08 MF E&p - Microfluidic Design and Analysis II CFD

Microfluidics 1: Effects & Phenomena
08 Design & Analysis

8.4 CFD Computational Fluid Dynamics 8.5.1 Applications of CFD in Microfluidics 8.5.2 CFD solves transport equations 8.5.3 Numerically solving the transport equations 8.5.4 Modelling a complex problem 8.5 CFD Resources at the IMTEK
www.imtek.de/anwendungen
MF Effects & Phenomena: 08 Design & Analysis / slide 1
Roland Zengerle / 11.07.2008
CFD is a Standard Tool in Microfludics

Wide range of applications
Dispensers Capillary priming Heat transfer Movement of gas bubbles Mixing

CFD is used to
prove of principle water removal in fuel cell (IMTEK Laboratory for MEMS Applications)
detailed insight into coriolis mixing (IMTEK Laboratory for MEMS Applications)
Prove the principal of new

systems
Detailed insight into fluidic

systems
Find optimized parameters for a

system
optimization of droplet ejected from a nozzle (IMTEK Laboratory for MEMS Applications)
CFD allows to find optimal parameters for a system

Example: optimize pressure pulses for the dispensing of different liquids
Varying interfacial tension Varying viscosity Varying density Varying nozzle geometry
droplet ejected from a Top Spot nozzle (IMTEK Laboratory for MEMS Applications)
20
Critical Pressure [kPa]
15 10 5 0
10
100
3
1000
Density [g/cm ] Surface Tension [mN/m] Dynamic Viscosity [mPas] Nozzle Diameter [m]
critical pressure for droplet ejection in dependence of material and nozzle parameter
www.imtek.de/anwendungen MF Effects & Phenomena: 08 Design & Analysis / slide 3 Roland Zengerle / 11.07.2008
CFD allows a detailed insight into fluidic systems

Example: Is coriolis force responsible for mixing on a rotating disk? Detailed insight by CFD made visible:
CoMix mixer CD (IMTEK Laboratory for MEMS Applications)
Liquid is transported outwards

by centrifugal force
liquid A movement
Coriolis force acts normal to flow

direction
Coriolis force and viscosity induce

complex flow pattern: mixing
liquid B coriolis force
centrifugal force
simulated coriolis flow on a rotating disk (IMTEK Laboratory for MEMSpplications)
CFD allows a detailed insight into fluidic systems

Coriolis force and viscosity induce complex flow pattern: mixing
Fluid is folded Fluid fluid interface increases Increase of fluid fluid interface leads to
an enhanced diffusive mixing
simulation of coriolis induced mixing pattern (IMTEK Laboratory for MEMS Applications)
CFD allows to prove of principal of new systems

Example: Can water be removed by capillary forces from the active area (MEA) of a fuel cell?
1mm
CFD simulation proved that it is possible to

lift water droplets from a MEA
Usage of contrast in wetting behaviour and

geometry
hydrophillic channel walls droplets lifted from the MEA in a fuel cell during operation
hydrophobic MEA/GDL CFD simulation of droplets lifted from a MEA by capillary forces (IMTEK Laboratory for MEMS Applications) realized test cell (IMTEK Laboratory for MEMS Applications)
8. Methods of Microfluidic Design and Analysis

CFD solves Transport Equations

Transport phenomena in micro fluidics
Mass Momentum Heat Dispersed particles Phase boundaries,
Transport systems are coupled by the interaction of forces
Generic Transport Equation (1)

Transport equations can be mapped to one generic transport equation Generic transport equation for any transport variable :
i t
temporal change
( v) i
(i )
diffusion (generic parameter )
qi
explicit sources
f ( j )
coupling to other field variables
convection transport with moving liquid
temporal change
source terms
Generic Transport Equation (2): Example 1

= velocities transport of momentum (Navier Stokes equations)
generic transport equation:
i + ( v) i = (i ) t
i = vector of momentum v
diffusion = viscosity =
qi
+ f ( j )
sources of moment = volume forces
pressure gradient = coupling term
v + (v ) v = 2 v
fvolume
Navier stokes Equation (->lecture fluid dynamics I)
Generic Transport Equation (3): Example 2

= concentration transport of concentration: 2nd Ficks Law
generic transport equation:
i t
i = concentration
( v) i
no convection
= (i ) + qi + f ( j )
diffusion: D=
no sources no couplings
c t
2c x 2
2nd Ficks law(-> lecture diffusion)

Overview of Transport Equations in Microfluidics

i + vi = (i ) + qi + f ( j ) t
= density conservation of mass
(continuity)
= impulses transport of momentum

(Navier Stokes equations)
= enthalpy (cpT) heat transport = concentration chemical reaction

systems
simulation of coriolis induced mixing pattern (IMTEK Laboratory for MEMS Applications)
= fluid fractions multiphase systems

(volume of fluid)
= particle distributions
External sources to the transport equations

i + vi = (i ) + qi + f ( j ) t
Example: apparent forces in a rotational framework, source of momentumother
liquid A movement
liquid B coriolis force
centrifugal force
Gravity on mass, source of momentum Heating from radiation, heat source
simulated coriolis flow on a rotating disk (IMTEK Laboratory for MEMS Applications)
Coupling terms between transport equations

i + vi = (i ) + qi + f ( j ) t
Any functions of other field variables j example: capillary pressure is momentum source as function of curvature of interface (distribution of phases) other:
water removal in fuel cell (IMTEK Laboratory for MEMS Applications)
chemical processes: coupling of educt

concentrations, temperature, pressure and generation of products and heat
friction generates heat as a function of velocity

What makes up the real strength of CFD?

Many different transport equations can be addressed in the same way
Map to the generic transport equation

Complex systems can be addressed by coupling of different transport equations Only one numerical scheme will be necessary to solve an arbitrary complex system of transport equations (-> next section)
CFD-codes CFD-codescan canbe beapplied appliedstraightforward straightforward to toa awide widerange rangeof of applications! applications!

All equations can be solved in the same way

map transport equations to generic equation
problem dependent
i + vi = (i ) + qi + f ( j ) t
discretize geometry discretization of generic equation
generic
matrix equations solve numerically
generic
Detailed view: Numerically solving the transport equations

Three iteration loops Solve field matrix for each variable
(iteratively): inner iteration
Coupling + solution: outer iteration Solve next time step

Convergence criteria
Breakdown criteria of iteration loops Strong criteria:

high quality of solution long calculation time
Weak criteria:
low quality short calculation time
solution Strategy of the CFX Solver (CFX Manual)
General workflow in CFD

preprocessing solving postprocessing
4 5 9 2 0 0 8 1 3 . . . . . . .
3 7 11 5 2 1 0 2 9
1 0 4 0 0 3 2 6 0
9 1 5 3 0 0 3 1 7
1 2 4 5 6 7 4 0 9
8 3 4 5 7 0 5 9 4 . . . . . . .
5 3 2 1 7 6 9 5 0
2 4 0 0 0 1 1 3 4
5 1 5 9 2 4 0 2 0
1 7 0 0 9 5 4 3 1
9 2 8 0 6 9 5 9 0 . . . . . . .
. .
. .
. .
. . . . .
problem definition user
algorithm solves equations developer & computer
interpretation & analysis user
Verification and Validation

Like any software a CFD model must be verified and validated (Def. IEEE 1012)
Verification
mathematical correctness of the model done by the developer user: are the error criterias in the verified
All CFD simulations are wrong! All CFD simulations are right!
A simulation is done by a model so it is a question of the proper interpretation and right usage wheter it is right or wrong!
range?
Validation
agreement of model results with experimental
results
done by the developer always only a few cases are tested and
documented
user: is the simulation in a validated
parameter range?

The passive DMFC

1) Tapered channel structure for
capillary induced fluid flow
2) Hydrophobic venting membrane 3) Bubble fence
9 7 2 1 5 1.2 mm
8 6
4) Membrane electrode
assembly, gas diffusion Layer
3 4
5) Cathode Flow Field

O2 supply by diffusion
6) Flexible tubing 7) Fuel reservoir 8) Flow Sensor 9) Camera

Different pumping modes

Depending on bubble size two pumping modes can be realized:
A Non-Blocking and B Blocking

Pump rate adjustable by
Geometry Wetting properties Gas flow rate
Modelling
Modeling and simulation is supposed to shed light on the influence of the gas venting and wetting phenomena on
The different pumping modes

Blocking and Non Blocking
Capillary induced fuel circulation

Requirements
Bubble generation Capillary transport Venting
Modelling
Standard models available in CFD-ACE+ for
Navier stokes finite volume grid Free surfaces

Volume of Fluid (VoF) Surface tension Continuum
Surface Force (CSF)
Challenge
VoF and CSF requires very small

time steps computationally very demanding
Multiscale problem
Nucleation of bubbles Triple line phenomena Venting process
Modelling approach
Coarse grid modelling
Capillary transport resolved by

finite volume computational grid
Additional models implemented as user-sub-routines
Bubble Generation Tripple line phenomena Bubble Venting
Bubble generation implemented as usersub-routine

Challenge
Small bubble and CSF unstable

capillary pressure
Approach
Domain is subdivided in control

volumes
Control volume contains gas

bubble growth continuously
Control volume contains no gas

CO2 accumulates virtually up to a
critical mass
Bubble growth with a dynamic
based on stability criteria

Subdomains for bubble generation
Dynamic contact angle implemented as user-sub-routine (1)

Contact Angle changes when contact line moves
Pinning / contact angle hysteresis

Contact line is pinned on rough
surfaces or chemical heterogeneities
ad
Bubble movement
rec
Dynamic contact angle

Contact angle changes continuously
with the velocity of moving contact lines
hysteresis advancing static receding
0
www.imtek.de/anwendungen MF Effects & Phenomena: 08 Design & Analysis / slide 28
Ca = v
Dynamic contact angle implemented as user-sub-routine (2)

Dynamic contact angle as user defined boundary condition
hysteresis advancing static receding
Challenge
Discontinuity at = 0 leads to
instability
For a non moving contact line, is
free between rec and ad
Approach
PI-Controller maintains Ca=0 in each
Ca = v
cell with hys as the maximum correction variable range
ad
rec
ad>rec
Venting implemented as user-sub-routine

Challenge
Resolution of a single pore of the

porous membrane to time consuming
Approach
Phase specific sink term as a

boundary condition derived from pressure-velocity characteristics of the membrane
Results (1)
Without Pinning Model With Pinning Model The presented model combination allows for
Stable long-term
simulations
side view
Studying bubble
configurations during the pump performance
top view
Results (2)
The presented model combination allows for
Studying the influence of pinning

on pump rates
Results (3)
Conclusion
Achievements
Modelling and simulation of

bubble generation capillary movement and membrane venting
Studying the influence of each

phenomena on the pump performance is now possible but
Challenges
Computationally demanding Presented simulations require

4-6 weeks on a single processor
Outlook
Requirements for quantitative parameter studies
Further reduction of the calculation

time more efficient model implementation
Parallelisation of User-SubRoutines

For Students: Cosmos Flow Works

Cosmos Flow Works included in Solidworks campus license
Available for every student inside the university At home by vpn License borrowing possible Laminar & turbulent flow Heat transfer Heat transfer in solids included Simple to use
For the researchers: ESI CFD-ACE+

Professional multipurpuse suite Strong in free surface modelling User friendly, systematic interfaces Educational and research licenses available at IMTEK
www.esi-group.com
For the enthusiastic

Open source CFD code OpenFOAM
www.opencfd.co.uk Linux platform only Definition of own transport equations Large suit of models
user interface
particles, hour glass
world wide wether
jet breakoff
Resources
CFD-Online: Sponsored information service for CFD-users http://www.cfd-online.com

http://www.cfd-online.com/Resources/homes.html#Company companies and suppliers http://www.cfd-online.com/Forum/ discussion and information forum http://www.cfd-online.com/Jobs/ jobs for CFD Engineers and Researchers http://www.software.aeat.com/cfx http://www.fluent.com http://www.flow-3D.com http://www.cfdrc.com ... http://www.memscap.com http://www.coventor.com ...
Hompages of commercial suppliers of software

Service providers for MEMS (not only CFD)


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Microfluidics 1: Effects & Phenomena

08 Design & Analysis

MF Effects & Phenomena: 08 Design & Analysis / slide 1

Roland Zengerle / 11.07.2008

CFD is a Standard Tool in Microfludics

Dispensers Capillary priming Heat transfer Movement of gas bubbles Mixing

Prove the principal of new

Detailed insight into fluidic

Find optimized parameters for a

MF Effects & Phenomena: 08 Design & Analysis / slide 2

Roland Zengerle / 11.07.2008

CFD allows to find optimal parameters for a system

Critical Pressure [kPa]

CFD allows a detailed insight into fluidic systems

CoMix mixer CD (IMTEK Laboratory for MEMS Applications)

Liquid is transported outwards

Coriolis force acts normal to flow

Coriolis force and viscosity induce

liquid B coriolis force

simulated coriolis flow on a rotating disk (IMTEK Laboratory for MEMSpplications)

MF Effects & Phenomena: 08 Design & Analysis / slide 4

Roland Zengerle / 11.07.2008

CFD allows a detailed insight into fluidic systems

CFD allows to prove of principal of new systems

CFD simulation proved that it is possible to

Usage of contrast in wetting behaviour and

MF Effects & Phenomena: 08 Design & Analysis / slide 6

Roland Zengerle / 11.07.2008

8. Methods of Microfluidic Design and Analysis

MF Effects & Phenomena: 08 Design & Analysis / slide 7

Roland Zengerle / 11.07.2008

CFD solves Transport Equations

Mass Momentum Heat Dispersed particles Phase boundaries,

Transport systems are coupled by the interaction of forces

MF Effects & Phenomena: 08 Design & Analysis / slide 8

Roland Zengerle / 11.07.2008

Generic Transport Equation (1)

convection transport with moving liquid

MF Effects & Phenomena: 08 Design & Analysis / slide 9

Roland Zengerle / 11.07.2008

Generic Transport Equation (2): Example 1

sources of moment = volume forces

pressure gradient = coupling term

Navier stokes Equation (->lecture fluid dynamics I)

MF Effects & Phenomena: 08 Design & Analysis / slide 10

Roland Zengerle / 11.07.2008

Generic Transport Equation (3): Example 2

2nd Ficks law(-> lecture diffusion)

Overview of Transport Equations in Microfluidics

= impulses transport of momentum

= enthalpy (cpT) heat transport = concentration chemical reaction

= fluid fractions multiphase systems

MF Effects & Phenomena: 08 Design & Analysis / slide 12

Roland Zengerle / 11.07.2008

External sources to the transport equations

liquid B coriolis force

Gravity on mass, source of momentum Heating from radiation, heat source

MF Effects & Phenomena: 08 Design & Analysis / slide 13

Roland Zengerle / 11.07.2008

Coupling terms between transport equations

water removal in fuel cell (IMTEK Laboratory for MEMS Applications)

chemical processes: coupling of educt

friction generates heat as a function of velocity