MoDeNa  1.0
Software framework facilitating sequential multi-scale modelling
KineticsFunctions.H File Reference

functions for kinetics calculations More...

Go to the source code of this file.

Functions

double LliqMax (double &)
 maximum allowable amount of liquid blowing agent (n-pentane) in liquid More...
 
double ddT_LliqMax (double &)
 derivative of LliqMax with respect to temperature More...
 
double arrhenius (double &, double &, double &)
 Arrhenius function. More...
 
double BAdilution (double &, double &, double &)
 dilution term for the blowing agent (n-pentane) More...
 
double QKinW (double &, double &, double &, double &, double &, double &, double &)
 
double henryCoefficient (double &T)
 Henry coefficient for CO2. More...
 
double bubbleRadius (const double m0, const double m1)
 
double partialPressureCO2 (double &M_CO2, double &M_B, double &surfaceTension, double &wCO2_g, double &wBA_g, double &p, double &R)
 partial pressure of CO2 More...
 
double partialPressureBA (double &M_B, double &M_CO2, double &surfaceTension, double &wBA_g_val, double &wCO2_g_val, double &prsr, double &bubble_radius)
 partial pressure of blowing agent More...
 
double wCO2Max (double &M_CO2, double &M_liq, double &pCO2, double &henryCoeff)
 dissolved amount of CO2 in liquid More...
 
double xBL (double &T, double &dxdT)
 mole fraction of blowing agent (R-11) in liquid polymer More...
 
double wBL_D (double &xBL, double &M_B, double &M_NCO, double &L0)
 weight fraction of maximum allowable blowing agent (R-11) in liquid More...
 
double LmaxR11 (double &tmptr)
 
double creamTemperature (double &xBL0, double &dxdT)
 criticall temperature that foaming process starts More...
 
double dTdtFirstOrder (double &Tc, double &To, double &timeStep)
 first order accurate dTdt More...
 
double dTdtSecondOrder (double &Tc, double &To, double &Too, double &timeStep)
 second order accurate dTdt More...
 
double thermalDiffusivityGas (double &T)
 thermal diffusivity of gas as a function of temperature More...
 
double nodeRadius (const double &v)
 
double QKinW (double &AW, double &EW, double &tempi, double &Lliq, double &rhoPoly, double &rhoBL)
 arrhenius term times by dilution term More...
 

Detailed Description

functions for kinetics calculations

Definition in file KineticsFunctions.H.

Function Documentation

◆ arrhenius()

double arrhenius ( double &  AOH,
double &  EOH,
double &  tempt 
)

Arrhenius function.

Parameters
AOHpre-exponential factor
EOHactivation energy
tempttemperature
Returns
arrhenius value

Definition at line 164 of file KineticsFunctions.H.

◆ BAdilution()

double BAdilution ( double &  L_l,
double &  rhoPoly,
double &  rhoBL 
)

dilution term for the blowing agent (n-pentane)

Parameters
L_lweight fraction of liquid blowing agent
rhoPolydensity of liquid mixture (polymer)
rhoBLdensity of blowing agent
Returns
dilution term

Definition at line 170 of file KineticsFunctions.H.

References QKinW().

◆ creamTemperature()

double creamTemperature ( double &  xBL0,
double &  dxdT 
)

criticall temperature that foaming process starts

Parameters
xBL0initial mole fraction of the blowing agent (R-11)
dxdTconstant
Returns
cream temperature

Definition at line 323 of file KineticsFunctions.H.

◆ ddT_LliqMax()

double ddT_LliqMax ( double &  tmptr)

derivative of LliqMax with respect to temperature

Parameters
tmptrinput temperature
Returns
value of derivative for input temperature

Definition at line 156 of file KineticsFunctions.H.

◆ dTdtFirstOrder()

double dTdtFirstOrder ( double &  Tc,
double &  To,
double &  timeStep 
)

first order accurate dTdt

Parameters
Tccurrent value of temperature
Toold value of temperature
timeSteptime step
Returns
first order derivative

Definition at line 328 of file KineticsFunctions.H.

◆ dTdtSecondOrder()

double dTdtSecondOrder ( double &  Tc,
double &  To,
double &  Too,
double &  timeStep 
)

second order accurate dTdt

Parameters
Tccurrent value of temperature
Toold value of temperature
Tooold-old value of temperature
timeSteptime step
Returns
second order derivative

Definition at line 332 of file KineticsFunctions.H.

◆ henryCoefficient()

double henryCoefficient ( double &  T)

Henry coefficient for CO2.

Parameters
Ttemperature
Returns
Henry coefficient

Definition at line 185 of file KineticsFunctions.H.

◆ LliqMax()

double LliqMax ( double &  tmptr)

maximum allowable amount of liquid blowing agent (n-pentane) in liquid

Parameters
tmptrinput temperature
Returns
equilibrium value of blowing agent in liquid

Definition at line 139 of file KineticsFunctions.H.

◆ partialPressureBA()

double partialPressureBA ( double &  M_B,
double &  M_CO2,
double &  surfaceTension,
double &  wBA_g_val,
double &  wCO2_g_val,
double &  prsr,
double &  bubble_radius 
)

partial pressure of blowing agent

Parameters
M_Bmolecular weight of blowing agent
M_CO2molecular weight of CO2
surfaceTensionsurface tension
wBA_gweight fraction of blowing agent in gas
wCO2_gweight fraction of CO2 in gas
pambient pressure
Rbubble radius
Returns
partial pressure of blowing agent

Definition at line 239 of file KineticsFunctions.H.

References M_B.

◆ partialPressureCO2()

double partialPressureCO2 ( double &  M_CO2,
double &  M_B,
double &  surfaceTension,
double &  wCO2_g,
double &  wBA_g,
double &  p,
double &  R 
)

partial pressure of CO2

Parameters
M_CO2molecular weight of CO2
M_Bmolecular weight of blowing agent
surfaceTensionsurface tension
wCO2_gweight fraction of CO2 in gas
wBA_gweight frcation of blowing agent in gas
pambient pressure
Rbubble radius
Returns
partial pressure of CO2

Definition at line 218 of file KineticsFunctions.H.

◆ QKinW()

QKinW ( double &  AW,
double &  EW,
double &  tempi,
double &  Lliq,
double &  rhoPoly,
double &  rhoBL 
)

arrhenius term times by dilution term

Parameters
AWpre-exponential factor
EWactivation energy
tempitemperature
Lliqweight fraction of liquid blowing agent
rhoPolydensity of liquid mixture (polymer)
rhoBLdensity of blowing agent
Returns
source term

Definition at line 176 of file KineticsFunctions.H.

Referenced by BAdilution().

◆ thermalDiffusivityGas()

double thermalDiffusivityGas ( double &  T)

thermal diffusivity of gas as a function of temperature

Parameters
Ttemperature
Returns
thermal diffusivity of gas

Definition at line 337 of file KineticsFunctions.H.

References nodeRadius().

◆ wBL_D()

double wBL_D ( double &  xBL,
double &  M_B,
double &  M_NCO,
double &  L0 
)

weight fraction of maximum allowable blowing agent (R-11) in liquid

Parameters
xBLmole fraction of blowing agent (R-11)
M_Bmolecular weight of blowing agent (R-11)
M_NCOmolecular weight of NCO
Returns
maximum solubility of R-11 in liquid

Definition at line 294 of file KineticsFunctions.H.

References M_NCO, and xBL().

◆ wCO2Max()

double wCO2Max ( double &  M_CO2,
double &  M_liq,
double &  pCO2,
double &  henryCoeff 
)

dissolved amount of CO2 in liquid

Parameters
M_CO2molecular weight of CO2
M_liqmolecular weight of liquid mixture
pCO2partial pressure of CO2
henryCoeffHenry coefficient
Returns
maximum solubility of CO2 in liquid

Definition at line 260 of file KineticsFunctions.H.

◆ xBL()

double xBL ( double &  T,
double &  dxdT 
)

mole fraction of blowing agent (R-11) in liquid polymer

Parameters
Ttemperature
dxdTmodel constant
Returns
mole fraction of R-11 in liquid

Definition at line 275 of file KineticsFunctions.H.

Referenced by wBL_D().