26 #include "grins_config.h"
37 #include "libmesh/getpot.h"
39 int main(
int argc,
char* argv[] )
41 #ifdef GRINS_HAVE_ANTIOCH
46 std::cerr <<
"Error: Must specify input file." << std::endl;
50 GetPot input( argv[1] );
54 std::vector<double> mass_fractions( 5, 0.2 );
57 const double M_N2 = 14.00800*2*1.0e-3;
58 const double M_O2 = 16.0000*2*1.0e-3;
59 const double M_N = 14.00800*1.0e-3;
60 const double M_O = 16.0000*1.0e-3;
61 const double M_NO = 30.00800*1.0e-3;
63 double R_exact = Antioch::Constants::R_universal<double>()*( mass_fractions[0]/M_N2
64 + mass_fractions[1]/M_O2
65 + mass_fractions[3]/M_N
66 + mass_fractions[4]/M_O
67 + mass_fractions[2]/M_NO );
69 double M_exact = 1.0/( mass_fractions[0]/M_N2
70 + mass_fractions[1]/M_O2
71 + mass_fractions[3]/M_N
72 + mass_fractions[4]/M_O
73 + mass_fractions[2]/M_NO );
75 std::vector<double> X_exact(5, 0.0);
76 X_exact[0] = mass_fractions[0]*M_exact/M_N2;
77 X_exact[1] = mass_fractions[1]*M_exact/M_O2;
78 X_exact[3] = mass_fractions[3]*M_exact/M_N;
79 X_exact[4] = mass_fractions[4]*M_exact/M_O;
80 X_exact[2] = mass_fractions[2]*M_exact/M_NO;
84 const double tol = std::numeric_limits<double>::epsilon()*10;
86 if( std::fabs( (antioch.
R_mix(mass_fractions) - R_exact)/R_exact) > tol )
88 std::cerr <<
"Error: Mismatch in mixture gas constant." << std::endl
89 << std::setprecision(16) << std::scientific
90 <<
"R = " << antioch.
R_mix(mass_fractions) << std::endl
91 <<
"R_exact = " << R_exact << std::endl;
95 if( std::fabs( (antioch.
M_mix(mass_fractions) - M_exact)/M_exact ) > tol )
97 std::cerr <<
"Error: Mismatch in mixture molar mass." << std::endl
98 << std::setprecision(16) << std::scientific
99 <<
"M = " << antioch.
M_mix(mass_fractions) << std::endl
100 <<
"M_exact = " << M_exact << std::endl;
104 std::vector<double> X(5);
105 antioch.
X( antioch.
M_mix(mass_fractions), mass_fractions, X );
106 for(
unsigned int s = 0; s < 5; s++ )
108 if( std::fabs( (X[s] - X_exact[s])/X_exact[s]) > tol )
110 std::cerr <<
"Error: Mismatch in mole fraction for species " << s << std::endl
111 << std::setprecision(16) << std::scientific
112 <<
"X = " << X[s] << std::endl
113 <<
"X_exact = " << X_exact[s] << std::endl;
118 #else //GRINS_HAVE_ANTIOCH
120 int return_flag = 77;
libMesh::Real M_mix(const std::vector< libMesh::Real > &mass_fractions) const
Mixture molar mass (molecular weight), [kg/mol].
int main(int argc, char *argv[])
libMesh::Real R_mix(const std::vector< libMesh::Real > &mass_fractions) const
Mixture gas constant, [J/kg-K].
Wrapper class for storing state for Antioch thermo and kinetics.
libMesh::Real X(unsigned int species, libMesh::Real M, libMesh::Real mass_fraction) const
Species mole fraction, unitless.