MoDeNa  1.0
Software framework facilitating sequential multi-scale modelling
experimentalInputs.h
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1 
87  double Pr = 101325.0;
88  double Temp0 = 297;
89 /* Inputs for gelling reaction, XOH */
90  double A_OH = 1965.0;
91  double E_OH = 5.487e4;
92  double OH_0 = 3765.0;
93  double NCO_0 = 3765.0;
94  double W_0 = -1.0;
95 
96  double catalyst;
97  double polyol1_ini;
98  double polyol2_ini;
99  double amine_ini;
100  double isocyanate1_ini;
101  double isocyanate2_ini;
102  double isocyanate3_ini;
103 
104 /* Inputs for blowing reaction, XW */
105  double A_W = 1.385e3;
106  double E_W = 3.266e4;
107 /* Constants */
108  double RR = 8.3145;
109  double rhoPoly = 1100.0;
110  double rhoBL = 1467.0;
111 /* Inputs for enthalpy */
112  double DH_OH = -7.49e4;
113  double DH_W = -8.6e4;
114  double C_Poly = 1800.0;
115  double C_CO2 = 836.6;
116  double C_BG = 593.0;
117  double C_BL = 870.0;
118  double lambda = 2.0e5;
119  double C_TOT;
120 // physical blowing agent (used for solubility model)
121  int phBL = 1; // 1=pentane, 2=R-11
122 // density model used
123  int denMod;
124 // kinetics model used
125  int kinMod = 2;
126  bool dilution= true;
127  double X_gel;
128 /* Inputs for weight fraction of gaseous CO2 in the mixture */
129  double M_CO2 = 44.0;
130  double M_B = 137.37;
131  double M_NCO = 615.0;
132  double M_air = 29.0;
133  double L0 = 0.155;
134  double CO2_0 = 0.0;
135 // Other physical properties
136  double surfaceTension = 25e-3;
137 // initial bubble size distribution
138  double sig = 1e-1;
139  double init_size= 2.0e-6;
140  double NN = 0.138e12;
141  double air_g;
142 // integration parameters
143  double abs_err = 1e-6;
144  double rel_err = 1e-6;
145  double dt = 1e0;
146  double tend = 200;
147 // Realizability
148  bool realizabilityCheck = false; // switch for realizability
149 // 2nodes vs meanDiameter
150  std::string bubbleMode; // mean radius, two nodes
151  bool apparentViscosity;
152  // bool kinetics_basf = false;
double E_W
activation energy for the blowing reaction, J/mol
double C_BL
Specific heat of the physical blowing agent in liquid phase, J/kg K.
double CO2_0
Initial weight fraction of CO2 in the liquid, -.
double NN
correlated to number of initial bubbles in m^3
double lambda
Latent heat of blowing agent, J/kg.
double rel_err
relative error
double dt
time step, s
double abs_err
absolute error
double OH_0
Initial concentration of polyol OH groups in the mixutre, mol/m3.
double sig
correlated to variance of initial distribution
int denMod
density mode, 1 = modena, 2 = constant
double C_BG
Specific heat of the physical blowing agent in gas phase, J/kg K.
double surfaceTension
required for the computation of partial pressure
double M_CO2
Molecular mass of carbon dioxide, kg/kmol.
double W_0
Initial concentration of water in the mixture, mol/m3.
double M_NCO
Molecular weight of NCO, kg/kmol.
double init_size
initial mean bubble diameter, m
double RR
ideal gas constant, J/mol K
double DH_OH
Reaction heat for the gelling reaction, J/mol.
double Pr
initial/final pressure of the mixture, Pa
double C_TOT
Total specifc heat of the mixture.
double air_g
air weight fraction
double rhoPoly
density of the liquid polymer, kg/m3
bool dilution
use dilution effect
double rhoBL
density of the blowing agent, kg/m3
double C_CO2
CO2 specific heat, J/kg K.
double NCO_0
Initial concentration of isocianate NCO groups in the mixutre, mol/m3.
double M_B
Molecular mass of blowing agent, kg/kmol.
double Temp0
initial temperature, K
double M_air
Molecular weight of air, kg/kmol.
double L0
Initial weight fraction of blowing agent in the liquid, -.
int kinMod
kinetics model, 1 = Baser, 2 = Baser with R(x)
double A_OH
pre-exponential factor for the gelling reaction, 1/s
int phBL
type of physical blowing agent 1 = pentane, 2 = R-11
double tend
end time, s
double DH_W
Reaction heat for the blowing reaction, J/mol.
double A_W
pre-exponential factor for the blowing reaction, 1/s
double E_OH
activation energy for the gelling reaction, J/mol