Homework 4( Isoelectric Problem)

Report date Feb 6, 2017 11:54:49 AM

Subrata Kumar Kundu

1
Contents
1. Global Definitions ................................................................................................................................ 3
1.1. Parameters 1 ............................................................................................................................................................... 3
1.2. Functions ...................................................................................................................................................................... 3
2. Component 1 ........................................................................................................................................ 6
2.1. Definitions .................................................................................................................................................................... 6
2.2. Geometry 1 .................................................................................................................................................................. 7
2.3. Materials ....................................................................................................................................................................... 8
2.4. Electrostatics ............................................................................................................................................................... 9
2.5. Transport of Diluted Species ..............................................................................................................................22
2.6. Laminar Flow .............................................................................................................................................................45
2.7. Meshes ........................................................................................................................................................................62
3. Study 1 ................................................................................................................................................ 65
3.1. Stationary ...................................................................................................................................................................65
3.2. Stationary 2 ...............................................................................................................................................................65
3.3. Solver Configurations ............................................................................................................................................65
4. Results ................................................................................................................................................. 72
4.1. Data Sets.....................................................................................................................................................................72
4.2. Plot Groups ................................................................................................................................................................74

2
1 Global Definitions
Date Feb 6, 2017 10:08:32 AM

GLOBAL SETTINGS
Name Untitled.mph
Path C:\Users\skundu\Documents\Untitled.mph
COMSOL version COMSOL 5.2a (Build: 152)

USED PRODUCTS
COMSOL Multiphysics
Batteries & Fuel Cells Module

1.1 PARAMETERS 1
PARAMETERS
Name Expression Value Description
W 3.5[mm] 0.0035 m Channel width
H 10[mm] 0.01 m Channel height
a 0.3[mm] 3E4 m Inlet width
iep_1 3.5 3.5 Isoelectric point, protein 1
iep_2 4.7 4.7 Isoelectric point, protein 2
iep_3 6.1 6.1 Isoelectric point, protein 3
iep_4 7.5 7.5 Isoelectric point, protein 4
iep_5 9 9 Isoelectric point, protein 5
iep_6 10.2 10.2 Isoelectric point, protein 6
D_p 5e-9[m^2/s] 5E9 m/s Protein diffusion coefficient
mob_p 2e-13[s*mol/kg] 2E13 smol/kg Protein mobility
Uave 1.5[mm/s] 0.0015 m/s Average carrier fluid velocity
c_in 1000[mol/m^3] 1000 mol/m Initial concentration
V0 70[V] 70 V Voltage
epsilon 10 10 Relative permittivity, water

1.2 FUNCTIONS

1.2.1 Step 1
Function name step1
Function type Step

3
 Step 1

PARAMETERS
Description Value
Location 0
From -1
To 1

SMOOTHING
Description Value
Size of transition zone 1

1.2.2 Interpolation 1
Function names pH
Function type Interpolation

4
Interpolation 1

5
2 Component 1
COMPONENT SETTINGS
Unit system SI

2.1 DEFINITIONS

2.1.1 Variables

Variables 1

SELECTION
Geometric entity level Domain
Selection Domain 1

Name Expression Unit Description

c_tot c1 + c2 + c3 + c4 + c5 + c6 mol/m total protein concentration

2.1.2 Coordinate Systems

Boundary System 1

Coordinate system type Boundary system

Tag sys1

COORDINATE NAMES
First Second Third
t1 n to

6
2.2 GEOMETRY 1

Geometry 1

UNITS
Length unit mm
Angular unit deg

GEOMETRY STATISTICS
Description Value
Space dimension 2
Number of domains 1
Number of boundaries 6
Number of vertices 6

2.2.1 Rectangle 1 (r1)

POSITION
Description Value
Position {0, 0}

SIZE
Description Value
Width W
Height H

7
2.2.2 Point 1 (pt1)
POINT
Description Value
Point coordinate {(W - a)/2, 0}

2.2.3 Point 2 (pt2)

POINT
Description Value
Point coordinate {(W + a)/2, 0}

2.3 MATERIALS

2.3.1 Water

Water

SELECTION
Geometric entity level Domain
Selection Domain 1

MATERIAL PARAMETERS
Name Value Unit
Dynamic viscosity eta(T[1/K])[Pa*s] Pas
Density rho(T[1/K])[kg/m^3] kg/m
Relative permittivity epsilon 1

8
 BASIC SETTINGS
Description Value
Dynamic viscosity eta(T[1/K])[Pa*s]
Ratio of specific heats 1.0
Electrical conductivity {{5.5e-6[S/m], 0, 0}, {0, 5.5e-6[S/m], 0}, {0, 0, 5.5e-6[S/m]}}
Heat capacity at constant pressure Cp(T[1/K])[J/(kg*K)]
Density rho(T[1/K])[kg/m^3]
{{k(T[1/K])[W/(m*K)], 0, 0}, {0, k(T[1/K])[W/(m*K)], 0}, {0, 0,
Thermal conductivity
k(T[1/K])[W/(m*K)]}}
Speed of sound cs(T[1/K])[m/s]
Relative permittivity {{epsilon, 0, 0}, {0, epsilon, 0}, {0, 0, epsilon}}

2.4 ELECTROSTATICS
USED PRODUCTS
COMSOL Multiphysics

Electrostatics

SELECTION
Geometric entity level Domain
Selection Domain 1

EQUATIONS

9
SETTINGS
Description Value
Electric potential Quadratic
Value type when using splitting of complex variables Complex
Activate terminal sweep Off
Reference impedance 50[ohm]

VARIABLES
Name Expression Unit Description Selection
Out-of-plane
es.d 1 m Domain 1
thickness
Normal vector, Boundaries 1
es.nx dnx
x component 6
Normal vector, Boundaries 1
es.ny dny
y component 6
Normal vector, Boundaries 1
es.nz 0
z component 6
Mesh normal
Boundaries 1
es.nmeshx dnxmesh vector, x
6
component
Mesh normal
Boundaries 1
es.nmeshy dnymesh vector, y
6
component
Mesh normal
Boundaries 1
es.nmeshz 0 vector, z
6
component
Maxwell
upward surface Boundaries 1
es.unTx es.unTex Pa
stress tensor, x 6
component
Maxwell
upward surface Boundaries 1
es.unTy es.unTey Pa
stress tensor, y 6
component
Maxwell
upward surface Boundaries 1
es.unTz es.unTez Pa
stress tensor, z 6
component
Maxwell
downward
Boundaries 1
es.dnTx es.dnTex Pa surface stress
6
tensor, x
component

10
Name Expression Unit Description Selection
Maxwell
downward
Boundaries 1
es.dnTy es.dnTey Pa surface stress
6
tensor, y
component
Maxwell
downward
Boundaries 1
es.dnTz es.dnTez Pa surface stress
6
tensor, z
component
Normal vector
Boundaries 1
es.unx unx up direction, x
6
component
Normal vector
Boundaries 1
es.uny uny up direction, y
6
component
Normal vector
Boundaries 1
es.unz 0 up direction, z
6
component
Normal vector
down Boundaries 1
es.dnx dnx
direction, x 6
component
Normal vector
down Boundaries 1
es.dny dny
direction, y 6
component
Normal vector
down Boundaries 1
es.dnz 0
direction, z 6
component
-
Maxwell
0.5*es.dnx*(real(up(es.Dx))*real(up(es.Ex))+r
upward electric
eal(up(es.Dy))*real(up(es.Ey))+real(up(es.Dz) Boundaries 1
es.unTex Pa surface stress
)*real(up(es.Ez)))+real(up(es.Dx))*(real(up(es. 6
tensor, x
Ex))*es.dnx+real(up(es.Ey))*es.dny+real(up(e
component
s.Ez))*es.dnz)
-
Maxwell
0.5*es.dny*(real(up(es.Dx))*real(up(es.Ex))+r
upward electric
eal(up(es.Dy))*real(up(es.Ey))+real(up(es.Dz) Boundaries 1
es.unTey Pa surface stress
)*real(up(es.Ez)))+real(up(es.Dy))*(real(up(es. 6
tensor, y
Ex))*es.dnx+real(up(es.Ey))*es.dny+real(up(e
component
s.Ez))*es.dnz)
es.unTez - Pa Maxwell Boundaries 1
11
Name Expression Unit Description Selection
0.5*es.dnz*(real(up(es.Dx))*real(up(es.Ex))+r upward electric 6
eal(up(es.Dy))*real(up(es.Ey))+real(up(es.Dz) surface stress
)*real(up(es.Ez)))+real(up(es.Dz))*(real(up(es. tensor, z
Ex))*es.dnx+real(up(es.Ey))*es.dny+real(up(e component
s.Ez))*es.dnz)
-
Maxwell
0.5*es.unx*(real(down(es.Dx))*real(down(es.
downward
Ex))+real(down(es.Dy))*real(down(es.Ey))+re Boundaries 1
es.dnTex Pa electric surface
al(down(es.Dz))*real(down(es.Ez)))+real(dow 6
stress tensor, x
n(es.Dx))*(real(down(es.Ex))*es.unx+real(do
component
wn(es.Ey))*es.uny+real(down(es.Ez))*es.unz)
-
Maxwell
0.5*es.uny*(real(down(es.Dx))*real(down(es.
downward
Ex))+real(down(es.Dy))*real(down(es.Ey))+re Boundaries 1
es.dnTey Pa electric surface
al(down(es.Dz))*real(down(es.Ez)))+real(dow 6
stress tensor, y
n(es.Dy))*(real(down(es.Ex))*es.unx+real(do
component
wn(es.Ey))*es.uny+real(down(es.Ez))*es.unz)
-
Maxwell
0.5*es.unz*(real(down(es.Dx))*real(down(es.
downward
Ex))+real(down(es.Dy))*real(down(es.Ey))+re Boundaries 1
es.dnTez Pa electric surface
al(down(es.Dz))*real(down(es.Ez)))+real(dow 6
stress tensor, z
n(es.Dz))*(real(down(es.Ex))*es.unx+real(do
component
wn(es.Ey))*es.uny+real(down(es.Ez))*es.unz)
Total electric
es.intWe es.int_We(es.d*es.dWe) J Global
energy
Reference
es.zref 50[ohm] Global
impedance

12
2.4.1 Charge Conservation 1

Charge Conservation 1

SELECTION
Geometric entity level Domain
Selection Domain 1

EQUATIONS

SETTINGS
Description Value
Constitutive relation Relative permittivity
Relative permittivity From material

PROPERTIES FROM MATERIAL

Property Material Property group
Relative permittivity Water Basic

Variables

Name Expression Unit Description Selection

Surface charge Boundaries 1
es.nD 0 C/m
density 6
Relative
es.epsilonrxx material.epsilonr11 1 permittivity, xx Domain 1
component
13
Name Expression Unit Description Selection
Relative
es.epsilonryx material.epsilonr21 1 permittivity, yx Domain 1
component
Relative
es.epsilonrzx material.epsilonr31 1 permittivity, zx Domain 1
component
Relative
es.epsilonrxy material.epsilonr12 1 permittivity, xy Domain 1
component
Relative
es.epsilonryy material.epsilonr22 1 permittivity, yy Domain 1
component
Relative
es.epsilonrzy material.epsilonr32 1 permittivity, zy Domain 1
component
Relative
es.epsilonrxz material.epsilonr13 1 permittivity, xz Domain 1
component
Relative
es.epsilonryz material.epsilonr23 1 permittivity, yz Domain 1
component
Relative
es.epsilonrzz material.epsilonr33 1 permittivity, zz Domain 1
component
epsilon0_const*es.Ixx*es.Ex+epsilon Electric
es.Dx 0_const*es.Ixy*es.Ey+epsilon0_const C/m displacement field, Domain 1
*es.Ixz*es.Ez+es.Px x component
epsilon0_const*es.Iyx*es.Ex+epsilon Electric
es.Dy 0_const*es.Iyy*es.Ey+epsilon0_cons C/m displacement field, Domain 1
t*es.Iyz*es.Ez+es.Py y component
epsilon0_const*es.Izx*es.Ex+epsilon Electric
es.Dz 0_const*es.Izy*es.Ey+epsilon0_const C/m displacement field, Domain 1
*es.Izz*es.Ez+es.Pz z component
epsilon0_const*(es.chixx*es.Ex+es.c Polarization, x
es.Px C/m Domain 1
hixy*es.Ey+es.chixz*es.Ez) component
epsilon0_const*(es.chiyx*es.Ex+es.c Polarization, y
es.Py C/m Domain 1
hiyy*es.Ey+es.chiyz*es.Ez) component
epsilon0_const*(es.chizx*es.Ex+es.c Polarization, z
es.Pz C/m Domain 1
hizy*es.Ey+es.chizz*es.Ez) component
Electric
sqrt(realdot(es.Dx,es.Dx)+realdot(es
es.normD C/m displacement field Domain 1
.Dy,es.Dy)+realdot(es.Dz,es.Dz))
norm

14
Name Expression Unit Description Selection
sqrt(realdot(es.Px,es.Px)+realdot(es.
es.normP C/m Polarization norm Domain 1
Py,es.Py)+realdot(es.Pz,es.Pz))
Electric
es.chixx -1+es.epsilonrxx 1 susceptibility, xx Domain 1
component
Electric
es.chiyx es.epsilonryx 1 susceptibility, yx Domain 1
component
Electric
es.chizx es.epsilonrzx 1 susceptibility, zx Domain 1
component
Electric
es.chixy es.epsilonrxy 1 susceptibility, xy Domain 1
component
Electric
es.chiyy -1+es.epsilonryy 1 susceptibility, yy Domain 1
component
Electric
es.chizy es.epsilonrzy 1 susceptibility, zy Domain 1
component
Electric
es.chixz es.epsilonrxz 1 susceptibility, xz Domain 1
component
Electric
es.chiyz es.epsilonryz 1 susceptibility, yz Domain 1
component
Electric
es.chizz -1+es.epsilonrzz 1 susceptibility, zz Domain 1
component
Spatial identity
es.Ixx es.I_sxx 1 matrix, xx Domain 1
component
Spatial identity
es.Iyx es.I_syx 1 matrix, yx Domain 1
component
Spatial identity
es.Izx es.I_szx 1 matrix, zx Domain 1
component
Spatial identity
es.Ixy es.I_sxy 1 matrix, xy Domain 1
component
Spatial identity
es.Iyy es.I_syy 1 Domain 1
matrix, yy
15
Name Expression Unit Description Selection
component
Spatial identity
es.Izy es.I_szy 1 matrix, zy Domain 1
component
Spatial identity
es.Ixz es.I_sxz 1 matrix, xz Domain 1
component
Spatial identity
es.Iyz es.I_syz 1 matrix, yz Domain 1
component
Spatial identity
es.Izz es.I_szz 1 matrix, zz Domain 1
component
Spatial identity
es.I_sxx 1 1 matrix, xx Domain 1
component
Spatial identity
es.I_syx 0 1 matrix, yx Domain 1
component
Spatial identity
es.I_szx 0 1 matrix, zx Domain 1
component
Spatial identity
es.I_sxy 0 1 matrix, xy Domain 1
component
Spatial identity
es.I_syy 1 1 matrix, yy Domain 1
component
Spatial identity
es.I_szy 0 1 matrix, zy Domain 1
component
Spatial identity
es.I_sxz 0 1 matrix, xz Domain 1
component
Spatial identity
es.I_syz 0 1 matrix, yz Domain 1
component
Spatial identity
es.I_szz 1 1 matrix, zz Domain 1
component
Electric field, x
es.Ex -Vx V/m Domain 1
component

16
 Name Expression Unit Description Selection
Electric field, y
es.Ey -Vy V/m Domain 1
component
Electric field, z
es.Ez 0 V/m Domain 1
component
Tangential electric Boundaries 1
es.tEx -VTx V/m
field, x component 6
Tangential electric Boundaries 1
es.tEy -VTy V/m
field, y component 6
Tangential electric Boundaries 1
es.tEz 0 V/m
field, z component 6
sqrt(realdot(es.Ex,es.Ex)+realdot(es.
es.normE V/m Electric field norm Domain 1
Ey,es.Ey)+realdot(es.Ez,es.Ez))
Current density, x
es.Jx es.Jdx A/m Domain 1
component
Current density, y
es.Jy es.Jdy A/m Domain 1
component
Current density, z
es.Jz es.Jdz A/m Domain 1
component
Displacement
es.Jdx 0 A/m current density, x Domain 1
component
Displacement
es.Jdy 0 A/m current density, y Domain 1
component
Displacement
es.Jdz 0 A/m current density, z Domain 1
component
sqrt(realdot(es.Jx,es.Jx)+realdot(es.J Current density
es.normJ A/m Domain 1
y,es.Jy)+realdot(es.Jz,es.Jz)) norm
es.W es.We J/m Energy density Domain 1
Integrand for total
es.dWe es.We J/m Domain 1
electric energy
0.5*epsilon0_const*((es.epsilonrxx*e
s.Ex+es.epsilonrxy*es.Ey+es.epsilonr
xz*es.Ez)*es.Ex+(es.epsilonryx*es.Ex
Electric energy
es.We +es.epsilonryy*es.Ey+es.epsilonryz* J/m Domain 1
density
es.Ez)*es.Ey+(es.epsilonrzx*es.Ex+es
.epsilonrzy*es.Ey+es.epsilonrzz*es.E
z)*es.Ez)

Shape functions

Name Shape function Unit Description Shape frame Selection

17
 Name Shape function Unit Description Shape frame Selection
V Lagrange (Quadratic) V Electric potential Material Domain 1

Weak expressions

Weak expression Integration order Integration frame Selection

-(es.Dx*test(Vx)+es.Dy*test(Vy))*es.d 4 Material Domain 1

2.4.2 Zero Charge 1

Zero Charge 1

SELECTION
Geometric entity level Boundary
Selection Boundaries 25

EQUATIONS

Variables

Name Expression Unit Description Selection

es.nD 0 C/m Surface charge density Boundaries 25

Shape functions

Name Shape function Unit Description Shape frame Selection

Lagrange
V V Electric potential Material No boundaries
(Quadratic)

18
2.4.3 Initial Values 1

Initial Values 1

SELECTION
Geometric entity level Domain
Selection Domain 1

SETTINGS
Description Value
Electric potential 0

19
2.4.4 Ground 1

Ground 1

SELECTION
Geometric entity level Boundary
Selection Boundary 1

EQUATIONS

SETTINGS
Description Value
Apply reaction terms on All physics (symmetric)
Use weak constraints Off
Constraint method Elemental

Variables

Name Expression Unit Description Selection

es.unx*(down(es.Dx)-
Surface charge
es.nD up(es.Dx))+es.uny*(down(es.Dy)- C/m Boundary 1
density
up(es.Dy))+es.unz*(down(es.Dz)-up(es.Dz))

Shape functions

Constraint Constraint force Shape function Selection

-V test(-V) Lagrange (Quadratic) Boundary 1

20
2.4.5 Electric Potential 1

Electric Potential 1

SELECTION
Geometric entity level Boundary
Selection Boundary 6

EQUATIONS

SETTINGS
Description Value
Electric potential V0
Apply reaction terms on All physics (symmetric)
Use weak constraints Off
Constraint method Elemental

Variables

Name Expression Unit Description Selection

es.unx*(down(es.Dx)-
Surface charge
es.nD up(es.Dx))+es.uny*(down(es.Dy)- C/m Boundary 6
density
up(es.Dy))+es.unz*(down(es.Dz)-up(es.Dz))
Electric
es.V0 V0 V Boundary 6
potential

21
Shape functions

Constraint Constraint force Shape function Selection

es.V0-V test(es.V0-V) Lagrange (Quadratic) Boundary 6

2.5 TRANSPORT OF DILUTED SPECIES

USED PRODUCTS
COMSOL Multiphysics
Batteries & Fuel Cells Module

Transport of Diluted Species

SELECTION
Geometric entity level Domain
Selection Domain 1

EQUATIONS

SETTINGS
Description Value
Concentration Linear
Compute boundary fluxes On
Apply smoothing to boundary fluxes On
Value type when using splitting of complex variables Real
Adsorption in porous media Off
22
Description Value
Dispersion in porous media Off
Volatilization in partially saturated porous media Off
Convection On
Migration in electric field On
Streamline diffusion On
Crosswind diffusion On
Equation residual Approximate residual
Crosswind diffusion type for free flow Do Carmo and Galeo
Isotropic diffusion Off
Convective term Non - conservative form

VARIABLES
Name Expression Unit Description Selection
tds.dflux_c1x+tds.mflux_c1 Domain flux, x
domflux.c1x mol/(ms) Domain 1
x component
tds.dflux_c1y+tds.mflux_c1 Domain flux, y
domflux.c1y mol/(ms) Domain 1
y component
tds.dflux_c2x+tds.mflux_c2 Domain flux, x
domflux.c2x mol/(ms) Domain 1
x component
tds.dflux_c2y+tds.mflux_c2 Domain flux, y
domflux.c2y mol/(ms) Domain 1
y component
tds.dflux_c3x+tds.mflux_c3 Domain flux, x
domflux.c3x mol/(ms) Domain 1
x component
tds.dflux_c3y+tds.mflux_c3 Domain flux, y
domflux.c3y mol/(ms) Domain 1
y component
tds.dflux_c4x+tds.mflux_c4 Domain flux, x
domflux.c4x mol/(ms) Domain 1
x component
tds.dflux_c4y+tds.mflux_c4 Domain flux, y
domflux.c4y mol/(ms) Domain 1
y component
tds.dflux_c5x+tds.mflux_c5 Domain flux, x
domflux.c5x mol/(ms) Domain 1
x component
tds.dflux_c5y+tds.mflux_c5 Domain flux, y
domflux.c5y mol/(ms) Domain 1
y component
tds.dflux_c6x+tds.mflux_c6 Domain flux, x
domflux.c6x mol/(ms) Domain 1
x component
tds.dflux_c6y+tds.mflux_c6 Domain flux, y
domflux.c6y mol/(ms) Domain 1
y component
tds.R_c1 0 mol/(ms) Total rate expression Domain 1
tds.R_c2 0 mol/(ms) Total rate expression Domain 1

23
Name Expression Unit Description Selection
tds.R_c3 0 mol/(ms) Total rate expression Domain 1
tds.R_c4 0 mol/(ms) Total rate expression Domain 1
tds.R_c5 0 mol/(ms) Total rate expression Domain 1
tds.R_c6 0 mol/(ms) Total rate expression Domain 1
tds.epsilon_p 1 1 Porosity Domain 1
tds.theta tds.epsilon_p 1 Liquid volume fraction Domain 1
tds.av 0 1 Gas volume fraction Domain 1
Normal vector, x Boundaries 1
tds.nx dnx 1
component 6
Normal vector, y Boundaries 1
tds.ny dny 1
component 6
Normal vector, z Boundaries 1
tds.nz 0 1
component 6
Normal vector (mesh), x Boundaries 1
tds.nxmesh dnxmesh 1
component 6
Normal vector (mesh), y Boundaries 1
tds.nymesh dnymesh 1
component 6
Normal vector (mesh), z Boundaries 1
tds.nzmesh 0 1
component 6
root.nxc/sqrt(root.nxc^2+r Normal vector, x Boundaries 1
tds.nxc 1
oot.nyc^2+eps) component 6
root.nyc/sqrt(root.nxc^2+r Normal vector, y Boundaries 1
tds.nyc 1
oot.nyc^2+eps) component 6
Normal vector, z Boundaries 1
tds.nzc 0 1
component 6
tds.dflux_c1x*tds.nxc+tds.
Boundaries 1
tds.ndflux_c1 dflux_c1y*tds.nyc+tds.dflu mol/(ms) Normal diffusive flux
6
x_c1z*tds.nzc
tds.dflux_c2x*tds.nxc+tds.
Boundaries 1
tds.ndflux_c2 dflux_c2y*tds.nyc+tds.dflu mol/(ms) Normal diffusive flux
6
x_c2z*tds.nzc
tds.dflux_c3x*tds.nxc+tds.
Boundaries 1
tds.ndflux_c3 dflux_c3y*tds.nyc+tds.dflu mol/(ms) Normal diffusive flux
6
x_c3z*tds.nzc
tds.dflux_c4x*tds.nxc+tds.
Boundaries 1
tds.ndflux_c4 dflux_c4y*tds.nyc+tds.dflu mol/(ms) Normal diffusive flux
6
x_c4z*tds.nzc
tds.dflux_c5x*tds.nxc+tds.
Boundaries 1
tds.ndflux_c5 dflux_c5y*tds.nyc+tds.dflu mol/(ms) Normal diffusive flux
6
x_c5z*tds.nzc

24
Name Expression Unit Description Selection
tds.dflux_c6x*tds.nxc+tds.
Boundaries 1
tds.ndflux_c6 dflux_c6y*tds.nyc+tds.dflu mol/(ms) Normal diffusive flux
6
x_c6z*tds.nzc
tds.cflux_c1x*tds.nxc+tds.c
Boundaries 1
tds.ncflux_c1 flux_c1y*tds.nyc+tds.cflux_ mol/(ms) Normal convective flux
6
c1z*tds.nzc
tds.cflux_c2x*tds.nxc+tds.c
Boundaries 1
tds.ncflux_c2 flux_c2y*tds.nyc+tds.cflux_ mol/(ms) Normal convective flux
6
c2z*tds.nzc
tds.cflux_c3x*tds.nxc+tds.c
Boundaries 1
tds.ncflux_c3 flux_c3y*tds.nyc+tds.cflux_ mol/(ms) Normal convective flux
6
c3z*tds.nzc
tds.cflux_c4x*tds.nxc+tds.c
Boundaries 1
tds.ncflux_c4 flux_c4y*tds.nyc+tds.cflux_ mol/(ms) Normal convective flux
6
c4z*tds.nzc
tds.cflux_c5x*tds.nxc+tds.c
Boundaries 1
tds.ncflux_c5 flux_c5y*tds.nyc+tds.cflux_ mol/(ms) Normal convective flux
6
c5z*tds.nzc
tds.cflux_c6x*tds.nxc+tds.c
Boundaries 1
tds.ncflux_c6 flux_c6y*tds.nyc+tds.cflux_ mol/(ms) Normal convective flux
6
c6z*tds.nzc
tds.mflux_c1x*tds.nxc+tds.
Normal electrophoretic Boundaries 1
tds.nmflux_c1 mflux_c1y*tds.nyc+tds.mfl mol/(ms)
flux 6
ux_c1z*tds.nzc
tds.mflux_c2x*tds.nxc+tds.
Normal electrophoretic Boundaries 1
tds.nmflux_c2 mflux_c2y*tds.nyc+tds.mfl mol/(ms)
flux 6
ux_c2z*tds.nzc
tds.mflux_c3x*tds.nxc+tds.
Normal electrophoretic Boundaries 1
tds.nmflux_c3 mflux_c3y*tds.nyc+tds.mfl mol/(ms)
flux 6
ux_c3z*tds.nzc
tds.mflux_c4x*tds.nxc+tds.
Normal electrophoretic Boundaries 1
tds.nmflux_c4 mflux_c4y*tds.nyc+tds.mfl mol/(ms)
flux 6
ux_c4z*tds.nzc
tds.mflux_c5x*tds.nxc+tds.
Normal electrophoretic Boundaries 1
tds.nmflux_c5 mflux_c5y*tds.nyc+tds.mfl mol/(ms)
flux 6
ux_c5z*tds.nzc
tds.mflux_c6x*tds.nxc+tds.
Normal electrophoretic Boundaries 1
tds.nmflux_c6 mflux_c6y*tds.nyc+tds.mfl mol/(ms)
flux 6
ux_c6z*tds.nzc
tds.bndFlux_c1+tds.cflux_c
1x*tds.nxc+tds.cflux_c1y*t Boundaries 1
tds.ntflux_c1 mol/(ms) Normal total flux
ds.nyc+tds.cflux_c1z*tds.n 6
zc
25
Name Expression Unit Description Selection
tds.bndFlux_c2+tds.cflux_c
2x*tds.nxc+tds.cflux_c2y*t Boundaries 1
tds.ntflux_c2 mol/(ms) Normal total flux
ds.nyc+tds.cflux_c2z*tds.n 6
zc
tds.bndFlux_c3+tds.cflux_c
3x*tds.nxc+tds.cflux_c3y*t Boundaries 1
tds.ntflux_c3 mol/(ms) Normal total flux
ds.nyc+tds.cflux_c3z*tds.n 6
zc
tds.bndFlux_c4+tds.cflux_c
4x*tds.nxc+tds.cflux_c4y*t Boundaries 1
tds.ntflux_c4 mol/(ms) Normal total flux
ds.nyc+tds.cflux_c4z*tds.n 6
zc
tds.bndFlux_c5+tds.cflux_c
5x*tds.nxc+tds.cflux_c5y*t Boundaries 1
tds.ntflux_c5 mol/(ms) Normal total flux
ds.nyc+tds.cflux_c5z*tds.n 6
zc
tds.bndFlux_c6+tds.cflux_c
6x*tds.nxc+tds.cflux_c6y*t Boundaries 1
tds.ntflux_c6 mol/(ms) Normal total flux
ds.nyc+tds.cflux_c6z*tds.n 6
zc
Boundaries 1
tds.bndFlux_c1 -dflux_spatial(c1) mol/(ms) Boundary flux
6
Boundaries 1
tds.bndFlux_c2 -dflux_spatial(c2) mol/(ms) Boundary flux
6
Boundaries 1
tds.bndFlux_c3 -dflux_spatial(c3) mol/(ms) Boundary flux
6
Boundaries 1
tds.bndFlux_c4 -dflux_spatial(c4) mol/(ms) Boundary flux
6
Boundaries 1
tds.bndFlux_c5 -dflux_spatial(c5) mol/(ms) Boundary flux
6
Boundaries 1
tds.bndFlux_c6 -dflux_spatial(c6) mol/(ms) Boundary flux
6

26
2.5.1 Transport Properties 1

Transport Properties 1

SELECTION
Geometric entity level Domain
Selection Domain 1

EQUATIONS

SETTINGS
Description Value
Velocity field Velocity field (spf)
Electric potential Electric potential (es)
Temperature User defined
Temperature 293.15[K]
Material None
Diffusion coefficient User defined
Diffusion coefficient {{D_p, 0, 0}, {0, D_p, 0}, {0, 0, D_p}}
Diffusion coefficient User defined
Diffusion coefficient {{D_p, 0, 0}, {0, D_p, 0}, {0, 0, D_p}}
Diffusion coefficient User defined
Diffusion coefficient {{D_p, 0, 0}, {0, D_p, 0}, {0, 0, D_p}}
Diffusion coefficient User defined

27
 Description Value
Diffusion coefficient {{D_p, 0, 0}, {0, D_p, 0}, {0, 0, D_p}}
Diffusion coefficient User defined
Diffusion coefficient {{D_p, 0, 0}, {0, D_p, 0}, {0, 0, D_p}}
Diffusion coefficient User defined
Diffusion coefficient {{D_p, 0, 0}, {0, D_p, 0}, {0, 0, D_p}}
{{{mob_p, 0, 0}, {0, mob_p, 0}, {0, 0, mob_p}}, {{mob_p, 0, 0}, {0, mob_p, 0},
{0, 0, mob_p}}, {{mob_p, 0, 0}, {0, mob_p, 0}, {0, 0, mob_p}}, {{mob_p, 0, 0},
Mobility
{0, mob_p, 0}, {0, 0, mob_p}}, {{mob_p, 0, 0}, {0, mob_p, 0}, {0, 0, mob_p}},
{{mob_p, 0, 0}, {0, mob_p, 0}, {0, 0, mob_p}}}
{step1(pH(x) - iep_1), step1(pH(x) - iep_2), step1(pH(x) - iep_3), step1(pH(x)
Charge number
- iep_4), step1(pH(x) - iep_5), step1(pH(x) - iep_6)}
Mobility User defined

Variables

Name Expression Unit Description Selection

Convective boundary Boundaries 1
tds.cbf_c1 0 mol/(ms)
flux 6
Convective boundary Boundaries 1
tds.cbf_c2 0 mol/(ms)
flux 6
Convective boundary Boundaries 1
tds.cbf_c3 0 mol/(ms)
flux 6
Convective boundary Boundaries 1
tds.cbf_c4 0 mol/(ms)
flux 6
Convective boundary Boundaries 1
tds.cbf_c5 0 mol/(ms)
flux 6
Convective boundary Boundaries 1
tds.cbf_c6 0 mol/(ms)
flux 6
Diffusion coefficient, xx
tds.D_c1xx D_p m/s Domain 1
component
Diffusion coefficient, yx
tds.D_c1yx 0 m/s Domain 1
component
Diffusion coefficient, zx
tds.D_c1zx 0 m/s Domain 1
component
Diffusion coefficient, xy
tds.D_c1xy 0 m/s Domain 1
component
Diffusion coefficient, yy
tds.D_c1yy D_p m/s Domain 1
component
Diffusion coefficient, zy
tds.D_c1zy 0 m/s Domain 1
component
tds.D_c1xz 0 m/s Diffusion coefficient, xz Domain 1

28
Name Expression Unit Description Selection
component
Diffusion coefficient, yz
tds.D_c1yz 0 m/s Domain 1
component
Diffusion coefficient, zz
tds.D_c1zz D_p m/s Domain 1
component
Diffusion coefficient, xx
tds.D_c2xx D_p m/s Domain 1
component
Diffusion coefficient, yx
tds.D_c2yx 0 m/s Domain 1
component
Diffusion coefficient, zx
tds.D_c2zx 0 m/s Domain 1
component
Diffusion coefficient, xy
tds.D_c2xy 0 m/s Domain 1
component
Diffusion coefficient, yy
tds.D_c2yy D_p m/s Domain 1
component
Diffusion coefficient, zy
tds.D_c2zy 0 m/s Domain 1
component
Diffusion coefficient, xz
tds.D_c2xz 0 m/s Domain 1
component
Diffusion coefficient, yz
tds.D_c2yz 0 m/s Domain 1
component
Diffusion coefficient, zz
tds.D_c2zz D_p m/s Domain 1
component
Diffusion coefficient, xx
tds.D_c3xx D_p m/s Domain 1
component
Diffusion coefficient, yx
tds.D_c3yx 0 m/s Domain 1
component
Diffusion coefficient, zx
tds.D_c3zx 0 m/s Domain 1
component
Diffusion coefficient, xy
tds.D_c3xy 0 m/s Domain 1
component
Diffusion coefficient, yy
tds.D_c3yy D_p m/s Domain 1
component
Diffusion coefficient, zy
tds.D_c3zy 0 m/s Domain 1
component
Diffusion coefficient, xz
tds.D_c3xz 0 m/s Domain 1
component
Diffusion coefficient, yz
tds.D_c3yz 0 m/s Domain 1
component
Diffusion coefficient, zz
tds.D_c3zz D_p m/s Domain 1
component
29
Name Expression Unit Description Selection
Diffusion coefficient, xx
tds.D_c4xx D_p m/s Domain 1
component
Diffusion coefficient, yx
tds.D_c4yx 0 m/s Domain 1
component
Diffusion coefficient, zx
tds.D_c4zx 0 m/s Domain 1
component
Diffusion coefficient, xy
tds.D_c4xy 0 m/s Domain 1
component
Diffusion coefficient, yy
tds.D_c4yy D_p m/s Domain 1
component
Diffusion coefficient, zy
tds.D_c4zy 0 m/s Domain 1
component
Diffusion coefficient, xz
tds.D_c4xz 0 m/s Domain 1
component
Diffusion coefficient, yz
tds.D_c4yz 0 m/s Domain 1
component
Diffusion coefficient, zz
tds.D_c4zz D_p m/s Domain 1
component
Diffusion coefficient, xx
tds.D_c5xx D_p m/s Domain 1
component
Diffusion coefficient, yx
tds.D_c5yx 0 m/s Domain 1
component
Diffusion coefficient, zx
tds.D_c5zx 0 m/s Domain 1
component
Diffusion coefficient, xy
tds.D_c5xy 0 m/s Domain 1
component
Diffusion coefficient, yy
tds.D_c5yy D_p m/s Domain 1
component
Diffusion coefficient, zy
tds.D_c5zy 0 m/s Domain 1
component
Diffusion coefficient, xz
tds.D_c5xz 0 m/s Domain 1
component
Diffusion coefficient, yz
tds.D_c5yz 0 m/s Domain 1
component
Diffusion coefficient, zz
tds.D_c5zz D_p m/s Domain 1
component
Diffusion coefficient, xx
tds.D_c6xx D_p m/s Domain 1
component
Diffusion coefficient, yx
tds.D_c6yx 0 m/s Domain 1
component

30
Name Expression Unit Description Selection
Diffusion coefficient, zx
tds.D_c6zx 0 m/s Domain 1
component
Diffusion coefficient, xy
tds.D_c6xy 0 m/s Domain 1
component
Diffusion coefficient, yy
tds.D_c6yy D_p m/s Domain 1
component
Diffusion coefficient, zy
tds.D_c6zy 0 m/s Domain 1
component
Diffusion coefficient, xz
tds.D_c6xz 0 m/s Domain 1
component
Diffusion coefficient, yz
tds.D_c6yz 0 m/s Domain 1
component
Diffusion coefficient, zz
tds.D_c6zz D_p m/s Domain 1
component
0.5*(tds.D_c1xx+tds.D_c1 Average diffusion
tds.Dav_c1 m/s Domain 1
yy) coefficient
0.5*(tds.D_c2xx+tds.D_c2 Average diffusion
tds.Dav_c2 m/s Domain 1
yy) coefficient
0.5*(tds.D_c3xx+tds.D_c3 Average diffusion
tds.Dav_c3 m/s Domain 1
yy) coefficient
0.5*(tds.D_c4xx+tds.D_c4 Average diffusion
tds.Dav_c4 m/s Domain 1
yy) coefficient
0.5*(tds.D_c5xx+tds.D_c5 Average diffusion
tds.Dav_c5 m/s Domain 1
yy) coefficient
0.5*(tds.D_c6xx+tds.D_c6 Average diffusion
tds.Dav_c6 m/s Domain 1
yy) coefficient
tds.dflux_c1x+tds.cflux_c1
tds.tflux_c1x mol/(ms) Total flux, x component Domain 1
x+tds.mflux_c1x
tds.dflux_c1y+tds.cflux_c1
tds.tflux_c1y mol/(ms) Total flux, y component Domain 1
y+tds.mflux_c1y
tds.dflux_c1z+tds.cflux_c1
tds.tflux_c1z mol/(ms) Total flux, z component Domain 1
z+tds.mflux_c1z
tds.dflux_c2x+tds.cflux_c2
tds.tflux_c2x mol/(ms) Total flux, x component Domain 1
x+tds.mflux_c2x
tds.dflux_c2y+tds.cflux_c2
tds.tflux_c2y mol/(ms) Total flux, y component Domain 1
y+tds.mflux_c2y
tds.dflux_c2z+tds.cflux_c2
tds.tflux_c2z mol/(ms) Total flux, z component Domain 1
z+tds.mflux_c2z
tds.dflux_c3x+tds.cflux_c3
tds.tflux_c3x mol/(ms) Total flux, x component Domain 1
x+tds.mflux_c3x

31
Name Expression Unit Description Selection
tds.dflux_c3y+tds.cflux_c3
tds.tflux_c3y mol/(ms) Total flux, y component Domain 1
y+tds.mflux_c3y
tds.dflux_c3z+tds.cflux_c3
tds.tflux_c3z mol/(ms) Total flux, z component Domain 1
z+tds.mflux_c3z
tds.dflux_c4x+tds.cflux_c4
tds.tflux_c4x mol/(ms) Total flux, x component Domain 1
x+tds.mflux_c4x
tds.dflux_c4y+tds.cflux_c4
tds.tflux_c4y mol/(ms) Total flux, y component Domain 1
y+tds.mflux_c4y
tds.dflux_c4z+tds.cflux_c4
tds.tflux_c4z mol/(ms) Total flux, z component Domain 1
z+tds.mflux_c4z
tds.dflux_c5x+tds.cflux_c5
tds.tflux_c5x mol/(ms) Total flux, x component Domain 1
x+tds.mflux_c5x
tds.dflux_c5y+tds.cflux_c5
tds.tflux_c5y mol/(ms) Total flux, y component Domain 1
y+tds.mflux_c5y
tds.dflux_c5z+tds.cflux_c5
tds.tflux_c5z mol/(ms) Total flux, z component Domain 1
z+tds.mflux_c5z
tds.dflux_c6x+tds.cflux_c6
tds.tflux_c6x mol/(ms) Total flux, x component Domain 1
x+tds.mflux_c6x
tds.dflux_c6y+tds.cflux_c6
tds.tflux_c6y mol/(ms) Total flux, y component Domain 1
y+tds.mflux_c6y
tds.dflux_c6z+tds.cflux_c6
tds.tflux_c6z mol/(ms) Total flux, z component Domain 1
z+tds.mflux_c6z
sqrt(tds.dflux_c1x^2+tds.
Diffusive flux
tds.dfluxMag_c1 dflux_c1y^2+tds.dflux_c1 mol/(ms) Domain 1
magnitude
z^2)
sqrt(tds.dflux_c2x^2+tds.
Diffusive flux
tds.dfluxMag_c2 dflux_c2y^2+tds.dflux_c2 mol/(ms) Domain 1
magnitude
z^2)
sqrt(tds.dflux_c3x^2+tds.
Diffusive flux
tds.dfluxMag_c3 dflux_c3y^2+tds.dflux_c3 mol/(ms) Domain 1
magnitude
z^2)
sqrt(tds.dflux_c4x^2+tds.
Diffusive flux
tds.dfluxMag_c4 dflux_c4y^2+tds.dflux_c4 mol/(ms) Domain 1
magnitude
z^2)
sqrt(tds.dflux_c5x^2+tds.
Diffusive flux
tds.dfluxMag_c5 dflux_c5y^2+tds.dflux_c5 mol/(ms) Domain 1
magnitude
z^2)
sqrt(tds.dflux_c6x^2+tds.
Diffusive flux
tds.dfluxMag_c6 dflux_c6y^2+tds.dflux_c6 mol/(ms) Domain 1
magnitude
z^2)
sqrt(tds.tflux_c1x^2+tds.t
tds.tfluxMag_c1 mol/(ms) Total flux magnitude Domain 1
flux_c1y^2+tds.tflux_c1z^
32
Name Expression Unit Description Selection
2)
sqrt(tds.tflux_c2x^2+tds.t
tds.tfluxMag_c2 flux_c2y^2+tds.tflux_c2z^ mol/(ms) Total flux magnitude Domain 1
2)
sqrt(tds.tflux_c3x^2+tds.t
tds.tfluxMag_c3 flux_c3y^2+tds.tflux_c3z^ mol/(ms) Total flux magnitude Domain 1
2)
sqrt(tds.tflux_c4x^2+tds.t
tds.tfluxMag_c4 flux_c4y^2+tds.tflux_c4z^ mol/(ms) Total flux magnitude Domain 1
2)
sqrt(tds.tflux_c5x^2+tds.t
tds.tfluxMag_c5 flux_c5y^2+tds.tflux_c5z^ mol/(ms) Total flux magnitude Domain 1
2)
sqrt(tds.tflux_c6x^2+tds.t
tds.tfluxMag_c6 flux_c6y^2+tds.tflux_c6z^ mol/(ms) Total flux magnitude Domain 1
2)
tds.z_c1*F_const*c1*(-
Electrophoretic flux, x
tds.mflux_c1x tds.um_c1xx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c1xy*d(tds.V,y))
tds.z_c1*F_const*c1*(-
Electrophoretic flux, y
tds.mflux_c1y tds.um_c1yx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c1yy*d(tds.V,y))
tds.z_c1*F_const*c1*(-
Electrophoretic flux, z
tds.mflux_c1z tds.um_c1zx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c1zy*d(tds.V,y))
tds.z_c2*F_const*c2*(-
Electrophoretic flux, x
tds.mflux_c2x tds.um_c2xx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c2xy*d(tds.V,y))
tds.z_c2*F_const*c2*(-
Electrophoretic flux, y
tds.mflux_c2y tds.um_c2yx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c2yy*d(tds.V,y))
tds.z_c2*F_const*c2*(-
Electrophoretic flux, z
tds.mflux_c2z tds.um_c2zx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c2zy*d(tds.V,y))
tds.z_c3*F_const*c3*(-
Electrophoretic flux, x
tds.mflux_c3x tds.um_c3xx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c3xy*d(tds.V,y))
tds.z_c3*F_const*c3*(-
Electrophoretic flux, y
tds.mflux_c3y tds.um_c3yx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c3yy*d(tds.V,y))
tds.z_c3*F_const*c3*(-
Electrophoretic flux, z
tds.mflux_c3z tds.um_c3zx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c3zy*d(tds.V,y))
33
Name Expression Unit Description Selection
tds.z_c4*F_const*c4*(-
Electrophoretic flux, x
tds.mflux_c4x tds.um_c4xx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c4xy*d(tds.V,y))
tds.z_c4*F_const*c4*(-
Electrophoretic flux, y
tds.mflux_c4y tds.um_c4yx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c4yy*d(tds.V,y))
tds.z_c4*F_const*c4*(-
Electrophoretic flux, z
tds.mflux_c4z tds.um_c4zx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c4zy*d(tds.V,y))
tds.z_c5*F_const*c5*(-
Electrophoretic flux, x
tds.mflux_c5x tds.um_c5xx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c5xy*d(tds.V,y))
tds.z_c5*F_const*c5*(-
Electrophoretic flux, y
tds.mflux_c5y tds.um_c5yx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c5yy*d(tds.V,y))
tds.z_c5*F_const*c5*(-
Electrophoretic flux, z
tds.mflux_c5z tds.um_c5zx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c5zy*d(tds.V,y))
tds.z_c6*F_const*c6*(-
Electrophoretic flux, x
tds.mflux_c6x tds.um_c6xx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c6xy*d(tds.V,y))
tds.z_c6*F_const*c6*(-
Electrophoretic flux, y
tds.mflux_c6y tds.um_c6yx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c6yy*d(tds.V,y))
tds.z_c6*F_const*c6*(-
Electrophoretic flux, z
tds.mflux_c6z tds.um_c6zx*d(tds.V,x)- mol/(ms) Domain 1
component
tds.um_c6zy*d(tds.V,y))
-tds.D_c1xx*c1x- Diffusive flux, x
tds.dflux_c1x mol/(ms) Domain 1
tds.D_c1xy*c1y component
-tds.D_c1yx*c1x- Diffusive flux, y
tds.dflux_c1y mol/(ms) Domain 1
tds.D_c1yy*c1y component
-tds.D_c1zx*c1x- Diffusive flux, z
tds.dflux_c1z mol/(ms) Domain 1
tds.D_c1zy*c1y component
-tds.D_c2xx*c2x- Diffusive flux, x
tds.dflux_c2x mol/(ms) Domain 1
tds.D_c2xy*c2y component
-tds.D_c2yx*c2x- Diffusive flux, y
tds.dflux_c2y mol/(ms) Domain 1
tds.D_c2yy*c2y component
-tds.D_c2zx*c2x- Diffusive flux, z
tds.dflux_c2z mol/(ms) Domain 1
tds.D_c2zy*c2y component
-tds.D_c3xx*c3x- Diffusive flux, x
tds.dflux_c3x mol/(ms) Domain 1
tds.D_c3xy*c3y component
tds.dflux_c3y -tds.D_c3yx*c3x- mol/(ms) Diffusive flux, y Domain 1
34
Name Expression Unit Description Selection
tds.D_c3yy*c3y component
-tds.D_c3zx*c3x- Diffusive flux, z
tds.dflux_c3z mol/(ms) Domain 1
tds.D_c3zy*c3y component
-tds.D_c4xx*c4x- Diffusive flux, x
tds.dflux_c4x mol/(ms) Domain 1
tds.D_c4xy*c4y component
-tds.D_c4yx*c4x- Diffusive flux, y
tds.dflux_c4y mol/(ms) Domain 1
tds.D_c4yy*c4y component
-tds.D_c4zx*c4x- Diffusive flux, z
tds.dflux_c4z mol/(ms) Domain 1
tds.D_c4zy*c4y component
-tds.D_c5xx*c5x- Diffusive flux, x
tds.dflux_c5x mol/(ms) Domain 1
tds.D_c5xy*c5y component
-tds.D_c5yx*c5x- Diffusive flux, y
tds.dflux_c5y mol/(ms) Domain 1
tds.D_c5yy*c5y component
-tds.D_c5zx*c5x- Diffusive flux, z
tds.dflux_c5z mol/(ms) Domain 1
tds.D_c5zy*c5y component
-tds.D_c6xx*c6x- Diffusive flux, x
tds.dflux_c6x mol/(ms) Domain 1
tds.D_c6xy*c6y component
-tds.D_c6yx*c6x- Diffusive flux, y
tds.dflux_c6y mol/(ms) Domain 1
tds.D_c6yy*c6y component
-tds.D_c6zx*c6x- Diffusive flux, z
tds.dflux_c6z mol/(ms) Domain 1
tds.D_c6zy*c6y component
Concentration gradient,
tds.grad_c1x c1x mol/m Domain 1
x component
Concentration gradient,
tds.grad_c1y c1y mol/m Domain 1
y component
Concentration gradient,
tds.grad_c1z 0 mol/m Domain 1
z component
Concentration gradient,
tds.grad_c2x c2x mol/m Domain 1
x component
Concentration gradient,
tds.grad_c2y c2y mol/m Domain 1
y component
Concentration gradient,
tds.grad_c2z 0 mol/m Domain 1
z component
Concentration gradient,
tds.grad_c3x c3x mol/m Domain 1
x component
Concentration gradient,
tds.grad_c3y c3y mol/m Domain 1
y component
Concentration gradient,
tds.grad_c3z 0 mol/m Domain 1
z component
Concentration gradient,
tds.grad_c4x c4x mol/m Domain 1
x component
35
Name Expression Unit Description Selection
Concentration gradient,
tds.grad_c4y c4y mol/m Domain 1
y component
Concentration gradient,
tds.grad_c4z 0 mol/m Domain 1
z component
Concentration gradient,
tds.grad_c5x c5x mol/m Domain 1
x component
Concentration gradient,
tds.grad_c5y c5y mol/m Domain 1
y component
Concentration gradient,
tds.grad_c5z 0 mol/m Domain 1
z component
Concentration gradient,
tds.grad_c6x c6x mol/m Domain 1
x component
Concentration gradient,
tds.grad_c6y c6y mol/m Domain 1
y component
Concentration gradient,
tds.grad_c6z 0 mol/m Domain 1
z component
Velocity field, x
tds.u model.input.u1 m/s Domain 1
component
Velocity field, y
tds.v model.input.u2 m/s Domain 1
component
Velocity field, z
tds.w model.input.u3 m/s Domain 1
component
Convective flux, x
tds.cflux_c1x c1*model.input.u1 mol/(ms) Domain 1
component
Convective flux, y
tds.cflux_c1y c1*model.input.u2 mol/(ms) Domain 1
component
Convective flux, z
tds.cflux_c1z c1*model.input.u3 mol/(ms) Domain 1
component
Convective flux, x
tds.cflux_c2x c2*model.input.u1 mol/(ms) Domain 1
component
Convective flux, y
tds.cflux_c2y c2*model.input.u2 mol/(ms) Domain 1
component
Convective flux, z
tds.cflux_c2z c2*model.input.u3 mol/(ms) Domain 1
component
Convective flux, x
tds.cflux_c3x c3*model.input.u1 mol/(ms) Domain 1
component
Convective flux, y
tds.cflux_c3y c3*model.input.u2 mol/(ms) Domain 1
component
Convective flux, z
tds.cflux_c3z c3*model.input.u3 mol/(ms) Domain 1
component

36
Name Expression Unit Description Selection
Convective flux, x
tds.cflux_c4x c4*model.input.u1 mol/(ms) Domain 1
component
Convective flux, y
tds.cflux_c4y c4*model.input.u2 mol/(ms) Domain 1
component
Convective flux, z
tds.cflux_c4z c4*model.input.u3 mol/(ms) Domain 1
component
Convective flux, x
tds.cflux_c5x c5*model.input.u1 mol/(ms) Domain 1
component
Convective flux, y
tds.cflux_c5y c5*model.input.u2 mol/(ms) Domain 1
component
Convective flux, z
tds.cflux_c5z c5*model.input.u3 mol/(ms) Domain 1
component
Convective flux, x
tds.cflux_c6x c6*model.input.u1 mol/(ms) Domain 1
component
Convective flux, y
tds.cflux_c6y c6*model.input.u2 mol/(ms) Domain 1
component
Convective flux, z
tds.cflux_c6z c6*model.input.u3 mol/(ms) Domain 1
component
sqrt(tds.cflux_c1x^2+tds.c
Convective flux
tds.cfluxMag_c1 flux_c1y^2+tds.cflux_c1z mol/(ms) Domain 1
magnitude
^2)
sqrt(tds.cflux_c2x^2+tds.c
Convective flux
tds.cfluxMag_c2 flux_c2y^2+tds.cflux_c2z mol/(ms) Domain 1
magnitude
^2)
sqrt(tds.cflux_c3x^2+tds.c
Convective flux
tds.cfluxMag_c3 flux_c3y^2+tds.cflux_c3z mol/(ms) Domain 1
magnitude
^2)
sqrt(tds.cflux_c4x^2+tds.c
Convective flux
tds.cfluxMag_c4 flux_c4y^2+tds.cflux_c4z mol/(ms) Domain 1
magnitude
^2)
sqrt(tds.cflux_c5x^2+tds.c
Convective flux
tds.cfluxMag_c5 flux_c5y^2+tds.cflux_c5z mol/(ms) Domain 1
magnitude
^2)
sqrt(tds.cflux_c6x^2+tds.c
Convective flux
tds.cfluxMag_c6 flux_c6y^2+tds.cflux_c6z mol/(ms) Domain 1
magnitude
^2)
tds.um_c1xx mob_p smol/kg Mobility, xx component Domain 1
tds.um_c1yx 0 smol/kg Mobility, yx component Domain 1
tds.um_c1zx 0 smol/kg Mobility, zx component Domain 1
tds.um_c1xy 0 smol/kg Mobility, xy component Domain 1
tds.um_c1yy mob_p smol/kg Mobility, yy component Domain 1
37
Name Expression Unit Description Selection
tds.um_c1zy 0 smol/kg Mobility, zy component Domain 1
tds.um_c1xz 0 smol/kg Mobility, xz component Domain 1
tds.um_c1yz 0 smol/kg Mobility, yz component Domain 1
tds.um_c1zz mob_p smol/kg Mobility, zz component Domain 1
tds.um_c2xx mob_p smol/kg Mobility, xx component Domain 1
tds.um_c2yx 0 smol/kg Mobility, yx component Domain 1
tds.um_c2zx 0 smol/kg Mobility, zx component Domain 1
tds.um_c2xy 0 smol/kg Mobility, xy component Domain 1
tds.um_c2yy mob_p smol/kg Mobility, yy component Domain 1
tds.um_c2zy 0 smol/kg Mobility, zy component Domain 1
tds.um_c2xz 0 smol/kg Mobility, xz component Domain 1
tds.um_c2yz 0 smol/kg Mobility, yz component Domain 1
tds.um_c2zz mob_p smol/kg Mobility, zz component Domain 1
tds.um_c3xx mob_p smol/kg Mobility, xx component Domain 1
tds.um_c3yx 0 smol/kg Mobility, yx component Domain 1
tds.um_c3zx 0 smol/kg Mobility, zx component Domain 1
tds.um_c3xy 0 smol/kg Mobility, xy component Domain 1
tds.um_c3yy mob_p smol/kg Mobility, yy component Domain 1
tds.um_c3zy 0 smol/kg Mobility, zy component Domain 1
tds.um_c3xz 0 smol/kg Mobility, xz component Domain 1
tds.um_c3yz 0 smol/kg Mobility, yz component Domain 1
tds.um_c3zz mob_p smol/kg Mobility, zz component Domain 1
tds.um_c4xx mob_p smol/kg Mobility, xx component Domain 1
tds.um_c4yx 0 smol/kg Mobility, yx component Domain 1
tds.um_c4zx 0 smol/kg Mobility, zx component Domain 1
tds.um_c4xy 0 smol/kg Mobility, xy component Domain 1
tds.um_c4yy mob_p smol/kg Mobility, yy component Domain 1
tds.um_c4zy 0 smol/kg Mobility, zy component Domain 1
tds.um_c4xz 0 smol/kg Mobility, xz component Domain 1
tds.um_c4yz 0 smol/kg Mobility, yz component Domain 1
tds.um_c4zz mob_p smol/kg Mobility, zz component Domain 1
tds.um_c5xx mob_p smol/kg Mobility, xx component Domain 1
tds.um_c5yx 0 smol/kg Mobility, yx component Domain 1
tds.um_c5zx 0 smol/kg Mobility, zx component Domain 1
tds.um_c5xy 0 smol/kg Mobility, xy component Domain 1

38
Name Expression Unit Description Selection
tds.um_c5yy mob_p smol/kg Mobility, yy component Domain 1
tds.um_c5zy 0 smol/kg Mobility, zy component Domain 1
tds.um_c5xz 0 smol/kg Mobility, xz component Domain 1
tds.um_c5yz 0 smol/kg Mobility, yz component Domain 1
tds.um_c5zz mob_p smol/kg Mobility, zz component Domain 1
tds.um_c6xx mob_p smol/kg Mobility, xx component Domain 1
tds.um_c6yx 0 smol/kg Mobility, yx component Domain 1
tds.um_c6zx 0 smol/kg Mobility, zx component Domain 1
tds.um_c6xy 0 smol/kg Mobility, xy component Domain 1
tds.um_c6yy mob_p smol/kg Mobility, yy component Domain 1
tds.um_c6zy 0 smol/kg Mobility, zy component Domain 1
tds.um_c6xz 0 smol/kg Mobility, xz component Domain 1
tds.um_c6yz 0 smol/kg Mobility, yz component Domain 1
tds.um_c6zz mob_p smol/kg Mobility, zz component Domain 1
tds.z_c1 step1(pH(x)-iep_1) 1 Charge number Domain 1
tds.z_c2 step1(pH(x)-iep_2) 1 Charge number Domain 1
tds.z_c3 step1(pH(x)-iep_3) 1 Charge number Domain 1
tds.z_c4 step1(pH(x)-iep_4) 1 Charge number Domain 1
tds.z_c5 step1(pH(x)-iep_5) 1 Charge number Domain 1
tds.z_c6 step1(pH(x)-iep_6) 1 Charge number Domain 1
tds.V model.input.V V Electric potential Domain 1
tds.helem h m Element size Domain 1
tds.glim_mass 0.1[mol/m^3]/tds.helem mol/m Lower gradient limit Domain 1
d(c1*tds.z_c1*F_const*(-
tds.um_c1xx*d(tds.V,x)-
tds.um_c1xy*d(tds.V,y)),x)
+d(c1*tds.z_c1*F_const*(-
tds.Res_c1 mol/(ms) Equation residual Domain 1
tds.um_c1yx*d(tds.V,x)-
tds.um_c1yy*d(tds.V,y)),y)
+tds.u*c1x+tds.v*c1y-
tds.R_c1
d(c2*tds.z_c2*F_const*(-
tds.um_c2xx*d(tds.V,x)-
tds.um_c2xy*d(tds.V,y)),x)
+d(c2*tds.z_c2*F_const*(-
tds.Res_c2 mol/(ms) Equation residual Domain 1
tds.um_c2yx*d(tds.V,x)-
tds.um_c2yy*d(tds.V,y)),y)
+tds.u*c2x+tds.v*c2y-
tds.R_c2

39
 Name Expression Unit Description Selection
d(c3*tds.z_c3*F_const*(-
tds.um_c3xx*d(tds.V,x)-
tds.um_c3xy*d(tds.V,y)),x)
+d(c3*tds.z_c3*F_const*(-
tds.Res_c3 mol/(ms) Equation residual Domain 1
tds.um_c3yx*d(tds.V,x)-
tds.um_c3yy*d(tds.V,y)),y)
+tds.u*c3x+tds.v*c3y-
tds.R_c3
d(c4*tds.z_c4*F_const*(-
tds.um_c4xx*d(tds.V,x)-
tds.um_c4xy*d(tds.V,y)),x)
+d(c4*tds.z_c4*F_const*(-
tds.Res_c4 mol/(ms) Equation residual Domain 1
tds.um_c4yx*d(tds.V,x)-
tds.um_c4yy*d(tds.V,y)),y)
+tds.u*c4x+tds.v*c4y-
tds.R_c4
d(c5*tds.z_c5*F_const*(-
tds.um_c5xx*d(tds.V,x)-
tds.um_c5xy*d(tds.V,y)),x)
+d(c5*tds.z_c5*F_const*(-
tds.Res_c5 mol/(ms) Equation residual Domain 1
tds.um_c5yx*d(tds.V,x)-
tds.um_c5yy*d(tds.V,y)),y)
+tds.u*c5x+tds.v*c5y-
tds.R_c5
d(c6*tds.z_c6*F_const*(-
tds.um_c6xx*d(tds.V,x)-
tds.um_c6xy*d(tds.V,y)),x)
+d(c6*tds.z_c6*F_const*(-
tds.Res_c6 mol/(ms) Equation residual Domain 1
tds.um_c6yx*d(tds.V,x)-
tds.um_c6yy*d(tds.V,y)),y)
+tds.u*c6x+tds.v*c6y-
tds.R_c6

Shape functions

Name Shape function Unit Description Shape frame Selection

c1 Lagrange (Linear) mol/m Concentration Material Domain 1
c2 Lagrange (Linear) mol/m Concentration Material Domain 1
c3 Lagrange (Linear) mol/m Concentration Material Domain 1
c4 Lagrange (Linear) mol/m Concentration Material Domain 1
c5 Lagrange (Linear) mol/m Concentration Material Domain 1
c6 Lagrange (Linear) mol/m Concentration Material Domain 1

40
2.5.2 No Flux 1

No Flux 1

SELECTION
Geometric entity level Boundary
Selection Boundaries 12, 56

EQUATIONS

Variables

Name Expression Unit Description Selection

c1*(tds.u*tds.nxmesh+tds.v*tds.ny Convective Boundaries 1
tds.cbf_c1 mol/(ms)
mesh+tds.w*tds.nzmesh) boundary flux 2, 56
c2*(tds.u*tds.nxmesh+tds.v*tds.ny Convective Boundaries 1
tds.cbf_c2 mol/(ms)
mesh+tds.w*tds.nzmesh) boundary flux 2, 56
c3*(tds.u*tds.nxmesh+tds.v*tds.ny Convective Boundaries 1
tds.cbf_c3 mol/(ms)
mesh+tds.w*tds.nzmesh) boundary flux 2, 56
c4*(tds.u*tds.nxmesh+tds.v*tds.ny Convective Boundaries 1
tds.cbf_c4 mol/(ms)
mesh+tds.w*tds.nzmesh) boundary flux 2, 56
c5*(tds.u*tds.nxmesh+tds.v*tds.ny Convective Boundaries 1
tds.cbf_c5 mol/(ms)
mesh+tds.w*tds.nzmesh) boundary flux 2, 56
c6*(tds.u*tds.nxmesh+tds.v*tds.ny Convective Boundaries 1
tds.cbf_c6 mol/(ms)
mesh+tds.w*tds.nzmesh) boundary flux 2, 56

41
2.5.3 Initial Values 1

Initial Values 1

SELECTION
Geometric entity level Domain
Selection Domain 1

SETTINGS
Description Value
Concentration {0, 0, 0, 0, 0, 0}

42
2.5.4 Concentration 1

Concentration 1

SELECTION
Geometric entity level Boundary
Name Protein sample inlet
Selection Boundary 4

EQUATIONS

SETTINGS
Description Value
Species c1 On
Species c2 On
Species c3 On
Species c4 On
Species c5 On
Species c6 On
Concentration {c_in, c_in, c_in, c_in, c_in, c_in}
Apply reaction terms on All physics (symmetric)
Use weak constraints Off
Constraint method Elemental

43
Variables

Name Expression Unit Description Selection

tds.c0_c1 c_in mol/m Concentration Boundary 4
tds.c0_c2 c_in mol/m Concentration Boundary 4
tds.c0_c3 c_in mol/m Concentration Boundary 4
tds.c0_c4 c_in mol/m Concentration Boundary 4
tds.c0_c5 c_in mol/m Concentration Boundary 4
tds.c0_c6 c_in mol/m Concentration Boundary 4

2.5.5 Outflow 1

Outflow 1

SELECTION
Geometric entity level Boundary
Name Outlet
Selection Boundary 3

EQUATIONS

Variables

Name Expression Unit Description Selection

tds.out1.int(c1*(tds.u*tds.nx+tds.v*tds.
tds.out1.c0_av
ny+tds.w*tds.nz))/tds.out1.int(tds.u*td mol/m Concentration Global
g_c1
s.nx+tds.v*tds.ny+tds.w*tds.nz)

44
 Name Expression Unit Description Selection
tds.out1.int(c2*(tds.u*tds.nx+tds.v*tds.
tds.out1.c0_av
ny+tds.w*tds.nz))/tds.out1.int(tds.u*td mol/m Concentration Global
g_c2
s.nx+tds.v*tds.ny+tds.w*tds.nz)
tds.out1.int(c3*(tds.u*tds.nx+tds.v*tds.
tds.out1.c0_av
ny+tds.w*tds.nz))/tds.out1.int(tds.u*td mol/m Concentration Global
g_c3
s.nx+tds.v*tds.ny+tds.w*tds.nz)
tds.out1.int(c4*(tds.u*tds.nx+tds.v*tds.
tds.out1.c0_av
ny+tds.w*tds.nz))/tds.out1.int(tds.u*td mol/m Concentration Global
g_c4
s.nx+tds.v*tds.ny+tds.w*tds.nz)
tds.out1.int(c5*(tds.u*tds.nx+tds.v*tds.
tds.out1.c0_av
ny+tds.w*tds.nz))/tds.out1.int(tds.u*td mol/m Concentration Global
g_c5
s.nx+tds.v*tds.ny+tds.w*tds.nz)
tds.out1.int(c6*(tds.u*tds.nx+tds.v*tds.
tds.out1.c0_av
ny+tds.w*tds.nz))/tds.out1.int(tds.u*td mol/m Concentration Global
g_c6
s.nx+tds.v*tds.ny+tds.w*tds.nz)

2.6 LAMINAR FLOW

USED PRODUCTS
COMSOL Multiphysics
Batteries & Fuel Cells Module

Laminar Flow

SELECTION
Geometric entity level Domain
Selection Domain 1

45
EQUATIONS

SETTINGS
Description Value
Discretization of fluids P1 + P1
Value type when using splitting of complex {Real, Real, Real, Real, Real, Real, Real, Real, Real,
variables Real, Real}
Compressibility Incompressible flow
Turbulence model type None
Enable porous media domains Off
Reference temperature 293.15[K]
Reference pressure level 1[atm]
Streamline diffusion On
Crosswind diffusion On
Isotropic diffusion Off
Use pseudo time stepping for stationary equation
Off
form

VARIABLES
Name Expression Unit Description Selection
spf.Tref 293.15[K] K Reference temperature Domain 1
spf.dz 1 m Thickness Domain 1
spf.pref 1[atm] Pa Reference pressure level Domain 1
spf.pA p+spf.pref Pa Absolute pressure Domain 1
spf.nx dnx 1 Normal vector, x component Boundaries 16
spf.ny dny 1 Normal vector, y component Boundaries 16
spf.nz 0 1 Normal vector, z component Boundaries 16
spf.nxmesh dnxmesh 1 Normal vector, x component Boundaries 16
spf.nymesh dnymesh 1 Normal vector, y component Boundaries 16
spf.nzmesh 0 1 Normal vector, z component Boundaries 16

46
2.6.1 Fluid Properties 1

Fluid Properties 1

SELECTION
Geometric entity level Domain
Selection Domain 1

EQUATIONS

SETTINGS
Description Value
Density From material
Dynamic viscosity From material

USED PRODUCTS
COMSOL Multiphysics

PROPERTIES FROM MATERIAL

Property Material Property group
Density Water Basic
Dynamic viscosity Water Basic

47
Variables

Name Expression Unit Description Selection

subst(material.rho,spf.fp1
spf.rho .minput_temperature,spf. kg/m Density Domain 1
Tref,spf.pA,spf.pref)
subst(material.mu,spf.fp1
spf.mu .minput_temperature,spf. Pas Dynamic viscosity Domain 1
Tref)
spf.epsilon_p 1 1 Porosity Domain 1
Divergence of velocity
spf.divu ux+vy 1/s Domain 1
field
subst(material.rho,spf.fp1
spf.rhoref .minput_temperature,spf. kg/m Reference density Domain 1
Tref,spf.pA,spf.pref)
sqrt(0.5*(4*ux^2+2*(uy+
spf.sr 1/s Shear rate Domain 1
vx)^2+4*vy^2)+eps)
Volume force, x
spf.Fx 0 N/m Domain 1
component
Volume force, y
spf.Fy 0 N/m Domain 1
component
Volume force, z
spf.Fz 0 N/m Domain 1
component
spf.U sqrt(u^2+v^2) m/s Velocity magnitude Domain 1
Vorticity field, x
spf.vorticityx 0 1/s Domain 1
component
Vorticity field, y
spf.vorticityy 0 1/s Domain 1
component
Vorticity field, z
spf.vorticityz vx-uy 1/s Domain 1
component
sqrt(spf.vorticityx^2+spf.
spf.vort_magn vorticityy^2+spf.vorticity 1/s Vorticity magnitude Domain 1
z^2)
0.25*spf.rho*sqrt(emetric
spf.cellRe 1 Cell Reynolds number Domain 1
(u,v)/emetric2)/spf.mu
spf.nu spf.mu/spf.rho m/s Kinematic viscosity Domain 1
Isothermal
spf.betaT 0 1/Pa compressibility Domain 1
coefficient
spf.helpCont -spf.rho*spf.divu kg/(ms) Help variable Domain 1
Gravity force, x
spf.Fgx 0 N/m Domain 1
component

48
Name Expression Unit Description Selection
Gravity force, y
spf.Fgy 0 N/m Domain 1
component
Gravity force, z
spf.Fgz 0 N/m Domain 1
component
spf.mu_eff spf.mu+spf.muT Pas Dynamic viscosity Domain 1
Turbulent dynamic
spf.muT 0 Pas Domain 1
viscosity
spf.K_stressx- Total stress, x Boundaries 1
spf.T_stressx N/m
p*spf.nxmesh component 6
spf.K_stressy- Total stress, y Boundaries 1
spf.T_stressy N/m
p*spf.nymesh component 6
spf.K_stressz- Total stress, z Boundaries 1
spf.T_stressz N/m
p*spf.nzmesh component 6
spf.mu_eff*(2*ux*spf.nxm Viscous stress, x Boundaries 1
spf.K_stressx N/m
esh+(uy+vx)*spf.nymesh) component 6
spf.mu_eff*((vx+uy)*spf.n Viscous stress, y Boundaries 1
spf.K_stressy N/m
xmesh+2*vy*spf.nymesh) component 6
Viscous stress, z Boundaries 1
spf.K_stressz 0 N/m
component 6
spf.K_stress_tensor Viscous stress tensor,
2*spf.mu_eff*ux N/m Domain 1
xx xx component
spf.K_stress_tensor Viscous stress tensor,
spf.mu_eff*(vx+uy) N/m Domain 1
yx yx component
spf.K_stress_tensor Viscous stress tensor,
0 N/m Domain 1
zx zx component
spf.K_stress_tensor Viscous stress tensor,
spf.mu_eff*(uy+vx) N/m Domain 1
xy xy component
spf.K_stress_tensor Viscous stress tensor,
2*spf.mu_eff*vy N/m Domain 1
yy yy component
spf.K_stress_tensor Viscous stress tensor,
0 N/m Domain 1
zy zy component
spf.K_stress_tensor Viscous stress tensor,
0 N/m Domain 1
xz xz component
spf.K_stress_tensor Viscous stress tensor,
0 N/m Domain 1
yz yz component
spf.K_stress_tensor Viscous stress tensor,
0 N/m Domain 1
zz zz component
spf.K_stress_tensor Viscous stress tensor
2*spf.mu_eff*test(ux) N/m Domain 1
_testxx test, xx component
spf.K_stress_tensor spf.mu_eff*(test(vx)+test( N/m Viscous stress tensor Domain 1

49
Name Expression Unit Description Selection
_testyx uy)) test, yx component
spf.K_stress_tensor Viscous stress tensor
0 N/m Domain 1
_testzx test, zx component
spf.K_stress_tensor spf.mu_eff*(test(uy)+test( Viscous stress tensor
N/m Domain 1
_testxy vx)) test, xy component
spf.K_stress_tensor Viscous stress tensor
2*spf.mu_eff*test(vy) N/m Domain 1
_testyy test, yy component
spf.K_stress_tensor Viscous stress tensor
0 N/m Domain 1
_testzy test, zy component
spf.K_stress_tensor Viscous stress tensor
0 N/m Domain 1
_testxz test, xz component
spf.K_stress_tensor Viscous stress tensor
0 N/m Domain 1
_testyz test, yz component
spf.K_stress_tensor Viscous stress tensor
0 N/m Domain 1
_testzz test, zz component
Upwind term, x
spf.upwind_helpx u m/s Domain 1
component
Upwind term, y
spf.upwind_helpy v m/s Domain 1
component
Upwind term, z
spf.upwind_helpz 0 m/s Domain 1
component
spf.phipf 0 1 Help variable Domain 1
Strain rate, xx
spf.tau_vdxx 2*spf.mu*ux Pa Domain 1
component
Strain rate, yx
spf.tau_vdyx spf.mu*(vx+uy) Pa Domain 1
component
Strain rate, zx
spf.tau_vdzx 0 Pa Domain 1
component
Strain rate, xy
spf.tau_vdxy spf.mu*(uy+vx) Pa Domain 1
component
Strain rate, yy
spf.tau_vdyy 2*spf.mu*vy Pa Domain 1
component
Strain rate, zy
spf.tau_vdzy 0 Pa Domain 1
component
Strain rate, xz
spf.tau_vdxz 0 Pa Domain 1
component
Strain rate, yz
spf.tau_vdyz 0 Pa Domain 1
component
Strain rate, zz
spf.tau_vdzz 0 Pa Domain 1
component

50
 Name Expression Unit Description Selection
spf.tau_vdxx*ux+spf.tau_
spf.Qvd vdxy*uy+spf.tau_vdyx*vx W/m Viscous dissipation Domain 1
+spf.tau_vdyy*vy
px+spf.rho*u*ux+spf.rho
*v*uy-
spf.res_u N/m Equation residual Domain 1
(d(2*ux,x)+d(uy+vx,y))*sp
f.mu-spf.Fx
spf.rho*u*vx+py+spf.rho
*v*vy-
spf.res_v N/m Equation residual Domain 1
(d(vx+uy,x)+d(2*vy,y))*sp
f.mu-spf.Fy
Pressure equation
spf.res_p spf.rho*spf.divu kg/(ms) Domain 1
residual

Shape functions

Name Shape function Unit Description Shape frame Selection

Velocity field, x
u Lagrange (Linear) m/s Material Domain 1
component
Velocity field, y
v Lagrange (Linear) m/s Material Domain 1
component
p Lagrange (Linear) Pa Pressure Material Domain 1

Weak expressions

Weak expression Integration order Integration frame Selection

spf.streamlinens 2 Material Domain 1
spf.crosswindns 2 Material Domain 1
(p-spf.K_stress_tensorxx)*test(ux)-
spf.K_stress_tensorxy*test(uy)-
2 Material Domain 1
spf.K_stress_tensoryx*test(vx)+(p-
spf.K_stress_tensoryy)*test(vy)
spf.Fx*test(u)+spf.Fy*test(v) 2 Material Domain 1
spf.rho*(-(d(u,x)*u+d(u,y)*v)*test(u)-
2 Material Domain 1
(d(v,x)*u+d(v,y)*v)*test(v))
-spf.rho*spf.divu*test(p) 2 Material Domain 1

51
2.6.2 Initial Values 1

Initial Values 1

SELECTION
Geometric entity level Domain
Selection Domain 1

SETTINGS
Description Value
Velocity field, x component 0
Velocity field, y component 0
Velocity field, z component 0
Pressure 0

USED PRODUCTS
COMSOL Multiphysics

Variables

Name Expression Unit Description Selection

spf.u_initx 0 m/s Velocity field, x component Domain 1
spf.u_inity 0 m/s Velocity field, y component Domain 1
spf.u_initz 0 m/s Velocity field, z component Domain 1
spf.p_init 0 Pa Pressure Domain 1

52
2.6.3 Wall 1

Wall 1

SELECTION
Geometric entity level Boundary
Selection Boundaries 1, 6

EQUATIONS

SETTINGS
Description Value
Boundary condition No slip
Apply reaction terms on Individual dependent variables
Use weak constraints Off
Constraint method Elemental

USED PRODUCTS
COMSOL Multiphysics

Variables

Name Expression Unit Description Selection

Velocity at boundary, x
spf.ubndx 0 m/s Boundaries 1, 6
component
Velocity at boundary, y
spf.ubndy 0 m/s Boundaries 1, 6
component

53
 Name Expression Unit Description Selection
Velocity at boundary, z
spf.ubndz 0 m/s Boundaries 1, 6
component

Shape functions

Constraint Constraint force Shape function Selection

-u+spf.ubndx test(-u) Lagrange (Linear) Boundaries 1, 6
-v+spf.ubndy test(-v) Lagrange (Linear) Boundaries 1, 6
spf.ubndz 0 Boundaries 1, 6

2.6.4 Inlet 1

Inlet 1

SELECTION
Geometric entity level Boundary
Name Carrier fluid inlet
Selection Boundaries 2, 45

EQUATIONS

SETTINGS
Description Value
Boundary condition Laminar inflow
Laminar inflow option Average velocity

54
 Description Value
Average velocity Uave
Entrance length 1
Constrain outer edges to zero Off
Use weak constraints Off
Constraint method Elemental

Variables

Name Expression Unit Description Selection

u*nojac(spf.nxmesh)+v*noja Intermediate Boundaries 2,
spf.un_here m/s
c(spf.nymesh) variable 45
u- Intermediate
Boundaries 2,
spf.ut_herex spf.un_here*nojac(spf.nxmes m/s variable, x
45
h) component
v- Intermediate
Boundaries 2,
spf.ut_herey spf.un_here*nojac(spf.nymes m/s variable, y
45
h) component
- Intermediate
Boundaries 2,
spf.ut_herez spf.un_here*nojac(spf.nzmes m/s variable, z
45
h) component
Intermediate Boundaries 2,
spf.un_there 0 m/s
variable 45
- Intermediate
Boundaries 2,
spf.ut_therex spf.un_there*nojac(spf.nxme m/s variable, x
45
sh) component
- Intermediate
Boundaries 2,
spf.ut_therey spf.un_there*nojac(spf.nyme m/s variable, y
45
sh) component
- Intermediate
Boundaries 2,
spf.ut_therez spf.un_there*nojac(spf.nzme m/s variable, z
45
sh) component
spf.K_stress_tensorxx*spf.nx
Average viscous
mesh+spf.K_stress_tensorxy* Boundaries 2,
spf.KStressn_avx N/m stress, x
spf.nymesh+spf.K_stress_ten 45
component
sorxz*spf.nzmesh
spf.K_stress_tensoryx*spf.nx
Average viscous
mesh+spf.K_stress_tensoryy* Boundaries 2,
spf.KStressn_avy N/m stress, y
spf.nymesh+spf.K_stress_ten 45
component
soryz*spf.nzmesh
spf.K_stress_tensorzx*spf.nx
Average viscous
mesh+spf.K_stress_tensorzy* Boundaries 2,
spf.KStressn_avz N/m stress, z
spf.nymesh+spf.K_stress_ten 45
component
sorzz*spf.nzmesh
55
Name Expression Unit Description Selection
spf.K_stress_tensor_testxx*sp
f.nxmesh+spf.K_stress_tenso Average viscous
Boundaries 2,
spf.KStressTestn_avx r_testxy*spf.nymesh+spf.K_st N/m stress, x
45
ress_tensor_testxz*spf.nzmes component
h
spf.K_stress_tensor_testyx*sp
f.nxmesh+spf.K_stress_tenso Average viscous
Boundaries 2,
spf.KStressTestn_avy r_testyy*spf.nymesh+spf.K_st N/m stress, y
45
ress_tensor_testyz*spf.nzmes component
h
spf.K_stress_tensor_testzx*sp
f.nxmesh+spf.K_stress_tenso Average viscous
Boundaries 2,
spf.KStressTestn_avz r_testzy*spf.nymesh+spf.K_st N/m stress, z
45
ress_tensor_testzz*spf.nzmes component
h
Velocity jump, x Boundaries 2,
spf.ujumpx spf.ut_herex-spf.ut_therex m/s
component 45
Velocity jump, y Boundaries 2,
spf.ujumpy spf.ut_herey-spf.ut_therey m/s
component 45
Velocity jump, z Boundaries 2,
spf.ujumpz spf.ut_herez-spf.ut_therez m/s
component 45
24*nojac((down(spf.mu)+spf.
Intermediate Boundaries 2,
spf.c_here muT)/spf.epsilon_p)*spf.mes 1
variable 45
hVol/spf.meshVolInt
Volume of
Boundaries 2,
spf.meshVolInt down(meshvol) m interior mesh
45
element
Boundaries 2,
spf.meshVol meshvol m
45
Boundaries 2,
spf.sigma_dg_ns 4*spf.c_here Pas/m
45
spf.inl1.Uav Uave m/s Average velocity Global
Boundaries 2,
spf.Lentr 1 m Entrance length
45
(test(u)*spf.nxmesh+test(v)*s Boundaries 2,
spf.unTestx m/s
pf.nymesh)*spf.nxmesh 45
(test(u)*spf.nxmesh+test(v)*s Boundaries 2,
spf.unTesty m/s
pf.nymesh)*spf.nymesh 45
(test(u)*spf.nxmesh+test(v)*s Boundaries 2,
spf.unTestz m/s
pf.nymesh)*spf.nzmesh 45
Boundaries 2,
spf.d 1 Length
45

56
 Name Expression Unit Description Selection
Boundary
spf.inl1.int((-spf.nx*u-
spf.inl1.Vinl kg/s integral of Global
spf.ny*v)*spf.d)
velocity
spf.inl1.Area spf.inl1.int(spf.d) m Boundary area Global

Shape functions

Name Shape function Unit Description Shape frame Selection

spf.inl1.Pinl ODE Pa Help ode variable Global

Weak expressions

Weak expression Integration order Integration frame Selection

((-
2*spf.mu*uTx+p)*dtang(spf.
unTestx,x)-
spf.mu*(uTy+vTx)*dtang(spf.
unTesty,x)-
spf.mu*(uTy+vTx)*dtang(spf. 2 Material Boundaries 2, 45
unTestx,y)+(-
2*spf.mu*vTy+p)*dtang(spf.
unTesty,y))*spf.Lentr-
(spf.nxmesh*test(u)+spf.nym
esh*test(v))*spf.inl1.Pinl
(spf.inl1.Vinl-
spf.inl1.Area*spf.inl1.Uav)*te 2 Global
st(spf.inl1.Pinl)
spf.KStressn_avx*test(spf.ut_
herex)+spf.KStressn_avy*test
(spf.ut_herey)+spf.KStressn_
avz*test(spf.ut_herez)+spf.K
StressTestn_avx*spf.ujumpx
+spf.KStressTestn_avy*spf.uj
umpy+spf.KStressTestn_avz*
2 Material Boundaries 2, 45
spf.ujumpz-
spf.sigma_dg_ns*spf.ujumpx
*test(spf.ut_herex)-
spf.sigma_dg_ns*spf.ujumpy
*test(spf.ut_herey)-
spf.sigma_dg_ns*spf.ujumpz
*test(spf.ut_herez)

57
2.6.5 Outlet 1

Outlet 1

SELECTION
Geometric entity level Boundary
Name Outlet
Selection Boundary 3

EQUATIONS

SETTINGS
Description Value
Boundary condition Pressure
Pressure 0
Normal flow On
Suppress backflow On
Use weak constraints Off
Apply reaction terms on All physics (symmetric)
Constraint method Elemental

USED PRODUCTS
COMSOL Multiphysics

58
Variables

Name Expression Unit Description Selection

u*nojac(spf.nxmesh)+v*n Intermediate
spf.un_here m/s Boundary 3
ojac(spf.nymesh) variable
u- Intermediate
spf.ut_herex spf.un_here*nojac(spf.nx m/s variable, x Boundary 3
mesh) component
v- Intermediate
spf.ut_herey spf.un_here*nojac(spf.ny m/s variable, y Boundary 3
mesh) component
- Intermediate
spf.ut_herez spf.un_here*nojac(spf.nz m/s variable, z Boundary 3
mesh) component
Intermediate
spf.un_there 0 m/s Boundary 3
variable
- Intermediate
spf.ut_therex spf.un_there*nojac(spf.nx m/s variable, x Boundary 3
mesh) component
- Intermediate
spf.ut_therey spf.un_there*nojac(spf.ny m/s variable, y Boundary 3
mesh) component
- Intermediate
spf.ut_therez spf.un_there*nojac(spf.nz m/s variable, z Boundary 3
mesh) component
spf.K_stress_tensorxx*spf.
nxmesh+spf.K_stress_ten Average viscous
spf.KStressn_avx sorxy*spf.nymesh+spf.K_ N/m stress, x Boundary 3
stress_tensorxz*spf.nzme component
sh
spf.K_stress_tensoryx*spf.
nxmesh+spf.K_stress_ten Average viscous
spf.KStressn_avy soryy*spf.nymesh+spf.K_ N/m stress, y Boundary 3
stress_tensoryz*spf.nzme component
sh
spf.K_stress_tensorzx*spf.
nxmesh+spf.K_stress_ten Average viscous
spf.KStressn_avz sorzy*spf.nymesh+spf.K_ N/m stress, z Boundary 3
stress_tensorzz*spf.nzme component
sh
spf.K_stress_tensor_testx
x*spf.nxmesh+spf.K_stres Average viscous
spf.KStressTestn_avx s_tensor_testxy*spf.nyme N/m stress, x Boundary 3
sh+spf.K_stress_tensor_te component
stxz*spf.nzmesh

59
Name Expression Unit Description Selection
spf.K_stress_tensor_testy
x*spf.nxmesh+spf.K_stres Average viscous
spf.KStressTestn_avy s_tensor_testyy*spf.nyme N/m stress, y Boundary 3
sh+spf.K_stress_tensor_te component
styz*spf.nzmesh
spf.K_stress_tensor_testzx
*spf.nxmesh+spf.K_stress Average viscous
spf.KStressTestn_avz _tensor_testzy*spf.nymes N/m stress, z Boundary 3
h+spf.K_stress_tensor_tes component
tzz*spf.nzmesh
spf.ut_herex- Velocity jump, x
spf.ujumpx m/s Boundary 3
spf.ut_therex component
spf.ut_herey- Velocity jump, y
spf.ujumpy m/s Boundary 3
spf.ut_therey component
spf.ut_herez- Velocity jump, z
spf.ujumpz m/s Boundary 3
spf.ut_therez component
Intermediate
spf.c_here 96/spf.epsilon_p 1 Boundary 3
variable
Volume of
spf.meshVolInt down(meshvol) m interior mesh Boundary 3
element
spf.meshVol meshvol m Boundary 3
spf.sigma_dg_ns 4*spf.ct_here Pas/m Boundary 3
spf.p0 0 Pa Pressure Boundary 3
spf.out1.Uav 0 m/s Average velocity Global
spf.isPressure 1 Help variable Boundary 3
24*nojac((down(spf.mu)
+spf.muT)/spf.epsilon_p) Intermediate
spf.ct_here Pas/m Boundary 3
*spf.meshVol/spf.meshV variable
olInt
spf.p0+spf.uNormal*(spf.
backflowPenaltyDiff-
spf.f0 N/m Normal stress Boundary 3
spf.backflowPenaltyConv
)*(spf.uNormal<0)
u*nojac(spf.nxmesh)+v*n
spf.uNormal m/s Normal velocity Boundary 3
ojac(spf.nymesh)
spf.c_here*min((down(spf Backflow
.mu)+spf.muT)*spf.mesh penalty
spf.backflowPenaltyDi
Vol/spf.meshVolInt,down kg/(ms) parameter, Boundary 3
ff
(spf.rho)*abs(spf.uNorma diffusive
l)/down(spf.epsilon_p)) contribution
spf.rhoFace down(spf.rho) kg/m Density face Boundary 3
60
 Name Expression Unit Description Selection
value
spf.upwind_helpx*spf.nx
mesh+spf.upwind_helpy* Relative velocity
spf.umxTnFace m/s Boundary 3
spf.nymesh+spf.upwind_ on face
helpz*spf.nzmesh
Backflow
penalty
spf.backflowPenaltyC spf.rhoFace*spf.umxTnFa
kg/(ms) parameter, Boundary 3
onv ce/spf.epsilon_p^2
convective
contribution
spf.backflowPenaltyConv
spf.upwind_ns Pa Upwind term Boundary 3
*spf.uNormal
spf.out1.intFlow(spf.rho*(
spf.out1.Mflow kg/s Mass flow Global
spf.nx*u+spf.ny*v))

Weak expressions

Weak expression Integration order Integration frame Selection

spf.KStressn_avx*test(spf.ut_herex)+s
pf.KStressn_avy*test(spf.ut_herey)+sp
f.KStressn_avz*test(spf.ut_herez)+spf.
KStressTestn_avx*spf.ujumpx+spf.KSt
ressTestn_avy*spf.ujumpy+spf.KStres
sTestn_avz*spf.ujumpz-
2 Material Boundary 3
spf.sigma_dg_ns*spf.ujumpx*test(spf.
ut_herex)-
spf.sigma_dg_ns*spf.ujumpy*test(spf.
ut_herey)-
spf.sigma_dg_ns*spf.ujumpz*test(spf.
ut_herez)
-
spf.f0*(test(u)*spf.nxmesh+test(v)*spf 2 Material Boundary 3
.nymesh)

61
2.7 MESHES

2.7.1 Mesh 1

Mesh 1

Size (size)

SETTINGS
Description Value
Maximum element size 0.1
Minimum element size 2.0E-4
Curvature factor 0.2
Predefined size Extremely fine

Free Triangular 1 (ftri1)

SELECTION
Geometric entity level Domain
Selection Remaining

62
 Free Triangular 1

Size 1 (size1)

SELECTION
Geometric entity level Point
Selection Points 34

Size 1

SETTINGS
Description Value
Maximum element size 0.01

63
 Description Value
Minimum element size 0.003
Minimum element size Off
Curvature factor 0.3
Curvature factor Off
Resolution of narrow regions Off
Maximum element growth rate 1.3
Maximum element growth rate Off
Custom element size Custom

2.7.2 Mesh 2

Mesh 2

64
3 Study 1
COMPUTATION INFORMATION
Computation time 18 min 22 s
CPU Intel(R) Core(TM) i7-4770 CPU @ 3.40GHz, 8 cores
Operating system Windows 7

3.1 STATIONARY
STUDY SETTINGS
Description Value
Include geometric nonlinearity Off

PHYSICS AND VARIABLES SELECTION

Physics interface Discretization
Electrostatics (es) physics
Laminar Flow (spf) physics

MESH SELECTION
Geometry Mesh
Geometry 1 (geom1) mesh1

3.2 STATIONARY 2
STUDY SETTINGS
Description Value
Include geometric nonlinearity Off

PHYSICS AND VARIABLES SELECTION

Physics interface Discretization
Transport of Diluted Species (tds) physics

MESH SELECTION
Geometry Mesh
Geometry 1 (geom1) mesh1

3.3 SOLVER CONFIGURATIONS

3.3.1 Solution 1

Compile Equations: Stationary (st1)

STUDY AND STEP

65
 Description Value
Use study Study 1
Use study step Stationary

Dependent Variables 1 (v1)

GENERAL
Description Value
Defined by study step Stationary

Concentration (comp1.c1) (comp1_c1)

GENERAL
Description Value
Field components comp1.c1
Solve for this field Off

Concentration (comp1.c2) (comp1_c2)

GENERAL
Description Value
Field components comp1.c2
Solve for this field Off

Concentration (comp1.c3) (comp1_c3)

GENERAL
Description Value
Field components comp1.c3
Solve for this field Off

Concentration (comp1.c4) (comp1_c4)

GENERAL
Description Value
Field components comp1.c4
Solve for this field Off

Concentration (comp1.c5) (comp1_c5)

GENERAL
Description Value
Field components comp1.c5
Solve for this field Off

66
Concentration (comp1.c6) (comp1_c6)

GENERAL
Description Value
Field components comp1.c6
Solve for this field Off

Pressure (comp1.p) (comp1_p)

GENERAL
Description Value
Field components comp1.p

Velocity field (comp1.u) (comp1_u)

GENERAL
Description Value
Field components {comp1.u, comp1.v}

Electric potential (comp1.V) (comp1_V)

GENERAL
Description Value
Field components comp1.V

Help ode variable (comp1.spf.inl1.Pinl) (comp1_spf_inl1_Pinl)

GENERAL
Description Value
State components comp1.spf.inl1.Pinl

Stationary Solver 1 (s1)

GENERAL
Description Value
Defined by study step Stationary

Fully Coupled 1 (fc1)

GENERAL
Description Value
Linear solver Direct 1

METHOD AND TERMINATION

Description Value
Initial damping factor 0.01

67
 Description Value
Minimum damping factor 1.0E-6
Maximum number of iterations 100

Solution Store 1 (su1)

GENERAL
Description Value
Solution Solution Store 1

Compile Equations: Stationary 2 (st2)

STUDY AND STEP

Description Value
Use study Study 1
Use study step Stationary 2

Dependent Variables 2 (v2)

GENERAL
Description Value
Defined by study step Stationary 2

INITIAL VALUES OF VARIABLES SOLVED FOR

Description Value
Method Solution
Solution Solution 1

VALUES OF VARIABLES NOT SOLVED FOR

Description Value
Method Solution
Solution Solution 1

Concentration (comp1.c1) (comp1_c1)

GENERAL
Description Value
Field components comp1.c1

Concentration (comp1.c2) (comp1_c2)

GENERAL
Description Value
Field components comp1.c2

68
Concentration (comp1.c3) (comp1_c3)

GENERAL
Description Value
Field components comp1.c3

Concentration (comp1.c4) (comp1_c4)

GENERAL
Description Value
Field components comp1.c4

Concentration (comp1.c5) (comp1_c5)

GENERAL
Description Value
Field components comp1.c5

Concentration (comp1.c6) (comp1_c6)

GENERAL
Description Value
Field components comp1.c6

Pressure (comp1.p) (comp1_p)

GENERAL
Description Value
Field components comp1.p
Solve for this field Off

Velocity field (comp1.u) (comp1_u)

GENERAL
Description Value
Field components {comp1.u, comp1.v}
Solve for this field Off

Electric potential (comp1.V) (comp1_V)

GENERAL
Description Value
Field components comp1.V
Solve for this field Off

69
Help ode variable (comp1.spf.inl1.Pinl) (comp1_spf_inl1_Pinl)

GENERAL
Description Value
State components comp1.spf.inl1.Pinl
Solve for this state Off

Stationary Solver 2 (s2)

GENERAL
Description Value
Defined by study step Stationary 2

RESULTS WHILE SOLVING

Description Value
Probes None

Adaptive Mesh Refinement (adDef)

GENERAL
Description Value
Adaptation in geometry Geometry 1

OUTPUT
Description Value
Solution Adaptive Mesh Refinement 1
Mesh Mesh 2

Fully Coupled 1 (fc1)

GENERAL
Description Value
Linear solver Direct 1

METHOD AND TERMINATION

Description Value
Initial damping factor 0.01
Minimum damping factor 1.0E-6
Maximum number of iterations 50

Direct 1 (d1)

GENERAL
Description Value

70
 Description Value
Solver PARDISO

3.3.2 Adaptive Mesh Refinement 1

71
4 Results

4.1 DATA SETS

4.1.1 Study 1/Solution 1

SOLUTION
Description Value
Solution Solution 1
Component Save Point Geometry 1

Data set: Study 1/Solution 1

4.1.2 Study 1/Solution Store 1

SOLUTION
Description Value
Solution Solution Store 1
Component Save Point Geometry 1

72
 Data set: Study 1/Solution Store 1

4.1.3 Study 1/Adaptive Mesh Refinement 1

SOLUTION
Description Value
Solution Adaptive Mesh Refinement 1
Component Save Point Geometry 1

Data set: Study 1/Adaptive Mesh Refinement 1

73
4.2 PLOT GROUPS

4.2.1 Electric Potential (es)

Surface: Electric potential (V) Arrow Surface: Electric field

4.2.2 Concentration (tds)

Surface: total protein concentration (mol/m3)

74
4.2.3 Velocity (spf)

Surface: Velocity magnitude (m/s)

4.2.4 Pressure (spf)

Contour: Pressure (Pa)

75
4.2.5 Concentration across outlet

Line Graph: total protein concentration (mol/m3)

76