2011ANSYS,Inc.

June21,2013 1
PhaseChangeModeling
Vedanth Srinivasan
2011ANSYS,Inc. June21,2013 2
( )
( ) ( ) ( )
q q t q q q
n
p
q pq pq q q q q q q q q
q q q
m p
t
, vm , lif
1
F F F u R g u u
u
+ + o + + + V + o + V o = o V +
c
o c

MultifluidConservationEquations
Continuity:
Momentum for q
th
phase:
The inter-phase exchange forces are expressed as:
Energy equation for the q
th
phase can be similarly formulated.
( )
( )

=
= o V +
c
o c
n
p
pq q q q
q q
m
t
1
u
( )
q p pq pq
K u u R =
transient convection pressure shear
interphase
forces
exchange
interphase
mass
exchange
body external, lift, and
virtual mass forces
Volume fraction for the q
th
phase
Solids pressure term is
included for granular model.
PhaseChange!!
2011ANSYS,Inc. June21,2013 3
Solvesoneequationforcontinuityofmixture
Solvesoneequationforthemomentumofthemixture
Solvesforthetransportofvolumefractionofeachsecondaryphase
MixtureModelConservationEquations
( )
( ) ( ) | |
r
k
r
k k
n
k
k m
T
m m m m m
m
u u F g u u p u u
t
u

o V + + + V + V V + V = V +
c
c

=1
eff
( ) 0 = V +
c
c
m m
m
u
t

) .( ) .( ) (
r
p p p m p p p p
u u
t

o o o V = V +
c
c
PhaseChangesourcesadded
+Sp
2011ANSYS,Inc. June21,2013 4
Interfacialmasstransfer
Masstransferrateperunitofvolume sourcetermsinphasemass
conservationequation
(

=
sec m
kg

3
12 i i
S A m

Mass flux vector,

kg/(m
2
sec)
Interfacial area
density, 1/m
Phase 1 Phase 2
Interface
12
S
Mass transfer
2011ANSYS,Inc. June21,2013 5
Masstransferdefinedthroughphaseinteractionpanel
MasstransfermodelsavailablewithmixtureandEulermodels
Cavitation
Evaporationcondensationmodel
Userdefinedmasstransfer
Boiling
Masstransferduetoheterogeneous
reactions
Nucleationandgrowthinpopulationbalancemodels
Mass transfer
2011ANSYS,Inc. June21,2013 6
CavitationModeling
WallBoilingModels
Evaporation/Condensation
WetSteam
Melting/Solidification
PhaseChangeModels
2011ANSYS,Inc. June21,2013 7
Latentheatisaccountedfor
whenmasstransferis
prescribedthroughstandard
means.
Latentheatiscalculatedfrom
standardstateenthalpyof
species/phaseparticipatingin
massexchange.
Materialtypemustbefluid
Beawareofvaluesof
standard
stateenthalpy only
enthalpy
differencematters.For
example,vaporenthalpy
mustbelargerthanliquid
enthalpy.
Mass transfer
2011ANSYS,Inc. June21,2013 8
CavitationModeling
2011ANSYS,Inc. June21,2013 9
Cavitationoccursinmanyengineeringdevices.
Aliquidatconstanttemperaturecanbesubjectedtoadecreasing
pressure,whichmayfallbelowthesaturatedvapourpressure
Theliquidalsocontainsnoncondensablegases(dissolvedoringested)
Hydrofoils,Propellers,Inducers,Nozzles,Biomedical,
Needforcavitationmodelswhichaccountfor
Nphaseflowswithmultiphase
speciestransport.
Effectsofslipvelocitiesbetween
theliquidandgasphases.
Thermaleffectsand
compressibilityofbothliquid
andgasphases.
CavitationModels
2011ANSYS,Inc. June21,2013 10
PhysicalChallenges
PhaseChange(bubblegeneration&collapse)
Largedensityratioofliquidtovapor (e.g.water300K,theratiois4e+4)
Strongdependenceofgeometryandflowconditions
Incavitating zones,staticpressureremainsaconstant (=saturationpressure)
Turbulenceeffects
Thermalinfluence
Numericalchallenges:
Handlethelargeliquidtovapordensityratios
Dealwithcavitationmasstransferandpossiblyheattransfer
Phasictransitionswithinthedomain(vaporflooding,liquid/vaporregimes)
CavitationCharacteristics&Numerical
Challenges
2011ANSYS,Inc. June21,2013 11
Cavitationzonesareprevalentlynotedinfluidpumps,valves,sharp
edgedorifices,injectorsetc.
Cavitationisanundesirable(mostly)andcancause:
Significantdegradationinperformance,asmanifestedbyreducedmass
flowrates,lowerheadriseinpumps,loadasymmetry,vibrationand
noise.
Physicaldamagetoadevice(duetobubbleimpactonsurfaces
CavitationErosion)whichcanultimatelyaffectstructuralintegrity.
CavitationModeling
2011ANSYS,Inc. June21,2013 12
Estimationoftherateofvapourproductionisbasedontheasymptotic
growthrateofRayleighPlessetequation
Zwartetal.Model
Schnerr andSauerModel
SinghalModel(Mixturemodelonly)
TransportEquations
( )
c e v v
v
R R v
t
= V +
c
c
) ( o
o
InCavitation,theliquidvapor masstransfer(evaporationand
condensation)isgovernedbythevapor transportequation
Masstransferduetogrowthandcollapseofvaporbubbles
2011ANSYS,Inc. June21,2013 13
Singhals FullCavitationmodel
CavitationModelCapability
v
P P s
v
P P >
( )( )
( )
l
v
v l
g v
vap
P P
k
F Re

o
o o
3
2
0 . 1 , 1 max


=
( ) ( )
l
v
v l
v
cond
P P k
F Rc

o
o
3
2 , 1 max
=
( ) k P P
sat v
39 . 0
2
1
+ =
c e v v
v
R R V
t
= V +
c
c
) .(
) (

o
o
F
vap
=0.02,F
cond
=0.01
/solve/set/expertSinghal etal.module[No]Yes
Variableproperties
Turbulenceeffectsonsaturation
2011ANSYS,Inc. June21,2013 14
Zwarts &Schnerrs CavitationModel
VariablePsat
2011ANSYS,Inc. June21,2013 15
Zwarts andSchnerrs CavitationModels
Cavitation Models Vapor Volume Fraction Transport Equation
Zwart-Gerber-Belamri Model Schnerr-Sauer Model
c e v v
v
R R V
t
= V +
c
c
) .(
) (

o
o
l
v
B
v v nuc
vap e
P P
F R

o o ) (
3
2 ) 1 ( 3
9

=
v
P P s
l
v
B
v v
cond c
P P
F R

o ) (
3
2 3
9
=
v
P P >
01 . 0
50
10 5
10
4
6
=
=
=
= 9

cond
vap
nuc
B
F
F
m
o
l
v
B
l v
e
P P
R

o o

) (
3
2 3
) 1 (

9
=
v
P P s
v
P P >
l
v
B
l v
c
P P
R

o o

) (
3
2 3
) 1 (

9
=
13
10
1
4
3
1
=
|
|
.
|

\
|

= 9
q
q t o
o
B
)
3
4
1 /(
3
4
3 3
B B
9 + 9 = t t q o
2011ANSYS,Inc. June21,2013 16
Zwart orScnerr modelhighlyrecommendedduetoquickconvergence
behaviorandaccuracy
Ifnoncondensablegasespresent,onlySinghals modelcantakeitinto
account
SIMPLE/SIMPLEC/PISO&Coupledsolverscanbeusedwithanycavitation
models.
Forrotatingequipment,CoupledSolversarerecommended
PressureSchemes:PRESTO!(highlyrecommended),bodyforceweighted,
secondorder
GuidelinesforModelUsage
2011ANSYS,Inc. June21,2013 17
ForSchnerr andZwarts model
Keepunderrelaxationforvaporto0.5orhigher
KeepDensity/Vaporizationmassto1.0
Ifcoupledsolverisused,keepcourantnumberaround200(default),onlyfor
complicatedgeometry/cases,considerreducingittotherangeof20 50
ForSinghals model
momentumrelaxationfrom0.050.4
Pressurerelaxation:0.2 0.4
Vaporizationmass:0.1 1.0
Tips/Tricks
2011ANSYS,Inc. June21,2013 18
NoneofthecavitationmodelscanbeusedwiththeexplicitVOFoption
becausethesurfacetrackingschemesareincompatiblewiththe
interpenetratingcontinuaassumptionofthecavitationmodels.
Theycanonlybeusedforasinglecavitationprocess.
TheSinghaletal.modelrequirestheprimaryphasetobealiquidandthe
secondaryphasetobeavapour.
Singhals modelisonlycompatiblewiththemultiphasemixturemodel.
TheSinghaletal.modelisnotcompatiblewiththeLESturbulencemodel.
LimitationofCavitationModels
2011ANSYS,Inc. June21,2013 19
WallBoilingModels
2011ANSYS,Inc. June21,2013 20
Threeboilingmodelavailable:
RPIBoilingmodel
Applicabletosubcoolednucleateboiling
NonequilibriumBoiling
ExtensionofRPItotakecareofsaturatedboiling
CriticalHeatFlux
ExtensionofRPItotakecareofboilingcrisis
Contours of vapor volume fraction
in a nuclear fuel assembly
Boiling Model Options
2011ANSYS,Inc. June21,2013 21
BoilingModels
Boilingmodels:
RPIboilingmodel
Nonequilibriumboiling
CriticalHeatFlux
InterfacialAreaandBubbleDiameter
AlgebraicformulationsandUDFoptions
IACequationcompatiblewithboilingmodels
InterfacialTransfermodels
Arangeofsubmodelsfordragandlift,and
turbulentdispersion
Liquid/vaporinterfaceheatandmasstransfer
models
Flowregimetransitionsfrombubblytodroplets
Contours of vapor volume fraction
in a nuclear fuel assembly
Current ANSYS
Capabilities
Transitional
or Unstable
Film
boiling
Critical
Heat
Flux
Minimum
Heat Flux
Stable
H
e
a
t

F
l
u
x
Wall Superheat (T
wall
- T
sat
)
Subcoole
d
Nucleate
boiling
S
a
t
u
r
a
t
e
d
Single
Phase
3 . 0 s
V
o
2011ANSYS,Inc. June21,2013 22
RPIWallBoilingModel
T
w
T
bulk
T
sat
bw
d
Bubble nucleating site
Departing bubble
Heated wall
Thin superheated layer
Subcooled boilingoccurswhenwallandthinliquidboundarylayer
havetemperaturehigherthansaturationtemperatureatlocal
pressure,i.e.,Superheated
Ex:Heatexchangers,Heatedpipeflows,Coolingjackets,Quenchheat
treatment..
2011ANSYS,Inc. June21,2013 23
ThemodelwasdevelopedatRensselaerPolytechnicInstituteandiscalled
RPImodelforsubcooled boiling
ThemodelisimplementedwithinEulermodel
Itincludesatleasttwophases:liquid(primaryorcontinuousphase)
andvaporbubbles(secondaryordiscretephase)
TheRPIWallBoilingModelwasdevelopedduetothefailureofpurely
singlephaseconvectiveheattransferforwallboiling.
RPIaccountsforsteambubblegenerationaswellasquenchingeffects:
Nucleation,bubblegrowthanddeparturefromthewall
KeystepsintheRPImodel
Partitionthewallheatfluxintothreecomponents.
Closureofeachcomponentusingsubmodels
Canbeusedwithdifferentboundaryconditions.
RPI Wall Boiling Model
2011ANSYS,Inc. June21,2013 24
Activating/WorkingwithRPIBoilingModel
2011ANSYS,Inc. June21,2013 25
DecidewhichBoilingmodeltochoose
IfT
bulk
belowT
sat
Subcooled flow
UseRPIwallboilingmodel
IfT
bulk
closeto(within3K)T
sat
Saturatedflow
Usenonequilibriumwallboilingmodel
ForCriticalHeatFlux/Burnout/Departurefrom
NucleateBoiling(DNB)situation
Use criticalheatfluxmodel
CommonmistakesinBoilingModel
EnsuregravityisON toseeanyheattransfer
Ensuresurfacetensionisspecified
Neededfornucleationandgrowthofbubbles
Ensurecorrectphasesinmasstransfer
mechanism
BoilingModels Tips&Tricks
V
a
p
o
r

V
o
l
u
m
e

f
r
a
c
t
i
o
n
Vertical location
(m)
d
i
a
m
e
t
e
r

1
5
.
4

m
m

l
e
n
g
t
h

2
0
0
0
m
m
Subcooled
water
G
r
a
v
i
t
y
Bartolemei & Chanturiya Validation
2011ANSYS,Inc. June21,2013 26
Solutionstrategies
UselowerenergyURF(~0.6)
Y+forRPIcanbe>30(standardwallfn apply)
Youcanrunboilingcalculationinsteadystate
CangoforcoupledsolverwithratherlowerCourant
numberslike10orevenlessattimesorpseudo
transientsolver
Ifyoufaceproblemswithcoupledsolvers,lowerthe
explicitrelaxationfactorsforbothpressureand
momentumto0.75orevenupto 0.5.
Ifcoupledsolverdoesnotworkatall,goforSIMPLE.
Ifsteadycalculationiscausingissues,checkifthe
reverseflowiscausinganytrouble.
Ifyouaresurethatthereisnoreverseflowinthefinal
solution,specifyreverseflowquantitiessuchthatthey
helpconvergence.
BoilingModels Tips&Tricks
V
a
p
o
r

V
o
l
u
m
e

f
r
a
c
t
i
o
n
Vertical location
(m)
Bartolemei & Chanturiya Validation
2011ANSYS,Inc. June21,2013 27
Evaporation/Condensation
2011ANSYS,Inc. June21,2013 28
Evaporation/Condensation
Evaporation/Condensationisasurfacephenomenaunlike
boiling(volumetric)
Condensationisthetransformationofasubstancefromvapor
toliquidresultingfromenergyremovalfromthevaporphase.
Incondensationprocesses,thevaportemperatureisator
belowthesaturationtemperature.
Evaporationisthetransformationofasubstancefromliquid
tovaporresultingfromenergyaddition.
Condensationoccursinvariousmodes.
Dropletformationinvapor
Liquiddropletformationonacooledsurface
Liquidfilmcondensationonacooledsurface
2011ANSYS,Inc. June21,2013 29
Mechanisticmodelwithaphysicalbasis
Evaporation/CondensationModel
( )
l v v l v v
v
m m v
t

= V +
c
c

) ( o
o
T
l
>T
sat
( )
( )
sat
sat v
v v c l v
sat
sat l
l l c v l
T
T T
m
T
T T
m

o
o

T
v
<T
sat
|
|
.
|

\
|

=
g l
l
sat
c
L
RT
M
d

t
|
2
6
Coefficient istheinverseofrelaxationtimeofthephasechangeprocessgivenby
Accommodationcoefficient LatentHeat
) ( 1 . 0 Default
c
=

c
TunableCoefficientfor
evaporationandcondensation
separately
2011ANSYS,Inc. June21,2013 30
Evaporationcondensationmodel
Positivemasstransferrateisdefinedas
beingfromliquidtovapor.
Saturationtemperaturecanbeprovidedas
functionofpressure.
Ifsaturationtemperatureisafunctionof
othervariablesuchasvolumefraction,
pressureandothersolutions,aUser
DefinedFunctions(UDFs)maybe
necessarytodefinetheentirephase
changemechanism
Mass transfer
2011ANSYS,Inc. June21,2013 31
Masstransferfromliquidtovapor
SpecifyLatentHeatasStandardStateFormationEnthalpy
Standardstateenthalpyofvapor=latentheat(inj/kgmol units)
Standardstateenthalpyofliquid=0
Samemolecularweightforliquidandvapor
Referencetemperature=298.15K
Calculationstrategy
Usecoupledsolver withlowCourant
numbers
Lowertheexplicitrelaxationfactors
forpressureandmomentumto0.5
Ensurereverseflowvolumefraction
properlydefinedatoutletboundaries
EvaporationCondensation Tips&Tricks
2011ANSYS,Inc. June21,2013 32
Tuningevaporationandcondensationfrequency
Comparethenumericalresultswithexperimentalresults
Usesimplecalculationtoestimateevaporation
Evaporationexpected=(H
total
H
sensible
)/LatentHeat
Adjustevaporation/condensationfrequencies(0.001 100)
InEvaporationCondensationModel,departurefromsaturation
determinestherateofmasstransfer
(T
cell
T
sat
)isthedrivingforce
Formasstransfertohappen,T
cell
>or<T
sat
Increasingthesefrequencies
Predictthemixturetemperaturecloserto
saturationtemperature
EvaporationCondensation Tips&Tricks
2011ANSYS,Inc. June21,2013 33
Dropletformationandvaporization(inpipelines,mixingTs,Valves,
Pumpscompressingandexpandinggases)
Volatilephasebehavior(evaporation/condensationintanksstoring
volatilecompoundsthatchangephasebasedonstoragepressure)
ModelingFlashingbothusingCavitationmodel(Pdriven)andalsousing
Evaporation/Condensation(Tdriven,superheatedflows)
L.N.GFlashing
CryogenicLiquidFlashing
RefrigerantFlashing
FuelTankflashing
FlashTank
PhysicsModelingusing
Evaporation/Condensation
2011ANSYS,Inc. June21,2013 34
WetSteamModel
2011ANSYS,Inc. June21,2013 35
Duringtherapidexpansionofsteam,acondensationprocesswilltakeplace
shortlyafterthestatepathcrossesthevaporsaturationline.
Theexpansionprocesscausesthesuperheateddrysteamtofirstsubcooland
thennucleatetoformtwophasemixture
Theformationofliquiddropletsinahomogeneousnonequilibrium
condensationprocess,isbasedontheclassicalnonisothermalnucleation
theory.
Assumptions
Thevelocityslipbetweenthedropletsandgaseousphaseisnegligible.
Theinteractionsbetweendropletsareneglected.
Massfractionofthecondensedphaseissmall(<0.2),sothevolumeofthecondensedphase
isnegligible
WetSteamModel
2011ANSYS,Inc. June21,2013 36
Twoadditionaltransportequationsaresolvedfor
Massfractionofthecondensedliquidphase
Numberdensityofthedropletsperunitvolume.
Massgenerationrateisgivenbythesumofmassincreasedueto
nucleation(theformationofcriticallysizeddroplets)andalsodueto
growth/demiseofthesedroplets.
Nucleationrateisdescribedbythesteadystateclassicalhomogeneous
nucleationtheory andcorrectedfornonisothermaleffects.
WetSteamModel
2011ANSYS,Inc. June21,2013 37
WetSteamModel
( )
( )
( ) I v
t
v
t
v
q
q
|
|
|

= - V +
c
c
I = - V +
c
c

=

1
( )
( ) T T C
RT h
P
dt
dr
e
M
q
I
o p
l lv
T K
r
m l
v c b

+
=
|
|
.
|

\
|
+
=
|
|
.
|

\
|

t
t
o

u
o t
2
1
2
2
1
3
4
3
2
2
Nucleationrate
Dropletradius
(growthrate)
Mixturedensity
MassFractionTransport
NumberdensityTransport
Droplettemperature
NonEquilibriumCondensationProcess
LoadMaterialbyTextCommand:Define/models/multiphase/wetsteam/compileuserdefinedwetsteamfunctions
2011ANSYS,Inc. June21,2013 38
LimitationsofWetSteamModel
Restrictionsonthewetsteammodel
Thewetsteammodelisavailableforthedensitybasedsolversonly.
Pressureinlet,massflowinlet,andpressureoutletaretheonlyinflowand
outflowboundaryconditionsavailable.
Theaccesstomaterialpanelisrestrictedbecausethefluidmixture
propertiesaredeterminedfromthebuiltinsteampropertyfunctionoruser
definedwetsteampropertyfunction.
2011ANSYS,Inc. June21,2013 39
Adjusttemperaturelimits,minimumof273K
Makesuremaximumwetnessfactorisnotbeyond0.2sincethepresent
modelassumeslowwetnessfactor
Withwetnessfactor, >0.1,solutionbecomeslessstable
Forwetsteammodels,solveflowsolutioninitiallywithoutcondensation
andoncepropersolutionisachieved,switchoncondensation
SwitchingoffcondensationcanbedonebydeselectingWetsteam
equationsinthesolutioncontrolpanel
SolutionStrategiesforWetSteamModel
2011ANSYS,Inc. June21,2013 40
Melting/Solidification
2011ANSYS,Inc. June21,2013 41
SolidificationandMelting
Solidificationisthetransformationofasubstancefromliquidtosolid
Temperaturedecrease(morefrequentlyencountered)andchangeofstate
occursatthefreezingpoint
Pressureincrease(inthiscasetemperatureremainsconstant)
Thesolidificationprocessstartswithsmallsolidnucleationintheliquidthat
increasesinnumberwithtime(untilliquidiscompletelysolidified)
Application Casting,Crystallization..
Meltingisthetransformationofasubstancefromsolidtoliquid
Temperatureincreases,thechangeofstateoccursatthemeltingpoint
Ingeneral,themeltingpointisrelativelyinsensitivetopressure
Application Decrystallization inpipesunderlowtemperatures,Deicing
windshields..
Freezing&meltingpointareoftenequal(certainmaterialscanhavedifferent
values)
2011ANSYS,Inc. June21,2013 42
SolidificationandMelting
Define Models Solidification and Melting
Define Materials
2011ANSYS,Inc. June21,2013 43
Melting/SolidificationModeling
Procedure
Possibletomodelmeltingorsolidificationinasinglephaseorin
multiplephases
Forphasesthatarenotchangingphase,setLatentHeat,Liquidus andSolidus
TemperaturetoZero
ModelingThermal&Solutal Buoyancy
ThermalandSolutal Buoyancy
optionavailableonlywhensolving
thephasechangeproblemwith
SpeciesTransport
TUI
define/models/solidification-melting? yes
Include Thermal Buoyancy? yes
Include Solutal Buoyancy? yes
Use reference mass fraction of solutes? yes
Reference mass fraction of the species-i "value"
2011ANSYS,Inc. June21,2013 44
Recommendations
MushyZoneParameter:Valuerangesaround10
4
to10
7
.Highervalueswillassistin
bringingdownlocalcellvelocitytozeroasmaterialsolidifiesbutmaycause
oscillationsinsolutions.
Notnecessarytousepullvelocitywithinthesolution moreimportantwhen
modelingcontinuouscastingwherevelocityboundaryconditionsarespecified
Convergencedifficultiescanbeexpectedinsteadystatecalculations,continuous
castingsimulations,simulationsinvolvingmulticomponentsolidification,and
simulationswherealargevalueofthemushyzoneconstantisused.Inthatcase,
considerreducingliquidfractionupdateinthesolvercontrols
2011ANSYS,Inc. June21,2013 45
UserDefinedFunctions
DEFINE_CAVITATION_RATE(ModifyCavitationSourceterms)
DEFINE_BOILING_PROPERTY(Modifyparameterslikebubbledepature diameter,
frequencyofdeparture,nucleationsitedensity,areacoefficient&liquidref
temperature)
DEFINE_LINEARIZED_MASS_TRANSFER(Userdefinedmasstransfersourceterms)
DEFINE_SOLIDIFICATION_PARAMS(modifymushyzoneandbackdiffusionparameters)