39 #include "libmesh/getpot.h"
41 template<
typename ChemicalMixture>
42 int test( ChemicalMixture& chem_mixture )
44 const unsigned int N_index = chem_mixture.species_index(
"N");
45 const unsigned int C_index = chem_mixture.species_index(
"C");
46 const unsigned int CN_index = chem_mixture.species_index(
"CN");
48 const double gamma = 0.03;
54 const double w_s = 0.2;
56 const double rho = 1.0e-3;
57 const double rho_s = rho*w_s;
59 const double T = 620.1;
60 const double R_N = chem_mixture.R( chem_mixture.species_index(
"N") );
62 const double R = 30.1;
66 const double drho_dws = -rho*rho_s/R;
67 const double domega_dot_dws_exact = drho_dws*w_s*gamma*std::sqrt( R_N*T/(GRINS::Constants::two_pi) )
68 + rho*gamma*std::sqrt( R_N*T/(GRINS::Constants::two_pi) );
70 const double mdot_C_exact = -omega_dot_exact*chem_mixture.M( chem_mixture.species_index(
"C") )/chem_mixture.M( chem_mixture.species_index(
"N") );
72 const double mdot_CN_exact = omega_dot_exact*chem_mixture.M( chem_mixture.species_index(
"CN") )/chem_mixture.M( chem_mixture.species_index(
"N") );
76 const double omega_dot_N = wall.
omega_dot( rho_s, T );
78 const double domega_dot_dT_N = wall.
domega_dot_dT( rho_s, T );
80 const double domega_dot_dws_N = wall.
domega_dot_dws( rho_s, w_s, T, R );
88 const double tol = 1.0e-15;
92 double rel_error = std::fabs( (omega_dot_N - omega_dot_exact)/omega_dot_exact );
96 std::cerr << std::setprecision(16) << std::scientific
97 <<
"Mismatch in omega_dot_N!" << std::endl
98 <<
"omega_dot_N = " << omega_dot_N << std::endl
99 <<
"omega_dot_exact = " << omega_dot_exact << std::endl
100 <<
"rel error = " << rel_error << std::endl;
108 double rel_error = std::fabs( (domega_dot_dT_N - domega_dot_dT_exact)/domega_dot_dT_exact );
110 if( rel_error > tol )
112 std::cerr << std::setprecision(16) << std::scientific
113 <<
"Mismatch in domega_dot_dT_N!" << std::endl
114 <<
"domega_dot_dT_N = " << domega_dot_dT_N << std::endl
115 <<
"domega_dot_dT_exact = " << domega_dot_dT_exact << std::endl
116 <<
"rel error = " << rel_error << std::endl;
124 double rel_error = std::fabs( (domega_dot_dws_N - domega_dot_dws_exact)/domega_dot_dws_exact );
126 if( rel_error > tol )
128 std::cerr << std::setprecision(16) << std::scientific
129 <<
"Mismatch in domega_dot_dws_N!" << std::endl
130 <<
"domega_dot_dws_N = " << domega_dot_dws_N << std::endl
131 <<
"domega_dot_dws_exact = " << domega_dot_dws_exact << std::endl
132 <<
"rel error = " << rel_error << std::endl;
140 double rel_error = std::fabs( (mdot_N-(-omega_dot_exact))/(-omega_dot_exact) );
142 if( rel_error > tol )
144 std::cerr << std::setprecision(16) << std::scientific
145 <<
"Mismatch in mdot_N!" << std::endl
146 <<
"mdot_N = " << mdot_N << std::endl
147 <<
"mdot_N_exact = " << -omega_dot_exact << std::endl
148 <<
"rel error = " << rel_error << std::endl;
156 double rel_error = std::fabs( (mdot_C - mdot_C_exact)/mdot_C_exact );
158 if( rel_error > tol )
160 std::cerr << std::setprecision(16) << std::scientific
161 <<
"Mismatch in mdot_C!" << std::endl
162 <<
"mdot_C = " << mdot_C << std::endl
163 <<
"mdot_C_exact = " << mdot_C_exact << std::endl
164 <<
"rel error = " << rel_error << std::endl;
172 double rel_error = std::fabs( (mdot_CN - mdot_CN_exact)/mdot_CN_exact );
174 if( rel_error > tol )
176 std::cerr << std::setprecision(16) << std::scientific
177 <<
"Mismatch in mdot_CN!" << std::endl
178 <<
"mdot_CN = " << mdot_CN << std::endl
179 <<
"mdot_CN_exact = " << mdot_CN_exact << std::endl
180 <<
"rel error = " << rel_error << std::endl;
190 int main(
int argc,
char* argv[])
194 std::cerr <<
"Error: must specify the test type (cantera or antioch) and the input file name"
199 std::string test_type = argv[1];
201 GetPot input( argv[2] );
205 if( test_type ==
"cantera" )
207 #ifdef GRINS_HAVE_CANTERA
209 return_flag = test<GRINS::CanteraMixture>( chem_mixture );
214 else if( test_type ==
"antioch" )
216 #ifdef GRINS_HAVE_ANTIOCH
218 return_flag = test<GRINS::AntiochChemistry>( chem_mixture );
225 std::cerr <<
"Invalid test type " << test_type << std::endl;
libMesh::Real compute_reactant_gas_mass_flux(const libMesh::Real rho, const libMesh::Real Y_r, const libMesh::Real T)
Wrapper class for Antioch::ChemicalMixture.
int main(int argc, char *argv[])
int test(ChemicalMixture &chem_mixture)
libMesh::Real compute_reactant_solid_mass_consumption(const libMesh::Real rho, const libMesh::Real Y_r, const libMesh::Real T)
libMesh::Real domega_dot_dT(const libMesh::Real rho_s, const libMesh::Real T) const
libMesh::Real omega_dot(const libMesh::Real rho_s, const libMesh::Real T) const
libMesh::Real domega_dot_dws(const libMesh::Real rho_s, const libMesh::Real w_s, const libMesh::Real T, const libMesh::Real R) const
Wrapper class for storing state for computing thermochemistry and transport properties using Cantera...
const libMesh::Real two_pi
libMesh::Real compute_product_mass_flux(const libMesh::Real rho, const libMesh::Real Y_r, const libMesh::Real T)