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MoDeNa
1.0
Software framework facilitating sequential multi-scale modelling
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MoDeNa
1.0
Software framework facilitating sequential multi-scale modelling
|
namespace with global variables More...
Variables | |
| character(len=99) | fileplacein |
| location of input files | |
| character(len=99) | fileplaceout |
| location of output files | |
| character(len=99) | inputs |
| input file | |
| character(len=99) | outputs_1d |
| output file with scalar variables | |
| character(len=99) | outputs_gr |
| output file for the surrogate model fitting | |
| character(len=99) | outputs_c |
| output file with concentration profiles | |
| character(len=99) | outputs_kin |
| output file with variables of detailed kinetic model | |
| character(len=99) | outputs_drain |
| output file for the wall drainage | |
| character(len=99) | outputs_af |
| final foam properties for foam cond. and foam aging | |
| character(len=99) | geometry |
| geometry 3D=spherical, 2D=cylindrical | |
| logical | inertial_term |
| include inertial term in equations (t/f) | |
| logical | solcorr |
| use solubility correction on bubble radius (t/f) | |
| logical | surfactantpresent |
| surfactant is present - pcsaft caluclation (t/f) | |
| logical | gelpoint |
| gel point reached (t/f) | |
| logical | dilution |
| use dilution effect for kinetics (t/f) | |
| logical | shooting |
| am I using shooting method (t/f) | |
| integer | fi1 |
| integer | fi2 |
| integer | fi3 |
| integer | fi4 |
| integer | fi5 |
| file indices | |
| integer | integrator |
| integrator. 1=dlsode,2=dlsodes | |
| integer | int_meth |
| stiff or no? See MF for ODEPACK | |
| integer | p |
| number of internal nodes | |
| integer | maxts |
| maximum inner time steps between t and t+h More... | |
| integer | its |
| number of outer integration outer time steps More... | |
| integer | visc_model |
| viscosity model. 1=constant,2=Castro and Macosko,3=modena | |
| integer | rhop_model |
| polymer density model. 1=constant,2=modena | |
| integer | itens_model |
| interfacial tension model. 1=constant,2=modena | |
| integer | kin_model |
| reaction kinetics model. | |
| integer | ngas |
| number of dissolved gases | |
| integer | co2_pos |
| carbon dioxide position | |
| integer | fceq |
| first concentration equation (index) | |
| integer | fpeq |
| first pressure equation (index) | |
| integer | lpeq |
| last pressure equation (index) | |
| integer | req |
| radius equation (index) | |
| integer | teq |
| temperature equation (index) | |
| integer | xoheq |
| polyol conversion equation (index) | |
| integer | xweq |
| water conversion equation (index) | |
| real(dp) | mshco |
| mesh coarsening parameter | |
| real(dp) | temp0 |
| initial temperature | |
| real(dp) | r0 |
| initial radius | |
| real(dp) | nb0 |
| initial bubble number density | |
| real(dp) | sn |
| how many times is initial shell larger than initial bubble radius | |
| real(dp) | oh0 |
| initial concentration of polyol (don't set to zero) | |
| real(dp) | w0 |
| initial concentration of water (can be zero) | |
| real(dp) | nco0 |
| initial concentration of isocyanate | |
| real(dp) | catalyst |
| concentration of catalyst | |
| real(dp) | polyol1_ini |
| initial concentration of polyol 1 | |
| real(dp) | polyol2_ini |
| initial concentration of polyol 2 | |
| real(dp) | amine_ini |
| initial concentration of amine | |
| real(dp) | isocyanate1_ini |
| initial concentration of isocyanate 1 | |
| real(dp) | isocyanate2_ini |
| initial concentration of isocyanate 2 | |
| real(dp) | isocyanate3_ini |
| initial concentration of isocyanate 3 | |
| real(dp) | aoh |
| frequential factor of gelling reaction | |
| real(dp) | eoh |
| activation energy of gelling reaction | |
| real(dp) | aw |
| frequential factor of blowing reaction | |
| real(dp) | ew |
| activation energy of blowing reaction | |
| real(dp) | dhoh |
| gelling reaction enthalpy | |
| real(dp) | dhw |
| blowing reaction enthalpy | |
| real(dp) | time |
| time (s) | |
| real(dp) | radius |
| bubble radius (m) | |
| real(dp) | laplace_pres |
| Laplace pressure (Pa) | |
| real(dp) | eqconc |
| equivalent concentration for first gas | |
| real(dp), dimension(2) | grrate |
| growth rate | |
| real(dp) | st |
| shell thickness | |
| real(dp) | s0 |
| initial shell thickness | |
| real(dp) | rel_tol |
| relative tolerance | |
| real(dp) | abs_tol |
| absolute tolerance | |
| real(dp) | eta |
| viscosity | |
| real(dp) | pamb |
| ambient pressure (in the liquid) | |
| real(dp) | sigma |
| interfacial tension | |
| real(dp) | rhop |
| polymer density | |
| real(dp) | cp |
| heat capacity of the reaction mixture | |
| real(dp) | cppol |
| heat capacity of polymer | |
| real(dp) | rhobl |
| density of liquid physical blowing agent | |
| real(dp) | porosity |
| foam porosity | |
| real(dp) | rhofoam |
| foam density | |
| real(dp) | pair0 |
| initial partial pressure of air | |
| real(dp) | pair |
| partial pressure of air | |
| real(dp) | timestep |
| timestep More... | |
| real(dp) | goalradius |
| final radius we want to achieve | |
| real(dp), dimension(2) | nold |
| moles in bubble | |
| real(dp) | vsh |
| shell volume | |
| real(dp) | temp |
| temperature (K) More... | |
| real(dp) | conv |
| conversion of polyol | |
| real(dp) | gelpointconv |
| conversion of polyol at gel point | |
| real(dp) | rey |
| Reynolds number. | |
| real(dp) | pairst |
| non-dimensional air pressure | |
| real(dp) | pambst |
| non-dimensional ambient pressure | |
| real(dp) | ca |
| capillary number | |
| integer, dimension(:), allocatable | diff_model |
| diffusivity model 1=constant,2=modena | |
| integer, dimension(:), allocatable | sol_model |
| solubility model 1=constant,2=modena | |
| integer, dimension(:), allocatable | kineq |
| kinetics state variable equations (indexes) | |
| real(dp), dimension(:), allocatable | y |
| state variables | |
| real(dp), dimension(:), allocatable | cbl |
| concentration profile in reaction mixture | |
| real(dp), dimension(:), allocatable | xgas |
| initial molar fraction of gases in the bubble | |
| real(dp), dimension(:), allocatable | kinsource |
| kinetic source term | |
| real(dp), dimension(:), allocatable | d |
| diffusion coefficients (for each dissolved gas) | |
| real(dp), dimension(:), allocatable | d0 |
| initial diffusion coefficients used in non-dimensional routines | |
| real(dp), dimension(:), allocatable | kh |
| Henry constants (for each dissolved gas) | |
| real(dp), dimension(:), allocatable | mbl |
| blowing agent molar mass (for each dissolved gas) | |
| real(dp), dimension(:), allocatable | dhv |
| evaporation heat of blowing agent (for each gas) | |
| real(dp), dimension(:), allocatable | cpblg |
| heat capacity of blowing agent in gas phase (for each gas) | |
| real(dp), dimension(:), allocatable | cpbll |
| heat capacity of blowing agent in liquid phase (for each gas) | |
| real(dp), dimension(:), allocatable | mb |
| moles in polymer | |
| real(dp), dimension(:), allocatable | mb2 |
| moles in bubble | |
| real(dp), dimension(:), allocatable | mb3 |
| total moles | |
| real(dp), dimension(:), allocatable | avconc |
| average concentration in reaction mixture | |
| real(dp), dimension(:), allocatable | pressure |
| partial pressure(Pa) More... | |
| real(dp), dimension(:), allocatable | wblpol |
| weight fraction of blowing agents in reaction mixture | |
| real(dp), dimension(:), allocatable | dz |
| spatial discretization | |
| logical | sheet |
| determines if sheet is used on the outside of the foam | |
| integer | nroutputs |
| number of outer endme steps | |
| integer | divwall |
| number of grid points in wall | |
| integer | divcell |
| number of grid points in cell | |
| integer | divsheet |
| number of grid points in sheet | |
| integer | ncell |
| number of cells | |
| integer, dimension(:), allocatable | solmodel |
| solubility model | |
| integer, dimension(:), allocatable | diffmodel |
| diffusivity model | |
| real(dp) | tend |
| time at the beginning | |
| real(dp) | tbeg |
| time at the end | |
| real(dp) | dcell |
| cell size | |
| real(dp) | dwall |
| wall thickness | |
| real(dp) | dfoam |
| foam thickness | |
| real(dp) | dsheet |
| sheet thickness | |
| real(dp) | temp_cond |
| temperature of conductivity measurements | |
| real(dp) | fstrut |
| strut content | |
| real(dp) | rhof |
| foam density | |
| real(dp) | eps |
| foam porosity | |
| real(dp) | dgas |
| gas diffusivity in gasphase | |
| real(dp), dimension(:), allocatable | sg |
| gas solubility in polymer | |
| real(dp), dimension(:), allocatable | dg |
| gas diffusiviy in polymer | |
| real(dp), dimension(:), allocatable | sheetsg |
| gas solubility in sheet | |
| real(dp), dimension(:), allocatable | sheetdg |
| gas diffusivity in sheet | |
| real(dp), dimension(:), allocatable | xg |
| molar fractions of gases | |
| real(dp), dimension(:), allocatable | pbg |
| boundary conditions | |
| bool | createNodes |
| create struts at cell vertices | |
| bool | createEdges |
| create struts at cell edges | |
| bool | openCell |
| make open cell foam | |
| bool | save_dat |
| save file in old dx style | |
| bool | save_vtk |
| save file in new paraview style | |
| double | dstrut |
| parameter influencing size of struts in cell vertices | |
| double | dedge |
| parameter influencing size of struts in cell edges | |
| double | strutPorosity |
| double | RANDOM |
| int | grid |
| int | nx |
| domain size in X | |
| int | ny |
| domain size in Y | |
| int | nz |
| domain size in Z | |
| int | sx |
| size of cells in X | |
| int | sy |
| size of cells in Y | |
| int | sz |
| size of cells in Z | |
| bool | save_voro_diag1 |
| gnuplot Voronoi diagram | |
| bool | save_voro_diag2 |
| alternative gnuplot Voronoi diagram | |
| bool | import_vtk |
| import morphology from vtk | |
| bool | progress_report |
| show detailed progress report | |
| character(len=1024) | viscositymodel |
| viscosity model (constant, fromFile) | |
| character(len=1024) | growthratemodel |
| growth rate model (constantGrowth, fromFile) | |
| integer | meshpoints |
| number of discretization points in space | |
| integer | int_method |
| type of integration method (see MF in ODEPACK) | |
| real(dp) | strutfilmparameter |
| parameter determining strut-film boundary | |
| real(dp) | hi |
| film thickness at center | |
| real(dp) | rd |
| computational domain size (radius) | |
| real(dp) | rc |
| total window size (radius) | |
| real(dp) | rc0 |
| initial total window size (radius) | |
| real(dp) | dr |
| mesh points spacing | |
| real(dp) | mu |
| viscosity | |
| real(dp) | gam |
| surface tension | |
| real(dp) | dstr |
| where strut starts in initial domain | |
| real(dp) | ndp |
| disjoining pressure constant | |
| real(dp) | mdp |
| disjoining pressure constant | |
| real(dp) | cdp |
| disjoining pressure constant | |
| real(dp) | hdp |
| disjoining pressure constant | |
| real(dp) | bdp |
| disjoining pressure constant, set to zero for no DP | |
| real(dp) | gr |
| growth rate | |
| real(dp) | int_reltol |
| relative tolerance of integrator | |
| real(dp) | int_abstol |
| absolute tolerance of integrator | |
| real(dp) | initialtime |
| starting time | |
| real(dp) | ae_tol |
| tolerance of algebraic equation solver | |
namespace with global variables
| int globals::grid |
grid type for cell centers, 1=cubic grid, 2=hexagonal lattice, ABAB...,3=hexagonal lattice, ABCABC...
Definition at line 17 of file globals.cc.
Referenced by createSeeds(), and readParameters().
| integer globals::its |
number of outer integration outer time steps
outer time steps (how many times is output written)
Definition at line 29 of file globals.f90.
Referenced by integration::bblinteg(), integration::preprocess(), in_out::read_inputs(), in_out::save_integration_close(), model::set_initial_conditions(), and phys_prop::set_initial_physical_properties().
| integer globals::maxts |
maximum inner time steps between t and t+h
maximum inner time steps
Definition at line 29 of file globals.f90.
Referenced by integration::bblpreproc(), integration::preprocess(), and in_out::read_inputs().
| real(dp) globals::pressure |
partial pressure(Pa)
initial pressure
Definition at line 106 of file globals.f90.
Referenced by integration::bblinteg(), model::dim_var(), physicalproperties::gasdiffusivity(), inout::input(), integration::integrate(), model::molar_balance(), in_out::read_inputs(), in_out::save_integration_close(), and in_out::save_integration_step().
| double globals::RANDOM |
number between 0.0 and 1.0, how much are positions of cell centers perturbated from even position
Definition at line 15 of file globals.cc.
Referenced by createSeeds(), and readParameters().
| double globals::strutPorosity |
desired porosity of only struts
Definition at line 14 of file globals.cc.
Referenced by readParameters().
| real(dp) globals::temp |
temperature (K)
temperature of aging
Definition at line 49 of file globals.f90.
Referenced by integration::bblinteg(), integration::bblpreproc(), model::dim_var(), inout::input(), integration::integrate(), model::molar_balance(), model::odesystem(), inout::output(), inout::print_header(), in_out::save_integration_step(), and phys_prop::set_initial_physical_properties().
| real(dp) globals::timestep |
timestep
time step (how often are values written)
Definition at line 49 of file globals.f90.
Referenced by integration::bblinteg(), integration::bblpreproc(), integration::preprocess(), model::set_initial_conditions(), and phys_prop::set_initial_physical_properties().
1.8.13