MoDeNa
1.0
Software framework facilitating sequential multiscale modelling

Predicts the timevarying composition of blowing agents in PU foam and its thermal properties using the combination of nano, meso and macroscopic models. More...
Namespaces  
diffusivity.diffusivity  
Surrogate function and model definitions for diffusivity of blowing agents in polymer.  
gasConductivity.gasConductivity  
Surrogate function and model definitions for thermal conductivity of blowing agents.  
gasMixtureConductivity.gasMixtureConductivity  
Surrogate function and model definitions for thermal conductivity of mixture of blowing agents.  
polymerConductivity.polymerConductivity  
Surrogate function and model definitions for thermal conductivity of polyurethane.  
PolymerDensity_units.density_reaction_mixture  
Predicts the timevarying composition of blowing agents in PU foam and its thermal properties using the combination of nano, meso and macroscopic models.
inputs
folder. foamAging.json
controls aging simulation, whereas foamConductivity.json
controls foam conductivity simulation. init_foamConductivity.json
provides initial points for the initialization of foamConductivity.numerics
:timeStart
: starting time (s)timeEnd
: end time (s)numberOfOutputs
: how many times should the intermediate results be writtenwallDiscretization
: number of finite volumes in each wallcellDiscretization
: number of finite volumes in each cellsheetDiscretization
: number of finite volumes in sheet, if it is usedsourceOfProperty
: when "DirectInput" is used, the property must be given in this file. Otherwise, it will be loaded from the results of the specified given tool.foamDensity
: ["DirectInput","BubbleGrowth","Qmom0D","Qmom3D"]cellSize
: ["DirectInput","BubbleGrowth","Qmom0D","Qmom3D"]gasComposition
: ["DirectInput","BubbleGrowth","Qmom0D","Qmom3D"]strutContent
: ["DirectInput","StrutContent"]wallThickness
: ["DirectInput"]foamCondition
:foamHalfThickness
: half of foam thickness (m)inProtectiveSheet
: is foam enclosed in a sheet [true,false]sheetThickness
: thickness of the sheet, if it is used (m)agingTemperature
: temperature of aging (K)conductivityTemperature
: temperature of conductivity measurements (K)initialPressure
: initial pressure in foam (Pa)initialComposition
:O2
: molar fraction of oxygen in initial foamN2
: molar fraction of nitrogen in initial foamCO2
: molar fraction of CO2 in initial foamCyclopentane
: molar fraction of cyclopentane in initial foamboundaryPressure
:O2
: pressure of oxygen at the outer boundary (Pa)N2
: pressure of nitrogen at the outer boundary (Pa)CO2
: pressure of CO2 at the outer boundary (Pa)Cyclopentane
: pressure of cyclopentane at the outer boundary (Pa)morphology
:foamDensity
: foam density (kg/m3)cellSize
: cell size (m)strutContent
: strut contentwallThickness
: wall thickness (m)physicalProperties
:polymerDensity
: polymer density (kg/m3)foam
:solubilityModel
:O2
: solubility model ["constant","modena"]N2
: solubility model ["constant","modena"]CO2
: solubility model ["constant","modena"]Cyclopentane
: solubility model ["constant","modena"]solubility
:O2
: solubility of oxygen, if "constant" model is used (g/g/bar)N2
: solubility of nitrogen, if "constant" model is used (g/g/bar)CO2
: solubility of CO2, if "constant" model is used (g/g/bar)Cyclopentane
: solubility of cyclopentane, if "constant" model is used (g/g/bar)diffusivityModel
:O2
: diffusivity model ["constant","modena"]N2
: diffusivity model ["constant","modena"]CO2
: diffusivity model ["constant","modena"]Cyclopentane
: diffusivity model ["constant","modena"]diffusivity
:O2
: diffusivity of oxygen, if "constant" model is used (m2/s)N2
: diffusivity of nitrogen, if "constant" model is used (m2/s)CO2
: diffusivity of CO2, if "constant" model is used (m2/s)Cyclopentane
: diffusivity of cyclopentane, if "constant" model is used (m2/s)sheet
:solubility
:O2
: solubility of oxygen, if "constant" model is used (g/g/bar)N2
: solubility of nitrogen, if "constant" model is used (g/g/bar)CO2
: solubility of CO2, if "constant" model is used (g/g/bar)Cyclopentane
: solubility of cyclopentane, if "constant" model is used (g/g/bar)diffusivity
:O2
: diffusivity of oxygen, if "constant" model is used (m2/s)N2
: diffusivity of nitrogen, if "constant" model is used (m2/s)CO2
: diffusivity of CO2, if "constant" model is used (m2/s)Cyclopentane
: diffusivity of cyclopentane, if "constant" model is used (m2/s)upperBoundary
:emittance
: numer 01, 0.9 recommendedtemperature
: temperature (K)lowerBoundary
:emittance
: numer 01, 0.9 recommendedtemperature
: temperature (K)gasDensity
: gas density (kg/m3)solidDensity
: polymer density (kg/m3)sourceOfProperty
: when "DirectInput" is used, the property must be given in this file. Otherwise, it will be loaded from the results of the specified given tool.porosity
: ["DirectInput","BubbleGrowth","Qmom0D","Qmom3D"]cellSize
: ["DirectInput","BubbleGrowth","Qmom0D","Qmom3D"]gasComposition
: ["DirectInput","BubbleGrowth","Qmom0D","Qmom3D"]strutContent
: ["DirectInput","StrutContent"]wallThickness
: ["DirectInput"]gasComposition
:Cyclopentane
: molar fraction of cyclopentaneCO2
: molar fraction of CO2Air
: molar fraction of airuseWallThicknessDistribution
: [true,false]spatialDiscretization
: number of finite volumes for conductionradiation simulationwallThicknessStandardDeviation
: if wall thickness distribution is usedmorphologyInput
: 2 is recommended (strut content is specified, wall thickness and strut size is calculated)foamThickness
: foam thickness (m)porosity
: foam porositynumericalEffectiveConductivity
: [true,false]testMode
: [true,false]numberOfGrayBoxes
: 10 is recommendedstrutContent
: strut contentcellSize
: cell size (m)strutSize
: initial guess of strut sizewallThickness
: initial guess of wall thicknessT
: list of temperatures (K)dcell
: list of cell sizes (m)eps
: list of porositiesfstrut
: list of strut contentsx[CO2]
: list of CO2 molar fractionsx[CyP]
: list of cyclopentane molar fractionsx[N2]
: list of nitrogen molar fractionsx[O2]
: list of carbon dioxide molar fractions {HOME}/lib
and {HOME}/include
### Compile the detailed models
foamAging.json
for aging simulation and/or foamConductivity.json
for the prediction of heat insulation properties. Example input can be found in "examples" folder. The files must be located inside the inputs
folder. More information about the inputs is provided in INPUTS.md
.init_foamConductivity.json
. This file can be prepared using prep_init_foamConductivity.py
.foamConductivity
from the database. You should run initModels
again before you run the aging simulation../prep_init_foamConductivity.py 1
, which will prepare initial points for the initialization based on input file for the aging simulation. However, note that foamConductivity will be refitted several times during the simulation, because the gas composition will change and the surrogate model will get out of range. If you don't want any refitting during the simulation, then run ./prep_init_foamConductivity.py 2
, which will still use the foam morphology for the initialization of the foamConductivity, but also a whole range of possible gas compositions.results
folder. They can be visualized using python scripts and VEUSZ.