antioch-0.4.0
Functions
wilke_transport_unit.C File Reference
#include <iostream>
#include <cmath>
#include "antioch_config.h"
#include "antioch/vector_utils_decl.h"
#include "antioch/default_filename.h"
#include "antioch/transport_mixture.h"
#include "antioch/stat_mech_thermo.h"
#include "antioch/cea_curve_fit.h"
#include "antioch/nasa_mixture.h"
#include "antioch/nasa_evaluator.h"
#include "antioch/nasa_mixture_parsing.h"
#include "antioch/eucken_thermal_conductivity.h"
#include "antioch/eucken_thermal_conductivity_building.h"
#include "antioch/blottner_viscosity.h"
#include "antioch/constant_lewis_diffusivity.h"
#include "antioch/kinetics_theory_thermal_conductivity.h"
#include "antioch/kinetics_theory_thermal_conductivity_building.h"
#include "antioch/wilke_mixture.h"
#include "antioch/wilke_evaluator.h"
#include "antioch/mixture_averaged_transport_mixture.h"
#include "antioch/mixture_averaged_transport_evaluator.h"
#include "antioch/blottner_parsing.h"
#include "antioch/constant_lewis_diffusivity_building.h"
#include "antioch/vector_utils.h"

Go to the source code of this file.

Functions

template<typename Scalar >
int test_val (const Scalar val, const Scalar val_exact, const Scalar tol, const std::string &val_name)
 
template<typename Scalar >
int tester ()
 
int main ()
 

Function Documentation

int main ( )

Definition at line 362 of file wilke_transport_unit.C.

363 {
364  return ( tester<double>() ||
365  tester<long double>() ||
366  tester<float>()
367  );
368 }
template<typename Scalar >
int test_val ( const Scalar  val,
const Scalar  val_exact,
const Scalar  tol,
const std::string &  val_name 
)

Definition at line 77 of file wilke_transport_unit.C.

Referenced by tester().

78 {
79  using std::abs;
80 
81  int return_flag = 0;
82 
83  const Scalar rel_error = abs( (val - val_exact)/val_exact);
84 
85  if( rel_error > tol )
86  {
87  std::cerr << std::setprecision(20) << std::scientific
88  << "Error: Mismatch in " << val_name << std::endl
89  << val_name << " = " << val << std::endl
90  << val_name+"_exact = " << val_exact << std::endl
91  << "rel_error = " << rel_error << std::endl
92  << "tol = " << tol << std::endl;
93  return_flag = 1;
94  }
95 
96  return return_flag;
97 }
template<typename Scalar >
int tester ( )

Definition at line 100 of file wilke_transport_unit.C.

References Antioch::ASCII, Antioch::DefaultSourceFilename::blottner_data(), Antioch::MixtureAveragedTransportEvaluator< Diffusion, Viscosity, ThermalConductivity, CoeffType >::compute_mu_mu_sqrt(), Antioch::MixtureAveragedTransportEvaluator< Diffusion, Viscosity, ThermalConductivity, CoeffType >::compute_phi(), Antioch::NASAEvaluator< CoeffType, NASAFit >::cp(), cp(), Antioch::KineticsModel::D, Antioch::MixtureAveragedTransportEvaluator< Diffusion, Viscosity, ThermalConductivity, CoeffType >::D(), Antioch::init_constant(), Antioch::MixtureAveragedTransportEvaluator< Diffusion, Viscosity, ThermalConductivity, CoeffType >::k(), Antioch::ChemicalMixture< CoeffType >::M(), Antioch::MixtureAveragedTransportEvaluator< Diffusion, Viscosity, ThermalConductivity, CoeffType >::mu(), Antioch::MixtureAveragedTransportEvaluator< Diffusion, Viscosity, ThermalConductivity, CoeffType >::mu_and_k(), Antioch::MixtureAveragedTransportEvaluator< Diffusion, Viscosity, ThermalConductivity, CoeffType >::mu_and_k_and_D(), std::pow(), Antioch::ChemicalMixture< CoeffType >::R(), Antioch::read_blottner_data_ascii(), Antioch::read_nasa_mixture_data(), Antioch::set_zero(), test_val(), and Antioch::DefaultSourceFilename::thermo_data().

101 {
102  using std::pow;
103 
104  std::vector<std::string> species_str_list;
105  const unsigned int n_species = 5;
106  species_str_list.reserve(n_species);
107  species_str_list.push_back( "N2" );
108  species_str_list.push_back( "O2" );
109  species_str_list.push_back( "N" );
110  species_str_list.push_back( "O" );
111  species_str_list.push_back( "NO" );
112 
113 // mixture and thermo for conduction
114  Antioch::ChemicalMixture<Scalar> chem_mixture( species_str_list );
115 
116 // micro thermo
117  Antioch::StatMechThermodynamics<Scalar> thermo_stat( chem_mixture );
118 
119  typedef Antioch::StatMechThermodynamics<Scalar> MicroThermo;
120 
121 // macro thermo for cp (diffusion)
122  Antioch::NASAThermoMixture<Scalar,Antioch::CEACurveFit<Scalar> > cea_mixture( chem_mixture );
123  Antioch::read_nasa_mixture_data( cea_mixture, Antioch::DefaultFilename::thermo_data(),Antioch::ASCII, true );
124  Antioch::NASAEvaluator<Scalar,Antioch::CEACurveFit<Scalar> > thermo_mix( cea_mixture );
125 
126  Antioch::TransportMixture<Scalar> tran_mixture( chem_mixture );
127 
128 //
129  Antioch::MixtureConductivity<Antioch::EuckenThermalConductivity<MicroThermo>,Scalar>
130  k( tran_mixture );
131  Antioch::build_eucken_thermal_conductivity<MicroThermo,Scalar>(k,thermo_stat);
132 
133 
134  Antioch::MixtureViscosity<Antioch::BlottnerViscosity<Scalar>,Scalar> mu( tran_mixture );
135  Antioch::read_blottner_data_ascii( mu, Antioch::DefaultFilename::blottner_data() );
136 
137 
138 // pure species set, all internally set
139 #ifdef ANTIOCH_HAVE_GSL
140  Antioch::MixtureViscosity<Antioch::KineticsTheoryViscosity<Scalar,Antioch::GSLSpliner>,Scalar >
141  ps_mu(tran_mixture);
142  Antioch::build_kinetics_theory_viscosity<Scalar,Antioch::GSLSpliner>(ps_mu);
143 
144  Antioch::MixtureDiffusion<Antioch::MolecularBinaryDiffusion<Scalar,Antioch::GSLSpliner>,Scalar>
145  bimol_D( tran_mixture );
146 
147 #endif
148 
149  Antioch::MixtureConductivity<Antioch::KineticsTheoryThermalConductivity<MicroThermo,Scalar>,Scalar>
150  ps_k( tran_mixture );
151 
152  Antioch::build_kinetics_theory_thermal_conductivity<MicroThermo,Scalar>(ps_k,thermo_stat);
153 
154 //Eucken is internally set
155 
156  Antioch::MixtureDiffusion<Antioch::ConstantLewisDiffusivity<Scalar>,Scalar>
157  D( tran_mixture );
158 
159  const Scalar Le = 1.4;
160  Antioch::build_constant_lewis_diffusivity<Scalar>( D, Le);
161 
162 // non kinetics theory
163  Antioch::MixtureAveragedTransportMixture<Scalar> wilke_mixture( tran_mixture );
164 
165  Antioch::MixtureAveragedTransportEvaluator<Antioch::ConstantLewisDiffusivity<Scalar>,
166  Antioch::BlottnerViscosity<Scalar>,
167  Antioch::EuckenThermalConductivity<MicroThermo>,
168  Scalar>
169  wilke( wilke_mixture, D, mu, k );
170 
171 
172 // kinetics theory full
173 #ifdef ANTIOCH_HAVE_GSL
174 
175  Antioch::MixtureAveragedTransportEvaluator<Antioch::MolecularBinaryDiffusion<Scalar,Antioch::GSLSpliner>,
176  Antioch::KineticsTheoryViscosity<Scalar,Antioch::GSLSpliner>,
177  Antioch::KineticsTheoryThermalConductivity<MicroThermo,Scalar>,
178  Scalar>
179  wilke_ps_evaluator(wilke_mixture,bimol_D,ps_mu,ps_k);
180 
181 #endif
182 
183  Antioch::WilkeMixture<Scalar> wilke_mix_dep( chem_mixture );
184 
185  Antioch::EuckenThermalConductivity<MicroThermo> k_eucken(thermo_stat);
186 
187  Antioch::WilkeEvaluator<Antioch::MixtureViscosity<Antioch::BlottnerViscosity<Scalar>,Scalar>,
188  Antioch::EuckenThermalConductivity<MicroThermo>,
189  Scalar> wilke_eval_dep( wilke_mix_dep, mu, k_eucken );
190 
191  int return_flag = 0;
192 
193  const Scalar tol = std::numeric_limits<Scalar>::epsilon() * 5;
194 
195  // First check phi calculation
196  // phi_s = sum_r (chi_r*(1+sqrt(mu_s/mu_r)*(Mr/Ms)^(1/4))^2)/sqrt(8*(1+Ms/Mr))
197  {
198  std::vector<Scalar> mu( 5 );
199  mu[0] = 0.1L;
200  mu[1] = 0.2L;
201  mu[2] = 0.3L;
202  mu[3] = 0.15L;
203  mu[4] = 0.25L;
204 
205  std::vector<Scalar> chi( 5 );
206  chi[0] = 0.1L;
207  chi[1] = 0.2L;
208  chi[2] = 0.3L;
209  chi[3] = 0.15L;
210  chi[4] = 0.25L;
211 
212  Scalar phi_N_exact = 0.0L;
213  unsigned int N_index = 2;
214  Scalar M_N = chem_mixture.M(N_index);
215 
216  for( unsigned int r = 0; r < 5; r++ )
217  {
218  Scalar M_r = chem_mixture.M(r);
219  Scalar dummy = 1.0L + std::sqrt(mu[N_index]/mu[r])*pow( M_r/M_N, Scalar(0.25L) );
220  phi_N_exact += chi[r]*dummy*dummy/std::sqrt(8.0L*( 1.0L + M_N/M_r ) );
221  }
222 
223  Scalar phi_N;
224  std::vector<std::vector<Scalar> > mu_mu_sqrt(mu.size());
225  Antioch::init_constant(mu_mu_sqrt,mu);
226  Antioch::set_zero(mu_mu_sqrt);
227 
228  wilke.compute_mu_mu_sqrt( mu, mu_mu_sqrt);
229  phi_N = wilke.compute_phi( mu_mu_sqrt, chi, N_index );
230 
231  return_flag = test_val( phi_N, phi_N_exact, tol, std::string("phi") );
232  }
233 
234  const Scalar P = 1e5;
235  std::vector<Scalar> mass_fractions( 5, 0.2L);
236  const Scalar T = 1000.0L;
237  const Antioch::TempCache<Scalar> T_cache(T);
238 
239  const Scalar R_mix = chem_mixture.R(mass_fractions); // get R_tot in J.kg-1.K-1
240  const Scalar rho = P/(R_mix*T); // kg.m-3
241  const Scalar cp = thermo_mix.cp( T_cache, mass_fractions );
242 
243  const Scalar wilke_mu_long_double = 4.51233094078102111066e-05L;
244  const Scalar wilke_k_long_double = 8.01027375195322618301e-02L;
245 
246  Scalar wilke_mu = wilke.mu(T, mass_fractions );
247  Scalar wilke_k = wilke.k(T, mass_fractions );
248 
249  return_flag = test_val( wilke_mu, wilke_mu_long_double, tol, "wilke mixture viscosity") || return_flag;
250  return_flag = test_val( wilke_k, wilke_k_long_double, tol, "wilke mixture thermal conduction") || return_flag;
251 
252  std::vector<Scalar> lewis_D(5,0);
253 
254  wilke.mu_and_k(T,mass_fractions,wilke_mu,wilke_k);
255 
256  return_flag = test_val( wilke_mu, wilke_mu_long_double, tol, "wilke mixture viscosity") || return_flag;
257  return_flag = test_val( wilke_k, wilke_k_long_double, tol, "wilke mixture thermal conduction") || return_flag;
258 
259  wilke.mu_and_k_and_D( T, rho, cp, mass_fractions, wilke_mu, wilke_k, lewis_D );
260 
261  Scalar D_lewis_exact = wilke_k/(rho*cp*Le);
262 
263  for(unsigned int s = 0; s < lewis_D.size(); s++)
264  return_flag = test_val( lewis_D[s], D_lewis_exact, tol, "constant Lewis diffusion for species " + species_str_list[s]) || return_flag;
265 
266 #if ANTIOCH_HAVE_GSL
267 /* \todo better the test
268  Alright we need something to test, so here's the sorry version.
269  It is the long double values, we're thus just verifying that
270  future development won't change them.
271 
272  the smart test would be to make up molecules where the
273  reduced dipole moment fall into a node (easy part, 0 works)
274  and the reduced temperature falls also on a node (less easy).
275  Then we will have a theoretical independant value.
276 */
277 
278  const Scalar mu_kt_long_double = 4.49877527305932602332e-05L;
279  const Scalar k_kt_long_double = 8.22050332419571328635e-02L;
280 
281  std::vector<Scalar> D_kt_long_double(5,0);
282  D_kt_long_double[0] = 1.95418749838889089562e-04L;
283  D_kt_long_double[1] = 1.92376915629762328034e-04L;
284  D_kt_long_double[2] = 2.98006144849143296987e-04L;
285  D_kt_long_double[3] = 3.08179434829991685679e-04L;
286  D_kt_long_double[4] = 1.90508644119203653519e-04L;
287  Scalar mu_kt, k_kt;
288  std::vector<Scalar> D_kt(5,0);
289  wilke_ps_evaluator.mu_and_k_and_D( T, rho, cp, mass_fractions, mu_kt, k_kt, D_kt );
290 
291 
292  return_flag = test_val( mu_kt, mu_kt_long_double, tol, "kinetics theory viscosity") || return_flag;
293  return_flag = test_val( k_kt, k_kt_long_double, tol, "kinetics theory thermal conduction") || return_flag;
294  for(unsigned int s = 0; s < D_kt.size(); s++)
295  return_flag = test_val( D_kt[s], D_kt_long_double[s], tol, "kinetics theory diffusion for species " + species_str_list[s]) || return_flag;
296 
297  std::vector<Scalar> D_kt_2(5,0);
298  wilke_ps_evaluator.D(rho, T, mass_fractions, D_kt_2 );
299 
300  for(unsigned int s = 0; s < D_kt.size(); s++)
301  return_flag = test_val( D_kt_2[s], D_kt_long_double[s], tol, "kinetics theory diffusion for species " + species_str_list[s]) || return_flag;
302 
303  // Mass flux, mass fraction test
304  {
305  typename Antioch::MixtureAveragedTransportEvaluator<Antioch::MolecularBinaryDiffusion<Scalar,Antioch::GSLSpliner>,
306  Antioch::KineticsTheoryViscosity<Scalar,Antioch::GSLSpliner>,
307  Antioch::KineticsTheoryThermalConductivity<MicroThermo,Scalar>,
308  Scalar>::DiffusivityType
309  diff_type = Antioch::MixtureAveragedTransportEvaluator<Antioch::MolecularBinaryDiffusion<Scalar,Antioch::GSLSpliner>,
310  Antioch::KineticsTheoryViscosity<Scalar,Antioch::GSLSpliner>,
311  Antioch::KineticsTheoryThermalConductivity<MicroThermo,Scalar>,
312  Scalar>::MASS_FLUX_MASS_FRACTION;
313 
314  std::vector<Scalar> D_kt_mass_mass_long_double(5);
315  D_kt_mass_mass_long_double[0] = 2.049224418207810845348e-04L;
316  D_kt_mass_mass_long_double[1] = 2.065920312318615510015e-04L;
317  D_kt_mass_mass_long_double[2] = 2.550809908204135170620e-04L;
318  D_kt_mass_mass_long_double[3] = 2.790464132548291530901e-04L;
319  D_kt_mass_mass_long_double[4] = 2.024029424511201457822e-04L;
320 
321  std::vector<Scalar> D_kt_mass_mass(5,0);
322  wilke_ps_evaluator.D(rho, T, mass_fractions, D_kt_mass_mass, diff_type );
323 
324  for(unsigned int s = 0; s < D_kt.size(); s++)
325  return_flag = test_val( D_kt_mass_mass[s], D_kt_mass_mass_long_double[s], tol, "kinetics theory diffusion (mass flux, mass fraction) for species " + species_str_list[s]) || return_flag;
326 
327  }
328 
329  // Mole flux, mole fraction test
330  {
331  typename Antioch::MixtureAveragedTransportEvaluator<Antioch::MolecularBinaryDiffusion<Scalar,Antioch::GSLSpliner>,
332  Antioch::KineticsTheoryViscosity<Scalar,Antioch::GSLSpliner>,
333  Antioch::KineticsTheoryThermalConductivity<MicroThermo,Scalar>,
334  Scalar>::DiffusivityType
335  diff_type = Antioch::MixtureAveragedTransportEvaluator<Antioch::MolecularBinaryDiffusion<Scalar,Antioch::GSLSpliner>,
336  Antioch::KineticsTheoryViscosity<Scalar,Antioch::GSLSpliner>,
337  Antioch::KineticsTheoryThermalConductivity<MicroThermo,Scalar>,
338  Scalar>::MOLE_FLUX_MOLE_FRACTION;
339 
340  std::vector<Scalar> D_kt_mole_mole_long_double(5);
341  D_kt_mole_mole_long_double[0] = 2.070373009368896292617e-04L;
342  D_kt_mole_mole_long_double[1] = 2.083783534307470249142e-04L;
343  D_kt_mole_mole_long_double[2] = 2.589403037715613871414e-04L;
344  D_kt_mole_mole_long_double[3] = 2.824017881144487186270e-04L;
345  D_kt_mole_mole_long_double[4] = 2.042449798230576410557e-04L;
346 
347  std::vector<Scalar> D_kt_mole_mole(5,0);
348  wilke_ps_evaluator.D(rho, T, mass_fractions, D_kt_mole_mole, diff_type );
349 
350  for(unsigned int s = 0; s < D_kt.size(); s++)
351  return_flag = test_val( D_kt_mole_mole[s], D_kt_mole_mole_long_double[s], tol, "kinetics theory diffusion (mass flux, mass fraction) for species " + species_str_list[s]) || return_flag;
352 
353  }
354 
355 
356 
357 #endif
358 
359  return return_flag;
360 }
Antioch::WilkeEvaluator
Deprecated. Use MixtureAveragedTransportEvaluator instead.
Definition: wilke_evaluator.h:47
Antioch::MixtureViscosity
Container class for species viscosities.
Definition: blottner_parsing.h:41
Antioch::MixtureAveragedTransportEvaluator
Compute transport properties using ``mixture averaged" model.
Definition: mixture_averaged_transport_evaluator.h:66
Antioch::WilkeEvaluator::k
StateType k(const StateType &T, const VectorStateType &mass_fractions) const
Definition: wilke_evaluator.h:63
Antioch::MixtureDiffusion
Container class for species binary diffusion models.
Definition: mixture_diffusion.h:55
cp
Scalar cp(Scalar T, Scalar a0, Scalar a1, Scalar a2, Scalar a3, Scalar a4, Scalar a5, Scalar a6)
Definition: cea_evaluator_vec_unit.C:125
Antioch::KineticsTheoryThermalConductivity
Conductivity based on kinetic theory of mixtures approximations.
Definition: kinetics_theory_thermal_conductivity.h:44
test_val
int test_val(const Scalar val, const Scalar val_exact, const Scalar tol, const std::string &val_name)
Definition: wilke_transport_unit.C:77
Antioch::read_nasa_mixture_data
void read_nasa_mixture_data(NASAThermoMixture< NumericType, CurveType > &thermo, const std::string &filename=DefaultSourceFilename::thermo_data(), ParsingType=ASCII, bool verbose=true)
Definition: nasa_mixture_parsing.C:42
std::pow
Antioch::enable_if_c< Antioch::is_valarray< T >::value, typename Antioch::state_type< T >::type >::type pow(const T &in, const T2 &n)
Definition: valarray_utils.h:71
Antioch::EuckenThermalConductivity
Species conductivity based on Eucken relation.
Definition: eucken_thermal_conductivity.h:43
Antioch::TransportMixture
Class storing chemical mixture properties.
Definition: ascii_parser.h:55
Antioch::DefaultSourceFilename::thermo_data
static const std::string & thermo_data()
Definition: default_filename.h:76
Antioch::DefaultSourceFilename::blottner_data
static const std::string & blottner_data()
Definition: default_filename.h:90
Antioch::set_zero
void set_zero(_Matrix< _Scalar, _Rows, _Cols, _Options, _MaxRows, _MaxCols > &a)
Definition: eigen_utils.h:217
Antioch::MixtureConductivity
Container class for species thermal conductivities.
Definition: mixture_conductivity.h:42
Antioch::WilkeEvaluator::mu
StateType mu(const StateType &T, const VectorStateType &mass_fractions) const
Definition: wilke_evaluator.h:59
Antioch::ChemicalMixture
Class storing chemical mixture properties.
Definition: chemical_mixture.h:75
Antioch::init_constant
void init_constant(Vector &output, const Scalar &example)
Definition: metaprogramming.h:119
Antioch::read_blottner_data_ascii
void read_blottner_data_ascii(MixtureViscosity< BlottnerViscosity< NumericType >, NumericType > &mu, const std::string &filename)
Definition: blottner_parsing.C:41
Antioch::MixtureAveragedTransportMixture
Mixture object for MixtureAveragedTransport model.
Definition: mixture_averaged_transport_mixture.h:59
Generated on Thu Jul 7 2016 11:09:48 for antioch-0.4.0 by  doxygen 1.8.8