int tester() { //description std::vector<std::string> neutrals; std::vector<std::string> ions; neutrals.push_back("N2"); neutrals.push_back("CH4"); neutrals.push_back("C2H"); //ionic system contains neutral system ions = neutrals; ions.push_back("N2+"); Scalar MN(14.008L), MC(12.011), MH(1.008L); Scalar MN2 = 2.L*MN , MCH4 = MC + 4.L*MH, MC2H = 2.L * MC + MH; std::vector<Scalar> Mm; Mm.push_back(MN2); Mm.push_back(MCH4); Mm.push_back(MC2H); //densities std::vector<Scalar> molar_frac; molar_frac.push_back(0.95999L); molar_frac.push_back(0.04000L); molar_frac.push_back(0.00001L); molar_frac.push_back(0.L); Scalar dens_tot(1e12L); //hard sphere radius std::vector<Scalar> hard_sphere_radius; hard_sphere_radius.push_back(2.0675e-8L * 1e-2L); //N2 in cm -> m hard_sphere_radius.push_back(2.3482e-8L * 1e-2L); //CH4 in cm -> m hard_sphere_radius.push_back(0.L); //C2H //zenith angle //not necessary //photon flux //not necessary ////cross-section //not necessary //altitudes Scalar zmin(600.),zmax(1400.),zstep(10.); //binary diffusion Scalar bCN1(1.04e-5 * 1e-4),bCN2(1.76); //cm2 -> m2 Planet::DiffusionType CN_model(Planet::DiffusionType::Wakeham); Scalar bCC1(5.73e16 * 1e-4),bCC2(0.5); //cm2 -> m2 Planet::DiffusionType CC_model(Planet::DiffusionType::Wilson); Scalar bNN1(0.1783 * 1e-4),bNN2(1.81); //cm2 -> m2 Planet::DiffusionType NN_model(Planet::DiffusionType::Massman); /************************ * first level ************************/ //altitude Planet::Altitude<Scalar,std::vector<Scalar> > altitude(zmin,zmax,zstep); //neutrals Antioch::ChemicalMixture<Scalar> neutral_species(neutrals); //ions Antioch::ChemicalMixture<Scalar> ionic_species(ions); //chapman //not needed //binary diffusion Planet::BinaryDiffusion<Scalar> N2N2( Antioch::Species::N2, Antioch::Species::N2 , bNN1, bNN2, NN_model); Planet::BinaryDiffusion<Scalar> N2CH4( Antioch::Species::N2, Antioch::Species::CH4, bCN1, bCN2, CN_model); Planet::BinaryDiffusion<Scalar> CH4CH4( Antioch::Species::CH4, Antioch::Species::CH4, bCC1, bCC2, CC_model); Planet::BinaryDiffusion<Scalar> N2C2H( Antioch::Species::N2, Antioch::Species::C2H); Planet::BinaryDiffusion<Scalar> CH4C2H( Antioch::Species::CH4, Antioch::Species::C2H); std::vector<std::vector<Planet::BinaryDiffusion<Scalar> > > bin_diff_coeff; bin_diff_coeff.resize(2); bin_diff_coeff[0].push_back(N2N2); bin_diff_coeff[0].push_back(N2CH4); bin_diff_coeff[0].push_back(N2C2H); bin_diff_coeff[1].push_back(N2CH4); bin_diff_coeff[1].push_back(CH4CH4); bin_diff_coeff[1].push_back(CH4C2H); /************************ * second level ************************/ //temperature std::vector<Scalar> T0,Tz; read_temperature<Scalar>(T0,Tz,"input/temperature.dat"); std::vector<Scalar> neutral_temperature; linear_interpolation(T0,Tz,altitude.altitudes(),neutral_temperature); Planet::AtmosphericTemperature<Scalar, std::vector<Scalar> > temperature(neutral_temperature, neutral_temperature, altitude); //photon opacity //not needed //reaction sets //not needed /************************ * third level ************************/ //atmospheric mixture Planet::AtmosphericMixture<Scalar,std::vector<Scalar>, std::vector<std::vector<Scalar> > > composition(neutral_species, ionic_species, altitude, temperature); composition.init_composition(molar_frac,dens_tot); composition.set_hard_sphere_radius(hard_sphere_radius); composition.initialize(); //kinetics evaluators //not needed /************************ * fourth level ************************/ //photon evaluator //not needed //molecular diffusion Planet::MolecularDiffusionEvaluator<Scalar,std::vector<Scalar>, std::vector<std::vector<Scalar> > > molecular_diffusion(bin_diff_coeff, composition, altitude, temperature); molecular_diffusion.make_molecular_diffusion(); //eddy diffusion //not needed /************************ * checks ************************/ molar_frac.pop_back();//get the ion outta here Scalar Matm(0.L); for(unsigned int s = 0; s < molar_frac.size(); s++) { Matm += molar_frac[s] * composition.neutral_composition().M(s); } Matm *= 1e-3L; //to kg std::vector<std::vector<Scalar> > densities; calculate_densities(densities, dens_tot, molar_frac, zmin,zmax,zstep, temperature.neutral_temperature(), Mm); //N2, CH4, C2H std::vector<std::vector<Scalar> > Dij; Dij.resize(2); Dij[0].resize(3,0.L); Dij[1].resize(3,0.L); int return_flag(0); for(unsigned int iz = 0; iz < altitude.altitudes().size(); iz++) { Scalar P = pressure(composition.total_density()[iz],temperature.neutral_temperature()[iz]); Scalar T = temperature.neutral_temperature()[iz]; Dij[0][0] = binary_coefficient(T,P,bNN1,bNN2); //N2 N2 Dij[1][1] = binary_coefficient(T,P,bCC1 * Antioch::ant_pow(Planet::Constants::Convention::T_standard<Scalar>(),bCC2 + Scalar(1.L)) * Planet::Constants::Universal::kb<Scalar>() / Planet::Constants::Convention::P_normal<Scalar>(),bCC2 + Scalar(1.L)); //CH4 CH4 Dij[0][1] = binary_coefficient(T,P,bCN1 * Antioch::ant_pow(Planet::Constants::Convention::T_standard<Scalar>(),bCN2),bCN2); //N2 CH4 Dij[0][2] = binary_coefficient(Dij[0][0],Mm[0],Mm[2]); //N2 C2H Dij[1][2] = binary_coefficient(Dij[1][1],Mm[1],Mm[2]); //CH4 C2H Dij[1][0] = Dij[0][1]; //CH4 N2 for(unsigned int s = 0; s < molar_frac.size(); s++) { Scalar tmp(0.L); Scalar M_diff(0.L); for(unsigned int medium = 0; medium < 2; medium++) { if(s == medium)continue; tmp += densities[medium][iz]/Dij[medium][s]; } Scalar Ds = (barometry(zmin,altitude.altitudes()[iz],neutral_temperature[iz],Matm,dens_tot) - densities[s][iz]) / tmp; for(unsigned int j = 0; j < molar_frac.size(); j++) { if(s == j)continue; M_diff += composition.total_density()[iz] * composition.neutral_molar_fraction()[j][iz] * composition.neutral_composition().M(j); } M_diff /= Scalar(molar_frac.size() - 1); Scalar Dtilde = Ds / (Scalar(1.L) - composition.neutral_molar_fraction()[s][iz] * (Scalar(1.L) - composition.neutral_composition().M(s)/M_diff)); return_flag = return_flag || check_test(Dtilde,molecular_diffusion.Dtilde()[s][iz],"D tilde of species at altitude"); } return_flag = return_flag || check_test(Dij[0][0],molecular_diffusion.binary_coefficient(0,0,T,P),"binary molecular coefficient N2 N2 at altitude") || check_test(Dij[0][1],molecular_diffusion.binary_coefficient(0,1,T,P),"binary molecular coefficient N2 CH4 at altitude") || check_test(Dij[0][2],molecular_diffusion.binary_coefficient(0,2,T,P),"binary molecular coefficient N2 C2H at altitude") || check_test(Dij[1][1],molecular_diffusion.binary_coefficient(1,1,T,P),"binary molecular coefficient CH4 CH4 at altitude") || check_test(Dij[1][2],molecular_diffusion.binary_coefficient(1,2,T,P),"binary molecular coefficient CH4 C2H at altitude"); } return return_flag; }
int test() { std::vector<std::string> neutrals; std::vector<std::string> ions; neutrals.push_back("N2"); neutrals.push_back("CH4"); ions.push_back("N2+"); ions.push_back("e"); //photons std::vector<Scalar> lambda,phy1AU; read_hv_flux<Scalar>(lambda,phy1AU,"./input/hv_SSI.dat"); Scalar chi(100.); Planet::Chapman<Scalar> chapman(chi); Planet::PhotonFlux<Scalar,std::vector<Scalar>, std::vector<std::vector<Scalar> > > photon(chapman); photon.set_photon_flux_top_atmosphere(lambda,phy1AU,Planet::Constants::Saturn::d_Sun<Scalar>()); //densities std::vector<Scalar> molar_frac = {0.96,0.04,0.,0.}; Scalar dens_tot(1e12); //diffusion Planet::BinaryDiffusion<Scalar> N2N2( Antioch::Species::N2, Antioch::Species::N2 , 5.09e+16,0.81, Planet::DiffusionType::Massman); Planet::BinaryDiffusion<Scalar> N2CH4( Antioch::Species::N2, Antioch::Species::CH4, 7.34e+16,0.75, Planet::DiffusionType::Massman); Planet::BinaryDiffusion<Scalar> CH4CH4( Antioch::Species::CH4, Antioch::Species::CH4, 5.73e+16,0.50, Planet::DiffusionType::Massman); //atmosphere Planet::Atmosphere<Scalar, std::vector<Scalar>, std::vector<std::vector<Scalar> > > atm(neutrals,ions,photon); atm.make_altitude_grid(600.,1400.,10.); //temperature std::vector<Scalar> T0,Tz; read_temperature<Scalar>(T0,Tz,"input/temperature.dat"); atm.set_temperature(T0,Tz); //cross-section std::vector<Scalar> sigma; read_crossSection<Scalar>(lambda,sigma,"./input/N2_hv_cross-sections.dat",3); atm.add_photoabsorption("N2",lambda,sigma); read_crossSection<Scalar>(lambda,sigma,"./input/CH4_hv_cross-sections.dat",9); atm.add_photoabsorption("N2",lambda,sigma); atm.add_photoabsorption("CH4",lambda,sigma); //init compo atm.init_composition(molar_frac,dens_tot); //diffusion atm.diffusion().set_binary_coefficient(0,0,N2N2); atm.diffusion().set_binary_coefficient(0,1,N2CH4); atm.diffusion().set_binary_coefficient(1,1,CH4CH4); atm.make_diffusion(); //thermal coefficient Scalar K0(4.3e6L); atm.set_K0(K0); atm.make_thermal_coefficient(); //solver Planet::CrankNicholson<Scalar,std::vector<Scalar>, std::vector<std::vector<Scalar> > > solver; int return_flag(0); return return_flag; }