity
v_max
1[mm/s]
Maximum velocity
delta
0.1[mm]
Channel width
GEOMETRY 1
1 In the Model Builder window, click Component 1>Geometry 1.

2 Go to the Settings window for Geometry.
3 Locate the Units section. From the Length unit list, choose mm.
COMSOL
9 |
Rectangle 1
1 Right-click Geometry 1 and choose Rectangle.
2 Go to the Settings window for Rectangle.
3 Locate the Size section. In the Width edit field, type 0.1.
4 In the Height edit field, type 0.3.
5 Locate the Position section. In the y edit field, type -0.1.
6 Click the Build All Objects button.
Point 1
1 In the Model Builder window, right-click Geometry 1 and choose Point.
2 Go to the Settings window for Point.
3 Locate the Point section. In the x edit field, type 0.1.
Point 2
1 In the Model Builder window, right-click Geometry 1 and choose Point.
2 Go to the Settings window for Point.
3 Locate the Point section. In the x edit field, type 0.1.
4 In the y edit field, type 0.1.
DEFINITIONS
Variables 1
1 In the Model Builder window, right-click Component 1>Definitions and choose Variables.
2 Go to the Settings window for Variables.
3 Locate the Geometric Entity Selection section. From the Geometric entity level list,
choose Boundary.
6 Locate the Variables section. In the Variables table, enter the following settings:
10 |
NAME
EXPRESSION
DESCRIPTION
k_ads*c*(Gamma_s-cs)-k_des*cs
Surface reaction rate
COMSOL
Variables 2
1 In the Model Builder window, right-click Definitions and choose Variables.
3 Locate the Geometric Entity Selection section. From the Geometric entity level list,
choose Domain.
4 Select Domain 1 only.
5 Locate the Variables section. In the Variables table, enter the following settings:
NAME
EXPRESSION
DESCRIPTION
v_lam
v_max*(1-((x-0.5*delta)/
(0.5*delta))^2)
Inlet velocity profile
TR A N S P O R T O F D I L U T E D S P E C I E S
Convection and Diffusion 1

1 In the Model Builder window, click Transport of Diluted Species>Convection and
Diffusion 1.
2 Go to the Settings window for Convection and Diffusion.
3 Locate the Diffusion section. In the Dc edit field, type D.
4 Locate the Model Inputs section. Specify the u vector as
0
v_lam
Initial Values 1
1 In the Model Builder window, click Transport of Diluted Species>Initial Values 1.
2 Go to the Settings window for Initial Values.
3 Locate the Initial Values section. In the c edit field, type c0.
Reactions 1
1 In the Model Builder window, right-click Transport of Diluted Species and choose
Reactions.
2 Select Domain 1 only.
Concentration 1
Concentration.
COMSOL
11 |
3 Go to the Settings window for Concentration.

4 Locate the Concentration section. Select the Species c check box.
5 In the c0,c edit field, type c0.
Flux 1
1 In the Model Builder window, right-click Transport of Diluted Species and choose Flux.
3 Go to the Settings window for Flux.
4 Locate the Inward Flux section. Select the Species c check box.
5 In the N0,c edit field, type -R.
Outflow 1
Outflow.
Symmetry 1
Symmetry.
2 Select Boundaries 1, 4, and 6 only.
Next, set up the equation and boundary conditions for the surface concentration, cs.
PDE
1 In the Model Builder window, click Model 1>Weak Form Boundary PDE.
2 Go to the Settings window for PDE.
3 Locate the Boundary Selection section. From the Selection list, choose Manual.
4 Click Clear Selection.
6 Locate the Units section. From the Dependent variable quantity list, choose None.
7 In the Unit edit field, type mol/m^2.
8 In the Unit edit field for the Source term quantity, type mol/(m^2*s).
Weak Form PDE 1

1 In the Model Builder window, click Weak Form Boundary PDE>Weak Form PDE 1.
2 Go to the Settings window for Weak Form PDE.
12 |
COMSOL
3 Locate the Weak Expressions section. In the weak edit field, type
Ds*(-test(csTx)*csTx-test(csTy)*csTy)+test(cs)*(R-cst).
In this expression, csTx and csTy refer to the x-component and y-component of
the projection of the gradient of the dependent variable cs to the tangential plane
at the boundary. Because Boundary 5, where the Weak Form Boundary PDE is
defined, is parallel to the y-axis, csTx happens to be identically zero in this case.
Moreover, cst is the time derivative of cst, and test() is the test function operator.
Pointwise Constraint 1
1 In the Model Builder, right-click Weak Form Boundary PDE and choose More>Pointwise Constraint.
2 Go to the Settings window for Pointwise Constraint.
3 Locate the Point Selection section. From the Selection list, select All points.
4 Select Vertices 4 and 5 only.
5 Locate the Pointwise Constraint section. From the Constraint type list, select User
defined.
ME SH 1
Free Triangular 1
In the Model Builder window, right-click Component 1>Mesh 1 and choose Free Triangular.
Size 1
1 In the Model Builder window, right-click Mesh 1>Free Triangular 1 and choose Size.
2 Go to the Settings window for Size.
3 Locate the Geometric Entity Selection section. From the Geometric entity level
list, choose Boundary.

5 Locate the Element Size section. Click the Custom button.
6 Locate the Element Size Parameters section. Select the Maximum element size
check box.
7 In the associated edit field, type 1.5[um].
COMSOL
13 |
STUDY 1

Dependent.
2 Go to the Settings window for Time Dependent.
3 Locate the Study Settings section. In the Times edit field, type range(0,0.05,2).
RESULTS
Concentration (chds)
The first default plot shows the concentration of the reacting species at the end of the
simulation interval, t = 2 s.
Next, create a plot of the final concentration at the reacting surface.
1D Plot Group 3
2 Go to the Settings window for 1D Plot Group.
3 Locate the Data section. From the Time selection list, choose From list.
14 |
COMSOL
4 In the Time list, select 2.

5 Right-click 1D Plot Group 3 and choose Line Graph.
7 Go to the Settings window for Line Graph.
8 In the upper-right corner of the x-Axis Data section, click Replace Expression.
9 From the menu, choose y-coordinate (y).
10 Locate the x-Axis Data section. From the Unit list, choose mm.
The plot should look like that in Figure 3.

Proceed to reproduce the plot in Figure 4 showing the concentration of adsorbed
species at selected times. You can use the plot group you just created as the starting
point.
1D Plot Group 4
1 In the Model Builder window, right-click 1D Plot Group 3 and choose Duplicate.
2 Go to the Settings window for 1D Plot Group.
3 Locate the Data section. In the Time list, choose 0.05, 0.5, 1, 1.5, and 2.
4 In the Model Builder window, expand the 1D Plot Group 4 node, then click Line Graph
1.
6 In the upper-right corner of the y-Axis Data section, click Replace Expression.
7 From the menu, choose Weak Form Boundary PDE>Dependent variable cs (cs).
Finally, reproduce the plot in Figure 5 of the surface reaction rate at the same times.
Again, use the previous plot group as the starting point.
1D Plot Group 5
1 In the Model Builder window, right-click 1D Plot Group 4 and choose Duplicate.
2 Expand the 1D Plot Group 5 node, then click Line Graph 1.
4 In the upper-right corner of the y-Axis Data section, click Replace Expression.
5 From the menu, choose Definitions>Surface reaction rate (R).
COMSOL
15 |
COMSOL MULTIPHYSICS
- ODE & DAE Interfaces -
Terminal Falling Velocity of a Sand Grain
Couples the flow

simulation in cylindrical
coordinates with an
ODE for the force
balance of the particle.
Falling velocity of the grain
The force on the sand grain
Terminal Falling Velocity of a Sand

Grain
Introduction
The first stop for polluted water entering a water work is normally a large tank, where
large particles are left to settle. More generally, gravity settling is an economical
method of separating particles. If the fluid in the tank is moving at a controlled low
velocity, the particles can be sorted in separate containers according to the time it takes
for them to reach the bottom.
This model simulates a spherical sand grain falling in water. The grain accelerates from
standstill and rapidly reaches its terminal velocity. The results agree with experimental
studies. The model is an axially symmetric fluid-flow simulation in a moving coordinate
system, coupled to an ordinary differential equation (ODE) describing the grains
motion.
Model Definition
The model couples the flow simulation in cylindrical coordinates with an ODE for the
force balance of the particle. Due to axial symmetry, you can model the flow in 2D
instead of 3D. The figure below shows the modeling domain.
COMSOL
1 |
TE R M I N A L F A L L I N G V E L O C I T Y O F A S A N D G R A I N
DOMAIN EQUATIONS
The fluid flow is described by the Navier-Stokes equations
u
T
( u + ( u ) ) + u u + p = F
t
u = 0
where denotes the density (kg/m3), u the velocity (m/s), the viscosity (Ns/m2),
and p the pressure (Pa). The fluid is water with a viscosity of 1.51103 Ns/m2 and a
density of 1000 kg/m3. The model uses the accelerating reference system of the sand
grain. This means that the volume force density F is given by:
F r = 0,
Fz = ( a + g )
where a (m/s2) is the acceleration of the grain and g = 9.81 m/s2 is the acceleration
due to gravity. The ODE that describes the force balance is:
mx = F g + F z
where m (kg) denotes the mass of the particle, x (m) the position of the particle, Fg
(N) the gravitational force, and Fz the z-component of the force that the water exerts
on the sand grain. The gravitational force is given by:
F g = grain V grain g
where Vgrain (m3) is the volume of the sand grain and grain (kg/m3) its density. The
force that the water exerts on the grain is calculated by integrating the normal
component of the stress tensor over the surface of the particle. Because the model is
axially symmetric, only the forces z-component is nonzero:
F z = 2 rn [ pI + ( u + ( u ) ) ] dS
S
where r (m) is the radial coordinate and n is the normal vector on the surface of the
grain.
The initial values for position and velocities are u 0 = v 0 = x 0 = x 0 = 0 .

BOUNDARY CONDITIONS
At the spheres surface, the fluid velocity relative the sphere is zero, that is u = 0a
situation described by the no-slip wall condition. At the inlet of the fluid domain the
velocity equals the falling velocity: u = ( 0, x ) . At the outer boundary of the water
2 |
COMSOL
domain, the normal velocity and the tangential shear stress both vanish, which means
that a symmetry condition applies. Furthermore, a neutral condition,
n [pI + (u + (u)T)] = 0, describes the outlet, and an axial symmetry condition
models the symmetry axis at r = 0.
Results
Figure 1 shows the velocity field at the final simulation time, t = 1 s, when the particle
has reached steady state.
Figure 1: The velocity field at steady state. Note that the velocities are plotted in the
reference system of the sand grain.
The following series of snapshots (Figure 2) displays velocity field from a moment just
after the sand grain is released until it is approaching steady state. Notice the
recirculation forming above the grain.
COMSOL
3 |
Figure 2: The velocity field around the sand grain at a series of times (t = 0.025 s, 0.05 s,
0.075 s, 0.1 s, 0.15 s, 0.2 s, 0.3 s, 0.5 s, and 0.75 s). For a color legend, see Figure 1.
4 |
C O M S O L
Figure 3 shows the falling velocity of the grain as a function of time.
Figure 3: Falling velocity (m/s) of the grain versus time. After the solution time of 1 s, the
velocity approaches the terminal velocity.
The terminal velocity equals 0.291 m/s. When this state is reached, the gravity and the
forces from the water cancel out. Figure 4 shows the forces on the sand grain.
Figure 4: The forces on the sand grain. The force that the water exerts on the sphere (blue
line) increases as the grain gains speed. The gravity force (red line) remains the same, and
the total force (black line) tends toward zero as the solution approaches steady state.
COMSOL
5 |
Several approximate equations have been proposed for the terminal velocity of a sphere
falling in a fluid. Ref. 1 cites the following expression for the total force that the fluid
exerts on the sphere, as a function of the velocity:
2 2
0.31
0.06 3.45
F = --- d v ( 1.84Re
+ 0.293Re
)
4
Here d (m) is the diameter of the sphere, (kg/m3) is the fluid density, v (m/s) is the
velocity, and Re = (vd)/ is the Reynolds number, with (Ns/m2) being the viscosity
of the fluid. The gravity force is given analytically as Fg = d3( s)g/6, where
s (kg/m3) is the density of the sphere. Equating the two forces and introducing the
values used in the simulation gives an approximate terminal velocity of 0.284 m/s.
The same reference discusses correction factors for nonspherical particles. You can
easily adapt the model to hold for a general axially symmetric object (by redrawing the
geometry) or even an arbitrarily shaped object (by modeling in 3D).
Reference
1. J.M. Coulson and J.F. Richardson, Chemical Engineering vol. 2, 4th ed., 1993.
Model Library path: COMSOL_Multiphysics/Fluid_Dynamics/falling_sand(V4.3)
MODEL WIZARD

G
2 Go to the Model Wizard window.

C
3 Click the 2D axisymmetric button.

4 In the Add physics tree, select Fluid Flow>Single-Phase Flow>Laminar Flow (spf).
5 Click Add.
6 Find the Studies subsection. In the tree, select Preset Studies>Time Dependent.
7 Click Done.
GLOBAL DEFINITIONS
A set of global parameters are provided in a text file.
6 |
COMSOL
Parameters
3 Click Load from File.
falling_sand_parameters.txt.
GEOMETRY 1
Rectangle 1
1 In the Model Builder window, under Component 1 right-click Geometry 1 and choose
Rectangle.
2 In the Rectangle settings window, locate the Size section.
3 In the Width edit field, type 6e-3.
4 In the Height edit field, type 14e-3.
5 Locate the Position section. In the z edit field, type -6e-3.
Circle 1
1 In the Model Builder window, right-click Geometry 1 and choose Circle.
2 In the Circle settings window, locate the Size and Shape section.
3 In the Radius edit field, type 1e-3.
Difference 1
1 Right-click Geometry 1 and choose Boolean Operations>Difference.
2 In the Difference settings window, locate the Difference section.
3 Under Objects to add, click Activate Selection.
4 Select the object r1 only.
5 Under Objects to subtract, click Activate.
6 Select the object c1 only.
This completes the model geometry.

Define an integration coupling operator and a variable using this operator. Later, you
will use this variable to calculate the drag force.
COMSOL
7 |
DEFINITIONS
Integration 1
1 In the Model Builder window, under Component 1 right-click Definitions and choose
Component Couplings>Integration.
2 In the Integration settings window, locate the Source Selection section.
3 From the Geometric entity level list, choose Boundary.
4 Select Boundaries 6 and 7 only.
5 Locate the Advanced section. From the Method list, choose Summation over nodes.
Variables 1
1 In the Model Builder window, right-click Definitions and choose Variables.
2 In the Variables settings window, locate the Variables section.
Name
Expression
Description
F_z
intop1(-reacf(w))
Drag force
Here, w is the z-component of the fluid velocity and reacf() is the reaction force
operator.
LAMINAR FLOW
1 In the Model Builder window, under Component 1 click Laminar Flow.

2 In the Laminar Flow settings window, locate the Physical Model section.
3 From the Compressibility list, choose Incompressible flow.
Fluid Properties 1
1 In the Model Builder window, expand the Laminar Flow node, then click Fluid
Properties 1.
2 In the Fluid Properties settings window, locate the Fluid Properties section.
3 From the list, choose User defined. In the associated edit field, type rho_water.
4 From the list, choose User defined. In the associated edit field, type mu_water.
Volume Force 1
1 In the Model Builder window, right-click Laminar Flow and choose Volume Force.
2 In the Volume Force settings window, locate the Domain Selection section.
3 From the Selection list, choose All domains.
8 |
C O M S O L
4 Locate the Volume Force section. In the F table, enter the following settings:
0
-rho_water*(Xdott+g_const)
Next, add a Global Equations node for the equation of motion for the falling grain. By
default, this feature is not visible.
1 In the Model Builder windows toolbar, click the Show button and select Advanced
Physics Options in the menu.
Global Equations 1
1 Right-click Laminar Flow and choose Global>Global Equations.
Enter the second-order ODE as a system of two coupled first-order ODEs:

2 In the Global Equations settings window, locate the Global Equations section.
Name
f(u,ut,utt,t)
Xt-Xdot
Xdot
Xdott-(F_z+F_g)/m_grain
Inlet 1
1 Right-click Laminar Flow and choose Inlet.
3 In the Inlet settings window, locate the Velocity section.
4 In the U0 edit field, type -Xdot.
Open Boundary 1
1 Right-click Laminar Flow and choose Open Boundary.
Wall 2
1 Right-click Laminar Flow and choose Wall.
2 In the Wall settings window, locate the Boundary Condition section.
3 From the Boundary condition list, choose Slip.
COMSOL
9 |
MESH 1
Free Triangular 1
In the Model Builder window, under Component 1 right-click Mesh 1 and choose Free
Triangular.
Size 1
1 In the Model Builder window, under Component 1>Mesh 1 right-click Free Triangular 1
and choose Size.

2 In the Size settings window, locate the Geometric Entity Selection section.
6 Locate the Element Size Parameters section. Select the Maximum element size check
box.
7 In the associated edit field, type 1.5e-4.
Size 2
1 Right-click Free Triangular 1 and choose Size.
2 In the Size settings window, locate the Geometric Entity Selection section.
4 Select Boundaries 6 and 7 only.
6 Locate the Element Size Parameters section. Select the Maximum element size check
box.
7 In the associated edit field, type 0.75e-4.
Size
1 In the Model Builder window, under Model 1>Mesh 1 click Size.
2 In the Size settings window, locate the Element Size section.
3 From the Predefined list, choose Finer.
4 Locate the Element Size Parameters section. In the Maximum element growth rate edit
field, type 1.05.

10 |
COMSOL
STUDY 1

Dependent.
2 In the Time Dependent settings window, locate the Study Settings section.
3 In the Times edit field, type range(0,0.025,1).
4 In the Model Builder window, right-click Study 1 and choose Show Default Solver.
5 Expand the Study 1>Solver Configurations node.
Solver 1
1 In the Model Builder window, expand the Study 1>Solver Configurations>Solver 1
node, then click Time-Dependent Solver 1.

2 In the Time-Dependent Solver settings window, click to expand the Time Stepping
section.
3 From the Steps taken by solver list, choose Intermediate.
This setting forces the solver to take at least one step in each of the time intervals
you specified.
RESULTS
Velocity (spf)
The default plot shows the velocity magnitude as a surface plot. Add a streamline plot
of the velocity field by following the steps below.
1 In the Model Builder window, under Results right-click Velocity (spf) and choose
Streamline.
2 In the Streamline settings window, locate the Streamline Positioning section.
3 From the Positioning list, choose Magnitude controlled.
4 Locate the Coloring and Style section. From the Color list, choose Black.
Visualize the approach to this steady state by creating the series of snapshots of the
velocity field (Figure 2).First, fix the color range for the surface plot to get the same
color-to-velocity mapping for all time steps.
7 In the Model Builder window, under Results>Velocity (spf) click Surface 1.
COMSOL
11 |
8 In the Surface settings window, click to expand the Range section.

9 Select the Manual color range check box.
10 Locate the Coloring and Style section. Clear the Color legend check box.
12 In the Model Builder window, click Velocity (spf).
13 In the 2D Plot Group settings window, locate the Data section.
14 From the Time list, choose 0.025.
1 To reproduce the remaining plots, plot the solution for the time values 0.0 5 s,
0.075 s, 0.1 s, 0.15 s, 0.2 s, 0.3 s, 0.5 s, and 0.75 s.

Finally, generate a movie.
2 Click the Player button on the main toolbar.
Export
COMSOL Multiphysics generates a movie and then plays it.
To replay the movie, click the Play button on the Graphics toolbar. If you want to
export a movie in GIF, Flash, or AVI format, right-click Export and create an
Animation feature.
Next, visualize the grain's downward velocity as a function of time.
1D Plot Group 4
2 In the 1D Plot Group settings window, click to expand the Title section.
3 From the Title type list, choose None.
5 In the associated edit field, type Time (s).
7 In the associated edit field, type Grain speed (m/s).
8 Right-click Results>1D Plot Group 4 and choose Point Graph.
9 Select Point 1 only.
10 In the Point Graph settings window, locate the y-Axis Data section.
11 In the Expression edit field, type -Xdot.
12 |
COMSOL
To view all the forces in the same figure, follow the steps given below.
1D Plot Group 5
2 In the 1D Plot Group settings window, locate the Title section.
3 From the Title type list, choose None.
5 In the associated edit field, type Time (s).
7 In the associated edit field, type Fz, Fg, and
Fg+Fz (N).
The HTML tags 'sub' and 'sup' give subscripts and superscripts, respectively.
8 Right-click Results>1D Plot Group 5 and choose Point Graph.
10 In the Point Graph settings window, click Replace Expression in the upper-right
corner of the y-Axis Data section. From the menu, choose Definitions>Drag force
(F_z).
11 Click to expand the Coloring and Style section. Find the Line style subsection. From
the Color list, choose Blue.

12 Click to expand the Legends section. Select the Show legends check box.
13 From the Legends list, choose Manual.
Legends
F_z

16 In the Model Builder window, right-click 1D Plot Group 5 and choose Point Graph.
19 In the Expression edit field, type F_g.
20 Locate the Coloring and Style section. Find the Line style subsection. From the Color
list, choose Red.

21 Locate the Legends section. Select the Show legends check box.
COMSOL
13 |

Legends
F_g

25 Right-click 1D Plot Group 5 and choose Point Graph.
28 In the Expression edit field, type F_z+F_g.
29 Locate the Coloring and Style section. Find the Line style subsection. From the Color
list, choose Black.

30 Locate the Legends section. Select the Show legends check box.
Legends
F_z+F_g
14 |
C O M S O L
Verify and optimize your designs with COMSOL Multiphysics
() TEL: 02-547-2344 FAX: 02-547-2343 E-mail: comsol@altsoft.co.kr Homepage: www.altsoft.co.kr

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CO

When is Equation-based Modeling Needed?

Try to avoid equation-based modeling if possible

When is Equation-based Modeling Needed?

Try to avoid equation-based modeling if possible

But: we dont have every imaginable physics equation built-into CO

You do *not* need to write user-subroutines in COMS

Linear Model Problems: Fundamental Phenomena

For inhomogeneous versions, replace 0 with a function

Convective Transport equation

COMSOL PDE Modes: Graphical User Interfaces

Can be used for scalar equations or systems

Example: Poissons equation

Implies c=f=h=1 and all other coefficients are 0.

Coefficient Form, Interpretations

Coefficient Form, Structural Analysis Wave Equati

stress, u= displacement vector

stiffness, spring constant

Coefficient Form, Transport Diffusion Equation

Coefficient Form, Steady-State Equation

Coefficient Form, Frequency-Response Wave Eq

General Form A more compact formulation

For Poissons equation, the corresponding general form implies

All other coefficients are 0

Multiply by test function v and integrate

Perform integration by parts on the terms involving del expressions

Subdomain integral above is entered in the weak field:

Transient Diffusion Equation ~ Heat Equation

Cooling u=0 at ends

Heat Source f=1

Transient Diffusion Equation + ODE

U udV volume integral of solution

time integral of volume integral

Transient Diffusion Equation + ODE

=> This is a Global ODE in w

Global Equation ODE:

PDEs + Distributed ODEs

Transient Diffusion Equation + Distributed ODE

local time integral of solution

We want to visualize the P-field to assess local damage.

Transient Diffusion Equation + Distributed ODE

local time integral of solution

Transient Diffusion Equation + Distributed ODE

Volume where P>20 and we

Transient Diffusion Equation + Distributed ODE

local time integral of solution

Lets make this more realistic by adding phase change:

Plot c to see phase change!

More advanced phase change: c=1+2.75*(P(x,y,z)>20)

Diffusion coefficient with phase front clearly visible

Distributed Algebraic Equations

Example: Ideal gas law

given by ideal gas law:

Example: Non-ideal gas law

Example: Non-ideal gas law

Distributed Algebraic Equation

Here we let: A=1,B=2,C=3, D=4, p=x*y

The solution u corresponding to

System Example: Linear Charge Relaxation

= volumetric electric charge

Coefficient Form, Interpretations

The Coefficient Form PDE Template

In our case the unknown u is a vector-valued quantity:

You do not need to write user-subroutines in COMS