/* * AbstractState.cpp * * Created on: 21 Dec 2013 * Author: jowr */ #ifndef _CRT_SECURE_NO_WARNINGS #define _CRT_SECURE_NO_WARNINGS #endif #include #include "math.h" #include "AbstractState.h" #include "DataStructures.h" #include "Backends/IF97/IF97Backend.h" #include "Backends/Cubics/CubicBackend.h" #include "Backends/Cubics/VTPRBackend.h" #include "Backends/Incompressible/IncompressibleBackend.h" #include "Backends/PCSAFT/PCSAFTBackend.h" #if !defined(NO_TABULAR_BACKENDS) #include "Backends/Tabular/TTSEBackend.h" #include "Backends/Tabular/BicubicBackend.h" #endif namespace CoolProp { /// This tiny class holds pointers to generators for the backends and can be used to look up /// generators at runtime. This class should be populated through the use of static initialized class BackendLibrary{ private: std::map > backends; public: void add_backend(const backend_families &bg, const shared_ptr &asg){ backends[bg] = asg; }; void get_generator_iterators(const backend_families &bg, std::map >::const_iterator &generator, std::map >::const_iterator &end){ generator = backends.find(bg); end = backends.end(); }; std::size_t size(){ return backends.size(); }; }; inline BackendLibrary & get_backend_library(){ static BackendLibrary the_library; return the_library; } void register_backend(const backend_families &bf, shared_ptr gen){ get_backend_library().add_backend(bf, gen); }; class IF97BackendGenerator : public AbstractStateGenerator{ public: AbstractState * get_AbstractState(const std::vector &fluid_names) { if (fluid_names.size() == 1) { // Check that fluid_names[0] has only one component std::string str = fluid_names[0]; // Check that the fluid name is an alias for "Water" if ((upper(str) == "WATER") || (upper(str) == "H2O")) { return new IF97Backend(); } else { throw ValueError(format("The IF97 backend returns Water props only; fluid name [%s] not allowed", fluid_names[0].c_str())); } } else { throw ValueError(format("The IF97 backend does not support mixtures, only Water")); }; }; } ; // This static initialization will cause the generator to register static GeneratorInitializer if97_gen(IF97_BACKEND_FAMILY); class SRKGenerator : public AbstractStateGenerator{ public: AbstractState * get_AbstractState(const std::vector &fluid_names){ return new SRKBackend(fluid_names, get_config_double(R_U_CODATA)); }; }; static GeneratorInitializer srk_gen(CoolProp::SRK_BACKEND_FAMILY); class PRGenerator : public AbstractStateGenerator{ public: AbstractState * get_AbstractState(const std::vector &fluid_names){ return new PengRobinsonBackend(fluid_names, get_config_double(R_U_CODATA)); }; }; static GeneratorInitializer pr_gen(CoolProp::PR_BACKEND_FAMILY); class IncompressibleBackendGenerator : public AbstractStateGenerator{ public: AbstractState * get_AbstractState(const std::vector &fluid_names){ if (fluid_names.size() != 1){throw ValueError(format("For INCOMP backend, name vector must be one element long"));} return new IncompressibleBackend(fluid_names[0]); }; }; // This static initialization will cause the generator to register static GeneratorInitializer incomp_gen(INCOMP_BACKEND_FAMILY); class VTPRGenerator : public CoolProp::AbstractStateGenerator{ public: CoolProp::AbstractState * get_AbstractState(const std::vector &fluid_names){ return new CoolProp::VTPRBackend(fluid_names, CoolProp::get_config_double(R_U_CODATA)); }; } ; // This static initialization will cause the generator to register static CoolProp::GeneratorInitializer vtpr_gen(CoolProp::VTPR_BACKEND_FAMILY); class PCSAFTGenerator : public CoolProp::AbstractStateGenerator{ public: CoolProp::AbstractState * get_AbstractState(const std::vector &fluid_names){ return new CoolProp::PCSAFTBackend(fluid_names); }; } ; // This static initialization will cause the generator to register static CoolProp::GeneratorInitializer pcsaft_gen(CoolProp::PCSAFT_BACKEND_FAMILY); AbstractState * AbstractState::factory(const std::string &backend, const std::vector &fluid_names) { if (get_debug_level() > 0){ std::cout << "AbstractState::factory(" << backend << "," << stringvec_to_string(fluid_names) << ")" << std::endl; } backend_families f1; std::string f2; extract_backend_families_string(backend, f1, f2); std::map >::const_iterator gen, end; get_backend_library().get_generator_iterators(f1, gen, end); if (get_debug_level() > 0){ std::cout << "AbstractState::factory backend_library size: " << get_backend_library().size() << std::endl; } if (gen != end){ // One of the registered backends was able to match the given backend family return gen->second->get_AbstractState(fluid_names); } #if !defined(NO_TABULAR_BACKENDS) else if (f1==TTSE_BACKEND_FAMILY) { // Will throw if there is a problem with this backend shared_ptr AS(factory(f2, fluid_names)); return new TTSEBackend(AS); } else if (f1==BICUBIC_BACKEND_FAMILY) { // Will throw if there is a problem with this backend shared_ptr AS(factory(f2, fluid_names)); return new BicubicBackend(AS); } #endif else if (!backend.compare("?") || backend.empty()) { std::size_t idel = fluid_names[0].find("::"); // Backend has not been specified, and we have to figure out what the backend is by parsing the string if (idel == std::string::npos) // No '::' found, no backend specified, try HEOS, otherwise a failure { // Figure out what backend to use return factory("HEOS", fluid_names); } else { // Split string at the '::' into two std::string, call again return factory(std::string(fluid_names[0].begin(), fluid_names[0].begin() + idel), std::string(fluid_names[0].begin()+(idel+2), fluid_names[0].end())); } } else { throw ValueError(format("Invalid backend name [%s] to factory function",backend.c_str())); } } std::vector AbstractState::fluid_names(void) { return calc_fluid_names(); } bool AbstractState::clear_comp_change(){ // Reset all instances of CachedElement and overwrite // the internal double values with -_HUGE this->_R = _HUGE; this->_gas_constant.clear(); this->_molar_mass.clear(); this->_critical.fill(_HUGE); this->_reducing.fill(_HUGE); return true; } bool AbstractState::clear() { // Reset all instances of CachedElement and overwrite // the internal double values with -_HUGE this->_R = _HUGE; this->_gas_constant.clear(); this->_molar_mass.clear(); /// Ancillary curve values this->_rhoLanc.clear(); this->_rhoVanc.clear(); this->_pVanc.clear(); this->_pLanc.clear(); this->_TVanc.clear(); this->_TLanc.clear(); this->_critical.fill(_HUGE); this->_reducing.fill(_HUGE); /// Bulk values this->_rhomolar = -_HUGE; this->_T = -_HUGE; this->_p = -_HUGE; this->_Q = -_HUGE; this->_tau.clear(); this->_delta.clear(); this->_umolar.clear(); this->_cpmolar.clear(); this->_cp0molar.clear(); this->_cvmolar.clear(); this->_speed_sound.clear(); this->_hmolar.clear(); this->_smolar.clear(); this->_gibbsmolar.clear(); this->_helmholtzmolar.clear(); this->_logp.clear(); this->_logrhomolar.clear(); this->_hmolar_excess.clear(); this->_smolar_excess.clear(); this->_gibbsmolar_excess.clear(); this->_volumemolar_excess.clear(); this->_umolar_excess.clear(); this->_helmholtzmolar_excess.clear(); this->_hmolar_residual.clear(); this->_smolar_residual.clear(); this->_gibbsmolar_residual.clear(); /// Smoothing values this->_rho_spline.clear(); this->_drho_spline_dh__constp.clear(); this->_drho_spline_dp__consth.clear(); /// Cached low-level elements for in-place calculation of other properties this->_alpha0.clear(); this->_dalpha0_dTau.clear(); this->_dalpha0_dDelta.clear(); this->_d2alpha0_dTau2.clear(); this->_d2alpha0_dDelta_dTau.clear(); this->_d2alpha0_dDelta2.clear(); this->_d3alpha0_dTau3.clear(); this->_d3alpha0_dDelta_dTau2.clear(); this->_d3alpha0_dDelta2_dTau.clear(); this->_d3alpha0_dDelta3.clear(); this->_alphar.clear(); this->_dalphar_dTau.clear(); this->_dalphar_dDelta.clear(); this->_d2alphar_dTau2.clear(); this->_d2alphar_dDelta_dTau.clear(); this->_d2alphar_dDelta2.clear(); this->_d3alphar_dTau3.clear(); this->_d3alphar_dDelta_dTau2.clear(); this->_d3alphar_dDelta2_dTau.clear(); this->_d3alphar_dDelta3.clear(); this->_dalphar_dDelta_lim.clear(); this->_d2alphar_dDelta2_lim.clear(); this->_d2alphar_dDelta_dTau_lim.clear(); this->_d3alphar_dDelta2_dTau_lim.clear(); /// Two-Phase variables this->_rhoLmolar.clear(); this->_rhoVmolar.clear(); /// Transport properties this->_viscosity.clear(); this->_conductivity.clear(); this->_surface_tension.clear(); return true; } void AbstractState::mass_to_molar_inputs(CoolProp::input_pairs &input_pair, CoolPropDbl &value1, CoolPropDbl &value2) { // Check if a mass based input, convert it to molar units switch (input_pair) { case DmassT_INPUTS: ///< Mass density in kg/m^3, Temperature in K //case HmassT_INPUTS: ///< Enthalpy in J/kg, Temperature in K (NOT CURRENTLY IMPLEMENTED) case SmassT_INPUTS: ///< Entropy in J/kg/K, Temperature in K //case TUmass_INPUTS: ///< Temperature in K, Internal energy in J/kg (NOT CURRENTLY IMPLEMENTED) case DmassP_INPUTS: ///< Mass density in kg/m^3, Pressure in Pa case DmassQ_INPUTS: ///< Mass density in kg/m^3, molar quality case HmassP_INPUTS: ///< Enthalpy in J/kg, Pressure in Pa case PSmass_INPUTS: ///< Pressure in Pa, Entropy in J/kg/K case PUmass_INPUTS: ///< Pressure in Pa, Internal energy in J/kg case HmassSmass_INPUTS: ///< Enthalpy in J/kg, Entropy in J/kg/K case SmassUmass_INPUTS: ///< Entropy in J/kg/K, Internal energy in J/kg case DmassHmass_INPUTS: ///< Mass density in kg/m^3, Enthalpy in J/kg case DmassSmass_INPUTS: ///< Mass density in kg/m^3, Entropy in J/kg/K case DmassUmass_INPUTS: ///< Mass density in kg/m^3, Internal energy in J/kg { // Set the cache value for the molar mass if it hasn't been set yet molar_mass(); // Molar mass (just for compactness of the following switch) CoolPropDbl mm = static_cast(_molar_mass); switch (input_pair) { case DmassT_INPUTS: input_pair = DmolarT_INPUTS; value1 /= mm; break; //case HmassT_INPUTS: input_pair = HmolarT_INPUTS; value1 *= mm; break; (NOT CURRENTLY IMPLEMENTED) case SmassT_INPUTS: input_pair = SmolarT_INPUTS; value1 *= mm; break; //case TUmass_INPUTS: input_pair = TUmolar_INPUTS; value2 *= mm; break; (NOT CURRENTLY IMPLEMENTED) case DmassP_INPUTS: input_pair = DmolarP_INPUTS; value1 /= mm; break; case DmassQ_INPUTS: input_pair = DmolarQ_INPUTS; value1 /= mm; break; case HmassP_INPUTS: input_pair = HmolarP_INPUTS; value1 *= mm; break; case PSmass_INPUTS: input_pair = PSmolar_INPUTS; value2 *= mm; break; case PUmass_INPUTS: input_pair = PUmolar_INPUTS; value2 *= mm; break; case HmassSmass_INPUTS: input_pair = HmolarSmolar_INPUTS; value1 *= mm; value2 *= mm; break; case SmassUmass_INPUTS: input_pair = SmolarUmolar_INPUTS; value1 *= mm; value2 *= mm; break; case DmassHmass_INPUTS: input_pair = DmolarHmolar_INPUTS; value1 /= mm; value2 *= mm; break; case DmassSmass_INPUTS: input_pair = DmolarSmolar_INPUTS; value1 /= mm; value2 *= mm; break; case DmassUmass_INPUTS: input_pair = DmolarUmolar_INPUTS; value1 /= mm; value2 *= mm; break; default: break; } break; } default: return; } } double AbstractState::trivial_keyed_output(parameters key) { if (get_debug_level()>=50) std::cout << format("AbstractState: trivial_keyed_output called for %s ",get_parameter_information(key,"short").c_str()) << std::endl; switch (key) { case imolar_mass: return molar_mass(); case iacentric_factor: return acentric_factor(); case igas_constant: return gas_constant(); case iT_min: return Tmin(); case iT_triple: return Ttriple(); case iT_max: return Tmax(); case iP_max: return pmax(); case iP_min: case iP_triple: return this->p_triple(); case iT_reducing: return calc_T_reducing(); case irhomolar_reducing: return calc_rhomolar_reducing(); case iP_reducing: return calc_p_reducing(); case iP_critical: return this->p_critical(); case iT_critical: return this->T_critical(); case irhomolar_critical: return this->rhomolar_critical(); case irhomass_critical: return this->rhomass_critical(); case iODP: return this->calc_ODP(); case iGWP100: return this->calc_GWP100(); case iGWP20: return this->calc_GWP20(); case iGWP500: return this->calc_GWP500(); case ifraction_min: return this->calc_fraction_min(); case ifraction_max: return this->calc_fraction_max(); case iT_freeze: return this->calc_T_freeze(); case iFH: return this->calc_flame_hazard(); case iHH: return this->calc_health_hazard(); case iPH: return this->calc_physical_hazard(); case idipole_moment: return this->calc_dipole_moment(); default: throw ValueError(format("This input [%d: \"%s\"] is not valid for trivial_keyed_output",key,get_parameter_information(key,"short").c_str())); } } double AbstractState::keyed_output(parameters key) { if (get_debug_level()>=50) std::cout << format("AbstractState: keyed_output called for %s ",get_parameter_information(key,"short").c_str()) << std::endl; // Handle trivial inputs if (is_trivial_parameter(key)) { return trivial_keyed_output(key); } switch (key) { case iQ: return Q(); case iT: return T(); case iP: return p(); case iDmolar: return rhomolar(); case iDmass: return rhomass(); case iHmolar: return hmolar(); case iHmolar_residual: return hmolar_residual(); case iHmass: return hmass(); case iSmolar: return smolar(); case iSmolar_residual: return smolar_residual(); case iSmass: return smass(); case iUmolar: return umolar(); case iUmass: return umass(); case iGmolar: return gibbsmolar(); case iGmolar_residual: return gibbsmolar_residual(); case iGmass: return gibbsmass(); case iHelmholtzmolar: return helmholtzmolar(); case iHelmholtzmass: return helmholtzmass(); case iCvmolar: return cvmolar(); case iCvmass: return cvmass(); case iCpmolar: return cpmolar(); case iCp0molar: return cp0molar(); case iCpmass: return cpmass(); case iCp0mass: return cp0mass(); case imolar_mass: return molar_mass(); case iT_reducing: return get_reducing_state().T; case irhomolar_reducing: return get_reducing_state().rhomolar; case ispeed_sound: return speed_sound(); case ialphar: return alphar(); case ialpha0: return alpha0(); case idalpha0_ddelta_consttau: return dalpha0_dDelta(); case idalpha0_dtau_constdelta: return dalpha0_dTau(); case idalphar_ddelta_consttau: return dalphar_dDelta(); case idalphar_dtau_constdelta: return dalphar_dTau(); case iBvirial: return Bvirial(); case idBvirial_dT: return dBvirial_dT(); case iCvirial: return Cvirial(); case idCvirial_dT: return dCvirial_dT(); case iisothermal_compressibility: return isothermal_compressibility(); case iisobaric_expansion_coefficient: return isobaric_expansion_coefficient(); case iisentropic_expansion_coefficient: return isentropic_expansion_coefficient(); case iviscosity: return viscosity(); case iconductivity: return conductivity(); case iPrandtl: return Prandtl(); case isurface_tension: return surface_tension(); case iPhase: return phase(); case iZ: return compressibility_factor(); case iPIP: return PIP(); case ifundamental_derivative_of_gas_dynamics: return fundamental_derivative_of_gas_dynamics(); default: throw ValueError(format("This input [%d: \"%s\"] is not valid for keyed_output",key,get_parameter_information(key,"short").c_str())); } } double AbstractState::tau(void){ if (!_tau) _tau = calc_reciprocal_reduced_temperature(); return _tau; } double AbstractState::delta(void){ if (!_delta) _delta = calc_reduced_density(); return _delta; } double AbstractState::Tmin(void){ return calc_Tmin(); } double AbstractState::Tmax(void){ return calc_Tmax(); } double AbstractState::Ttriple(void){ return calc_Ttriple(); } double AbstractState::pmax(void){ return calc_pmax(); } double AbstractState::T_critical(void){ return calc_T_critical(); } double AbstractState::T_reducing(void){ if (!ValidNumber(_reducing.T)){ calc_reducing_state(); } return _reducing.T; } double AbstractState::p_critical(void){ return calc_p_critical(); } double AbstractState::p_triple(void){ return calc_p_triple(); } double AbstractState::rhomolar_critical(void){ return calc_rhomolar_critical(); } double AbstractState::rhomass_critical(void){ return calc_rhomolar_critical()*molar_mass(); } double AbstractState::rhomolar_reducing(void){ if (!ValidNumber(_reducing.rhomolar)){ calc_reducing_state(); } return _reducing.rhomolar; } double AbstractState::rhomass_reducing(void){ return rhomolar_reducing()*molar_mass(); } double AbstractState::hmolar(void){ if (!_hmolar) _hmolar = calc_hmolar(); return _hmolar; } double AbstractState::hmolar_residual(void){ if (!_hmolar_residual) _hmolar_residual = calc_hmolar_residual(); return _hmolar_residual; } double AbstractState::hmolar_excess(void) { if (!_hmolar_excess) calc_excess_properties(); return _hmolar_excess; } double AbstractState::smolar(void){ if (!_smolar) _smolar = calc_smolar(); return _smolar; } double AbstractState::smolar_residual(void){ if (!_smolar_residual) _smolar_residual = calc_smolar_residual(); return _smolar_residual; } double AbstractState::smolar_excess(void) { if (!_smolar_excess) calc_excess_properties(); return _smolar_excess; } double AbstractState::umolar(void){ if (!_umolar) _umolar = calc_umolar(); return _umolar; } double AbstractState::umolar_excess(void) { if (!_umolar_excess) calc_excess_properties(); return _umolar_excess; } double AbstractState::gibbsmolar(void){ if (!_gibbsmolar) _gibbsmolar = calc_gibbsmolar(); return _gibbsmolar; } double AbstractState::gibbsmolar_residual(void){ if (!_gibbsmolar_residual) _gibbsmolar_residual = calc_gibbsmolar_residual(); return _gibbsmolar_residual; } double AbstractState::gibbsmolar_excess(void) { if (!_gibbsmolar_excess) calc_excess_properties(); return _gibbsmolar_excess; } double AbstractState::helmholtzmolar(void){ if (!_helmholtzmolar) _helmholtzmolar = calc_helmholtzmolar(); return _helmholtzmolar; } double AbstractState::helmholtzmolar_excess(void) { if (!_helmholtzmolar_excess) calc_excess_properties(); return _helmholtzmolar_excess; } double AbstractState::volumemolar_excess(void) { if (!_volumemolar_excess) calc_excess_properties(); return _volumemolar_excess; } double AbstractState::cpmolar(void){ if (!_cpmolar) _cpmolar = calc_cpmolar(); return _cpmolar; } double AbstractState::cp0molar(void){ return calc_cpmolar_idealgas(); } double AbstractState::cvmolar(void){ if (!_cvmolar) _cvmolar = calc_cvmolar(); return _cvmolar; } double AbstractState::speed_sound(void){ if (!_speed_sound) _speed_sound = calc_speed_sound(); return _speed_sound; } double AbstractState::viscosity(void){ if (!_viscosity) _viscosity = calc_viscosity(); return _viscosity; } double AbstractState::conductivity(void){ if (!_conductivity) _conductivity = calc_conductivity(); return _conductivity; } double AbstractState::melting_line(int param, int given, double value){ return calc_melting_line(param, given, value); } double AbstractState::acentric_factor(){ return calc_acentric_factor(); } double AbstractState::saturation_ancillary(parameters param, int Q, parameters given, double value){ return calc_saturation_ancillary(param, Q, given, value); } double AbstractState::surface_tension(void){ if (!_surface_tension) _surface_tension = calc_surface_tension(); return _surface_tension; } double AbstractState::molar_mass(void){ if (!_molar_mass) _molar_mass = calc_molar_mass(); return _molar_mass; } double AbstractState::gas_constant(void){ if (!_gas_constant) _gas_constant = calc_gas_constant(); return _gas_constant; } double AbstractState::fugacity_coefficient(std::size_t i){ // TODO: Cache the fug. coeff for each component return calc_fugacity_coefficient(i); } std::vector AbstractState::fugacity_coefficients(){ // TODO: Cache the fug. coeff for each component return calc_fugacity_coefficients(); } double AbstractState::fugacity(std::size_t i){ // TODO: Cache the fug. coeff for each component return calc_fugacity(i); } double AbstractState::chemical_potential(std::size_t i) { // TODO: Cache the chemical potential for each component return calc_chemical_potential(i); } void AbstractState::build_phase_envelope(const std::string &type) { calc_phase_envelope(type); } double AbstractState::isothermal_compressibility(void){ return 1.0/_rhomolar*first_partial_deriv(iDmolar, iP, iT); } double AbstractState::isobaric_expansion_coefficient(void){ return -1.0/_rhomolar*first_partial_deriv(iDmolar, iT, iP); } double AbstractState::isentropic_expansion_coefficient(void) { return _rhomolar/_p*first_partial_deriv(iP, iDmolar, iSmolar); } double AbstractState::Bvirial(void){ return calc_Bvirial(); } double AbstractState::Cvirial(void){ return calc_Cvirial(); } double AbstractState::dBvirial_dT(void){ return calc_dBvirial_dT(); } double AbstractState::dCvirial_dT(void){ return calc_dCvirial_dT(); } double AbstractState::compressibility_factor(void){ return calc_compressibility_factor(); } double AbstractState::fundamental_derivative_of_gas_dynamics() { // See Colonna, FPE, 2010, Eq. 1 return 1 + this->second_partial_deriv(iP, iDmass, iSmolar, iDmass, iSmolar)*this->rhomass()/(2*powInt(speed_sound(), 2)); }; // Get the derivatives of the parameters in the partial derivative with respect to T and rho void get_dT_drho(AbstractState &AS, parameters index, CoolPropDbl &dT, CoolPropDbl &drho) { CoolPropDbl T = AS.T(), rho = AS.rhomolar(), rhor = AS.rhomolar_reducing(), Tr = AS.T_reducing(), dT_dtau = -pow(T, 2)/Tr, R = AS.gas_constant(), delta = rho/rhor, tau = Tr/T; switch (index) { case iT: dT = 1; drho = 0; break; case iDmolar: dT = 0; drho = 1; break; case iDmass: dT = 0; drho = AS.molar_mass(); break; case iP: { // dp/drho|T drho = R*T*(1+2*delta*AS.dalphar_dDelta()+pow(delta, 2)*AS.d2alphar_dDelta2()); // dp/dT|rho dT = rho*R*(1+delta*AS.dalphar_dDelta() - tau*delta*AS.d2alphar_dDelta_dTau()); break; } case iHmass: case iHmolar: { // dh/dT|rho dT = R*(-pow(tau,2)*(AS.d2alpha0_dTau2()+AS.d2alphar_dTau2()) + (1+delta*AS.dalphar_dDelta()-tau*delta*AS.d2alphar_dDelta_dTau())); // dh/drhomolar|T drho = T*R/rho*(tau*delta*AS.d2alphar_dDelta_dTau()+delta*AS.dalphar_dDelta()+pow(delta,2)*AS.d2alphar_dDelta2()); if (index == iHmass){ // dhmolar/drhomolar|T * dhmass/dhmolar where dhmass/dhmolar = 1/mole mass drho /= AS.molar_mass(); dT /= AS.molar_mass(); } break; } case iSmass: case iSmolar: { // ds/dT|rho dT = R/T*(-pow(tau,2)*(AS.d2alpha0_dTau2()+AS.d2alphar_dTau2())); // ds/drho|T drho = R/rho*(-(1+delta*AS.dalphar_dDelta()-tau*delta*AS.d2alphar_dDelta_dTau())); if (index == iSmass){ // ds/drho|T / drhomass/drhomolar where drhomass/drhomolar = mole mass drho /= AS.molar_mass(); dT /= AS.molar_mass(); } break; } case iUmass: case iUmolar: { // du/dT|rho dT = R*(-pow(tau,2)*(AS.d2alpha0_dTau2()+AS.d2alphar_dTau2())); // du/drho|T drho = AS.T()*R/rho*(tau*delta*AS.d2alphar_dDelta_dTau()); if (index == iUmass){ // du/drho|T / drhomass/drhomolar where drhomass/drhomolar = mole mass drho /= AS.molar_mass(); dT /= AS.molar_mass(); } break; } case iGmass: case iGmolar: { // dg/dT|rho double dTau_dT = 1/dT_dtau; dT = R*AS.T()*(AS.dalpha0_dTau()+AS.dalphar_dTau()+AS.delta()*AS.d2alphar_dDelta_dTau())*dTau_dT + R*(1+AS.alpha0() + AS.alphar() + AS.delta()*AS.dalphar_dDelta()); // dg/drho|T double dDelta_drho = 1/rhor; drho = AS.T()*R*(AS.dalpha0_dDelta()+AS.dalphar_dDelta()+AS.delta()*AS.d2alphar_dDelta2() + AS.dalphar_dDelta())*dDelta_drho; if (index == iGmass){ // dg/drho|T / drhomass/drhomolar where drhomass/drhomolar = mole mass drho /= AS.molar_mass(); dT /= AS.molar_mass(); } break; } case iTau: dT = 1/dT_dtau; drho = 0; break; case iDelta: dT = 0; drho = 1/rhor; break; case iCvmolar: case iCvmass: { // use the second order derivative of internal energy // make it cleaner by using the function get_dT_drho_second_derivatives directly? // dcvdT|rho = d2u/dT2|rho dT = R/T*pow(tau, 2)*(tau*(AS.d3alpha0_dTau3()+AS.d3alphar_dTau3())+2*(AS.d2alpha0_dTau2()+AS.d2alphar_dTau2())); // dcvdrho|T = d2u/dT/drho drho = R/rho*(-pow(tau,2)*delta*AS.d3alphar_dDelta_dTau2()); if (index == iCvmass){ drho /= AS.molar_mass(); dT /= AS.molar_mass(); } break; } case iCpmolar: case iCpmass: { // dcp/dT|rho = d2h/dT2 + dh/drho * dP/dT * d2P/drhodT / ( dp/drho )^2 - ( d2h/dTdrho * dP/dT + dh/drho * d2P/dT2 ) / ( dP/drho ) dT = R/T*pow(tau, 2)*(tau*(AS.d3alpha0_dTau3()+AS.d3alphar_dTau3()) + 2*(AS.d2alpha0_dTau2()+AS.d2alphar_dTau2()) + delta*AS.d3alphar_dDelta_dTau2()); dT += (T*R/rho*(tau*delta*AS.d2alphar_dDelta_dTau()+delta*AS.dalphar_dDelta()+pow(delta,2)*AS.d2alphar_dDelta2())) * (rho*R*(1+delta*AS.dalphar_dDelta() - tau*delta*AS.d2alphar_dDelta_dTau())) * (R*(1+2*delta*AS.dalphar_dDelta() +pow(delta,2)*AS.d2alphar_dDelta2() - 2*delta*tau*AS.d2alphar_dDelta_dTau() - tau*pow(delta, 2)*AS.d3alphar_dDelta2_dTau())) / pow(R*T*(1+2*delta*AS.dalphar_dDelta()+pow(delta, 2)*AS.d2alphar_dDelta2()), 2); dT -= ((R/rho*delta*(delta*AS.d2alphar_dDelta2() - pow(tau,2)*AS.d3alphar_dDelta_dTau2() + AS.dalphar_dDelta() - tau*delta*AS.d3alphar_dDelta2_dTau() - tau*AS.d2alphar_dDelta_dTau())) * (rho*R*(1+delta*AS.dalphar_dDelta() - tau*delta*AS.d2alphar_dDelta_dTau())) + (T*R/rho*(tau*delta*AS.d2alphar_dDelta_dTau()+delta*AS.dalphar_dDelta()+pow(delta,2)*AS.d2alphar_dDelta2())) * (rho*R/T*(pow(tau,2)*delta*AS.d3alphar_dDelta_dTau2()))) / (R*T*(1+2*delta*AS.dalphar_dDelta()+pow(delta, 2)*AS.d2alphar_dDelta2())); // dcpdrho|T = d2h/dTdrho + dh/drho * dP/dT * d2P/drho2 / ( dp/drho )^2 - ( d2h/drho2 * dP/dT + dh/drho * d2P/dTdrho ) / ( dP/drho ) drho = R/rho*delta*(delta*AS.d2alphar_dDelta2() - pow(tau,2)*AS.d3alphar_dDelta_dTau2() + AS.dalphar_dDelta() - tau*delta*AS.d3alphar_dDelta2_dTau() - tau*AS.d2alphar_dDelta_dTau()); //d2h/dTdrho drho += (T*R/rho*(tau*delta*AS.d2alphar_dDelta_dTau()+delta*AS.dalphar_dDelta()+pow(delta,2)*AS.d2alphar_dDelta2())) * (rho*R*(1+delta*AS.dalphar_dDelta() - tau*delta*AS.d2alphar_dDelta_dTau())) * (T*R/rho*(2*delta*AS.dalphar_dDelta()+4*pow(delta,2)*AS.d2alphar_dDelta2()+pow(delta,3)*AS.d3alphar_dDelta3())) / pow(R*T*(1+2*delta*AS.dalphar_dDelta()+pow(delta, 2)*AS.d2alphar_dDelta2()), 2); drho -= ((R*T*pow(delta/rho,2)*(tau*AS.d3alphar_dDelta2_dTau() + 2*AS.d2alphar_dDelta2() + delta*AS.d3alphar_dDelta3())) * (rho*R*(1+delta*AS.dalphar_dDelta() - tau*delta*AS.d2alphar_dDelta_dTau())) + (T*R/rho*(tau*delta*AS.d2alphar_dDelta_dTau()+delta*AS.dalphar_dDelta()+pow(delta,2)*AS.d2alphar_dDelta2())) * (R*(1+2*delta*AS.dalphar_dDelta() +pow(delta,2)*AS.d2alphar_dDelta2() - 2*delta*tau*AS.d2alphar_dDelta_dTau() - tau*pow(delta, 2)*AS.d3alphar_dDelta2_dTau()))) / (R*T*(1+2*delta*AS.dalphar_dDelta()+pow(delta, 2)*AS.d2alphar_dDelta2())); if (index == iCpmass){ drho /= AS.molar_mass(); dT /= AS.molar_mass(); } break; } case ispeed_sound: { //dwdT double aa = 1.0+delta*AS.dalphar_dDelta()-delta*tau*AS.d2alphar_dDelta_dTau(); double bb = pow(tau, 2)*(AS.d2alpha0_dTau2()+AS.d2alphar_dTau2()); double daa_dTau = -delta*tau*AS.d3alphar_dDelta_dTau2(); double dbb_dTau = pow(tau, 2)*(AS.d3alpha0_dTau3()+AS.d3alphar_dTau3())+2.0*tau*(AS.d2alpha0_dTau2()+AS.d2alphar_dTau2()); double w = AS.speed_sound(); dT = 1.0/2.0/w/T*(pow(w, 2)-R*Tr/AS.molar_mass()*(2.0*delta*AS.d2alphar_dDelta_dTau()+pow(delta, 2)*AS.d3alphar_dDelta2_dTau()-(2*aa/bb*daa_dTau-pow(aa/bb, 2)*dbb_dTau))); //dwdrho double daa_dDelta = AS.dalphar_dDelta()+delta*AS.d2alphar_dDelta2()-tau*(AS.d2alphar_dDelta_dTau()+delta*AS.d3alphar_dDelta2_dTau()); double dbb_dDelta = pow(tau, 2)*(AS.d3alpha0_dDelta_dTau2()+AS.d3alphar_dDelta_dTau2()); drho = R*T/2.0/AS.molar_mass()/w/rhor*(2.0*(AS.dalphar_dDelta()+delta*AS.d2alphar_dDelta2())+(2.0*delta*AS.d2alphar_dDelta2()+pow(delta, 2)*AS.d3alphar_dDelta3())-(2*aa/bb*daa_dDelta-pow(aa/bb, 2)*dbb_dDelta)); break; } default: throw ValueError(format("input to get_dT_drho[%s] is invalid",get_parameter_information(index,"short").c_str())); } } void get_dT_drho_second_derivatives(AbstractState &AS, int index, CoolPropDbl &dT2, CoolPropDbl &drho_dT, CoolPropDbl &drho2) { CoolPropDbl T = AS.T(), rho = AS.rhomolar(), rhor = AS.rhomolar_reducing(), Tr = AS.T_reducing(), R = AS.gas_constant(), delta = rho/rhor, tau = Tr/T; // Here we use T and rho as independent variables since derivations are already done by Thorade, 2013, // Partial derivatives of thermodynamic state propertiesfor dynamic simulation, DOI 10.1007/s12665-013-2394-z switch (index) { case iT: case iDmass: case iDmolar: dT2 = 0; // d2rhomolar_dtau2 drho2 = 0; drho_dT = 0; break; case iTau: dT2 = 2*Tr/pow(T,3); drho_dT = 0; drho2 = 0; break; case iDelta: dT2 = 0; drho_dT = 0; drho2 = 0; break; case iP: { drho2 = T*R/rho*(2*delta*AS.dalphar_dDelta()+4*pow(delta,2)*AS.d2alphar_dDelta2()+pow(delta,3)*AS.d3alphar_dDelta3()); dT2 = rho*R/T*(pow(tau,2)*delta*AS.d3alphar_dDelta_dTau2()); drho_dT = R*(1+2*delta*AS.dalphar_dDelta() +pow(delta,2)*AS.d2alphar_dDelta2() - 2*delta*tau*AS.d2alphar_dDelta_dTau() - tau*pow(delta, 2)*AS.d3alphar_dDelta2_dTau()); break; } case iHmass: case iHmolar: { // d2h/drho2|T drho2 = R*T*pow(delta/rho,2)*(tau*AS.d3alphar_dDelta2_dTau() + 2*AS.d2alphar_dDelta2() + delta*AS.d3alphar_dDelta3()); // d2h/dT2|rho dT2 = R/T*pow(tau, 2)*(tau*(AS.d3alpha0_dTau3()+AS.d3alphar_dTau3()) + 2*(AS.d2alpha0_dTau2()+AS.d2alphar_dTau2()) + delta*AS.d3alphar_dDelta_dTau2()); // d2h/drho/dT drho_dT = R/rho*delta*(delta*AS.d2alphar_dDelta2() - pow(tau,2)*AS.d3alphar_dDelta_dTau2() + AS.dalphar_dDelta() - tau*delta*AS.d3alphar_dDelta2_dTau() - tau*AS.d2alphar_dDelta_dTau()); if (index == iHmass){ drho2 /= AS.molar_mass(); drho_dT /= AS.molar_mass(); dT2 /= AS.molar_mass(); } break; } case iSmass: case iSmolar: { // d2s/rho2|T drho2 = R/pow(rho,2)*(1-pow(delta,2)*AS.d2alphar_dDelta2() + tau*pow(delta,2)*AS.d3alphar_dDelta2_dTau()); // d2s/dT2|rho dT2 = R*pow(tau/T, 2)*(tau*(AS.d3alpha0_dTau3()+AS.d3alphar_dTau3())+3*(AS.d2alpha0_dTau2()+AS.d2alphar_dTau2())); // d2s/drho/dT drho_dT = R/(T*rho)*(-pow(tau,2)*delta*AS.d3alphar_dDelta_dTau2()); if (index == iSmass){ drho2 /= AS.molar_mass(); drho_dT /= AS.molar_mass(); dT2 /= AS.molar_mass(); } break; } case iUmass: case iUmolar: { // d2u/rho2|T drho2 = R*T*tau*pow(delta/rho,2)*AS.d3alphar_dDelta2_dTau(); // d2u/dT2|rho dT2 = R/T*pow(tau, 2)*(tau*(AS.d3alpha0_dTau3()+AS.d3alphar_dTau3())+2*(AS.d2alpha0_dTau2()+AS.d2alphar_dTau2())); // d2u/drho/dT drho_dT = R/rho*(-pow(tau,2)*delta*AS.d3alphar_dDelta_dTau2()); if (index == iUmass){ drho2 /= AS.molar_mass(); drho_dT /= AS.molar_mass(); dT2 /= AS.molar_mass(); } break; } default: throw ValueError(format("input to get_dT_drho_second_derivatives[%s] is invalid", get_parameter_information(index,"short").c_str())); } } CoolPropDbl AbstractState::calc_first_partial_deriv(parameters Of, parameters Wrt, parameters Constant) { CoolPropDbl dOf_dT, dOf_drho, dWrt_dT, dWrt_drho, dConstant_dT, dConstant_drho; get_dT_drho(*this, Of, dOf_dT, dOf_drho); get_dT_drho(*this, Wrt, dWrt_dT, dWrt_drho); get_dT_drho(*this, Constant, dConstant_dT, dConstant_drho); return (dOf_dT*dConstant_drho-dOf_drho*dConstant_dT)/(dWrt_dT*dConstant_drho-dWrt_drho*dConstant_dT); } CoolPropDbl AbstractState::calc_second_partial_deriv(parameters Of1, parameters Wrt1, parameters Constant1, parameters Wrt2, parameters Constant2) { CoolPropDbl dOf1_dT, dOf1_drho, dWrt1_dT, dWrt1_drho, dConstant1_dT, dConstant1_drho, d2Of1_dT2, d2Of1_drhodT, d2Of1_drho2, d2Wrt1_dT2, d2Wrt1_drhodT, d2Wrt1_drho2, d2Constant1_dT2, d2Constant1_drhodT, d2Constant1_drho2, dWrt2_dT, dWrt2_drho, dConstant2_dT, dConstant2_drho, N, D, dNdrho__T, dDdrho__T, dNdT__rho, dDdT__rho, dderiv1_drho, dderiv1_dT, second; // First and second partials needed for terms involved in first derivative get_dT_drho(*this, Of1, dOf1_dT, dOf1_drho); get_dT_drho(*this, Wrt1, dWrt1_dT, dWrt1_drho); get_dT_drho(*this, Constant1, dConstant1_dT, dConstant1_drho); get_dT_drho_second_derivatives(*this, Of1, d2Of1_dT2, d2Of1_drhodT, d2Of1_drho2); get_dT_drho_second_derivatives(*this, Wrt1, d2Wrt1_dT2, d2Wrt1_drhodT, d2Wrt1_drho2); get_dT_drho_second_derivatives(*this, Constant1, d2Constant1_dT2, d2Constant1_drhodT, d2Constant1_drho2); // First derivatives of terms involved in the second derivative get_dT_drho(*this, Wrt2, dWrt2_dT, dWrt2_drho); get_dT_drho(*this, Constant2, dConstant2_dT, dConstant2_drho); // Numerator and denominator of first partial derivative term N = dOf1_dT*dConstant1_drho - dOf1_drho*dConstant1_dT; D = dWrt1_dT*dConstant1_drho - dWrt1_drho*dConstant1_dT; // Derivatives of the numerator and denominator of the first partial derivative term with respect to rho, T held constant // They are of similar form, with Of1 and Wrt1 swapped dNdrho__T = dOf1_dT*d2Constant1_drho2 + d2Of1_drhodT*dConstant1_drho - dOf1_drho*d2Constant1_drhodT - d2Of1_drho2*dConstant1_dT; dDdrho__T = dWrt1_dT*d2Constant1_drho2 + d2Wrt1_drhodT*dConstant1_drho - dWrt1_drho*d2Constant1_drhodT - d2Wrt1_drho2*dConstant1_dT; // Derivatives of the numerator and denominator of the first partial derivative term with respect to T, rho held constant // They are of similar form, with Of1 and Wrt1 swapped dNdT__rho = dOf1_dT*d2Constant1_drhodT + d2Of1_dT2*dConstant1_drho - dOf1_drho*d2Constant1_dT2 - d2Of1_drhodT*dConstant1_dT; dDdT__rho = dWrt1_dT*d2Constant1_drhodT + d2Wrt1_dT2*dConstant1_drho - dWrt1_drho*d2Constant1_dT2 - d2Wrt1_drhodT*dConstant1_dT; // First partial of first derivative term with respect to T dderiv1_drho = (D*dNdrho__T - N*dDdrho__T)/pow(D, 2); // First partial of first derivative term with respect to rho dderiv1_dT = (D*dNdT__rho - N*dDdT__rho)/pow(D, 2); // Complete second derivative second = (dderiv1_dT*dConstant2_drho - dderiv1_drho*dConstant2_dT)/(dWrt2_dT*dConstant2_drho - dWrt2_drho*dConstant2_dT); return second; } // // ---------------------------------------- // // Smoothing functions for density // // ---------------------------------------- // /// A smoothed version of the derivative using a spline curve in the region of x=0 to x=xend // virtual double AbstractState::drhodh_constp_smoothed(double xend); // /// A smoothed version of the derivative using a spline curve in the region of x=0 to x=xend // virtual double AbstractState::drhodp_consth_smoothed(double xend); // /// Density corresponding to the smoothed derivatives in the region of x=0 to x=xend // virtual void AbstractState::rho_smoothed(double xend, double *rho_spline, double *dsplinedh, double *dsplinedp); } /* namespace CoolProp */ #ifdef ENABLE_CATCH #include "catch.hpp" TEST_CASE("Check AbstractState","[AbstractState]") { SECTION("bad backend") { CHECK_THROWS(shared_ptr(CoolProp::AbstractState::factory("DEFINITELY_A_BAD_BACKEND", "Water"))); } SECTION("good backend - bad fluid") { CHECK_THROWS(shared_ptr(CoolProp::AbstractState::factory("HEOS", "DEFINITELY_A_BAD_FLUID"))); } SECTION("good backend - helmholtz") { CHECK_NOTHROW(shared_ptr(CoolProp::AbstractState::factory("HEOS", "Water"))); } SECTION("good backend - incomp") { CHECK_NOTHROW(shared_ptr(CoolProp::AbstractState::factory("INCOMP", "DEB"))); } SECTION("good backend - REFPROP") { CHECK_NOTHROW(shared_ptr(CoolProp::AbstractState::factory("REFPROP", "Water"))); } } TEST_CASE("Check derivatives in first_partial_deriv","[derivs_in_first_partial_deriv]") { shared_ptr Water(CoolProp::AbstractState::factory("HEOS", "Water")); shared_ptr WaterplusT(CoolProp::AbstractState::factory("HEOS", "Water")); shared_ptr WaterminusT(CoolProp::AbstractState::factory("HEOS", "Water")); shared_ptr Waterplusrho(CoolProp::AbstractState::factory("HEOS", "Water")); shared_ptr Waterminusrho(CoolProp::AbstractState::factory("HEOS", "Water")); double dT = 1e-3, drho = 1; Water->update(CoolProp::PT_INPUTS, 101325, 300); WaterplusT->update(CoolProp::DmolarT_INPUTS, Water->rhomolar(), 300+dT); WaterminusT->update(CoolProp::DmolarT_INPUTS, Water->rhomolar(), 300-dT); Waterplusrho->update(CoolProp::DmolarT_INPUTS, Water->rhomolar()+drho, 300); Waterminusrho->update(CoolProp::DmolarT_INPUTS, Water->rhomolar()-drho, 300); // Numerical derivatives CoolPropDbl dP_dT_num = (WaterplusT->p() - WaterminusT->p())/(2*dT); CoolPropDbl dP_drho_num = (Waterplusrho->p() - Waterminusrho->p())/(2*drho); CoolPropDbl dHmolar_dT_num = (WaterplusT->hmolar() - WaterminusT->hmolar())/(2*dT); CoolPropDbl dHmolar_drho_num = (Waterplusrho->hmolar() - Waterminusrho->hmolar())/(2*drho); CoolPropDbl dHmass_dT_num = (WaterplusT->hmass() - WaterminusT->hmass())/(2*dT); CoolPropDbl dHmass_drho_num = (Waterplusrho->hmass() - Waterminusrho->hmass())/(2*drho); CoolPropDbl dSmolar_dT_num = (WaterplusT->smolar() - WaterminusT->smolar())/(2*dT); CoolPropDbl dSmolar_drho_num = (Waterplusrho->smolar() - Waterminusrho->smolar())/(2*drho); CoolPropDbl dSmass_dT_num = (WaterplusT->smass() - WaterminusT->smass())/(2*dT); CoolPropDbl dSmass_drho_num = (Waterplusrho->smass() - Waterminusrho->smass())/(2*drho); CoolPropDbl dUmolar_dT_num = (WaterplusT->umolar() - WaterminusT->umolar())/(2*dT); CoolPropDbl dUmolar_drho_num = (Waterplusrho->umolar() - Waterminusrho->umolar())/(2*drho); CoolPropDbl dUmass_dT_num = (WaterplusT->umass() - WaterminusT->umass())/(2*dT); CoolPropDbl dUmass_drho_num = (Waterplusrho->umass() - Waterminusrho->umass())/(2*drho); CoolPropDbl dGmolar_dT_num = (WaterplusT->gibbsmolar() - WaterminusT->gibbsmolar())/(2*dT); CoolPropDbl dGmolar_drho_num = (Waterplusrho->gibbsmolar() - Waterminusrho->gibbsmolar())/(2*drho); CoolPropDbl dGmass_dT_num = (WaterplusT->gibbsmass() - WaterminusT->gibbsmass())/(2*dT); CoolPropDbl dGmass_drho_num = (Waterplusrho->gibbsmass() - Waterminusrho->gibbsmass())/(2*drho); CoolPropDbl dCvmolar_dT_num = (WaterplusT->cvmolar() - WaterminusT->cvmolar())/(2*dT); CoolPropDbl dCvmolar_drho_num = (Waterplusrho->cvmolar() - Waterminusrho->cvmolar())/(2*drho); CoolPropDbl dCvmass_dT_num = (WaterplusT->cvmass() - WaterminusT->cvmass())/(2*dT); CoolPropDbl dCvmass_drho_num = (Waterplusrho->cvmass() - Waterminusrho->cvmass())/(2*drho); CoolPropDbl dCpmolar_dT_num = (WaterplusT->cpmolar() - WaterminusT->cpmolar())/(2*dT); CoolPropDbl dCpmolar_drho_num = (Waterplusrho->cpmolar() - Waterminusrho->cpmolar())/(2*drho); CoolPropDbl dCpmass_dT_num = (WaterplusT->cpmass() - WaterminusT->cpmass())/(2*dT); CoolPropDbl dCpmass_drho_num = (Waterplusrho->cpmass() - Waterminusrho->cpmass())/(2*drho); CoolPropDbl dspeed_sound_dT_num = (WaterplusT->speed_sound() - WaterminusT->speed_sound())/(2*dT); CoolPropDbl dspeed_sound_drho_num = (Waterplusrho->speed_sound() - Waterminusrho->speed_sound())/(2*drho); // Pressure CoolPropDbl dP_dT_analyt, dP_drho_analyt; CoolProp::get_dT_drho(*Water, CoolProp::iP, dP_dT_analyt, dP_drho_analyt); // Enthalpy CoolPropDbl dHmolar_dT_analyt, dHmolar_drho_analyt; CoolProp::get_dT_drho(*Water, CoolProp::iHmolar, dHmolar_dT_analyt, dHmolar_drho_analyt); CoolPropDbl dHmass_dT_analyt, dHmass_drho_analyt; CoolProp::get_dT_drho(*Water, CoolProp::iHmass, dHmass_dT_analyt, dHmass_drho_analyt); // Entropy CoolPropDbl dSmolar_dT_analyt, dSmolar_drho_analyt; CoolProp::get_dT_drho(*Water, CoolProp::iSmolar, dSmolar_dT_analyt, dSmolar_drho_analyt); CoolPropDbl dSmass_dT_analyt, dSmass_drho_analyt; CoolProp::get_dT_drho(*Water, CoolProp::iSmass, dSmass_dT_analyt, dSmass_drho_analyt); // Internal energy CoolPropDbl dUmolar_dT_analyt, dUmolar_drho_analyt; CoolProp::get_dT_drho(*Water, CoolProp::iUmolar, dUmolar_dT_analyt, dUmolar_drho_analyt); CoolPropDbl dUmass_dT_analyt, dUmass_drho_analyt; CoolProp::get_dT_drho(*Water, CoolProp::iUmass, dUmass_dT_analyt, dUmass_drho_analyt); // Gibbs CoolPropDbl dGmolar_dT_analyt, dGmolar_drho_analyt; CoolProp::get_dT_drho(*Water, CoolProp::iGmolar, dGmolar_dT_analyt, dGmolar_drho_analyt); CoolPropDbl dGmass_dT_analyt, dGmass_drho_analyt; CoolProp::get_dT_drho(*Water, CoolProp::iGmass, dGmass_dT_analyt, dGmass_drho_analyt); // Isochoric heat capacity CoolPropDbl dCvmolar_dT_analyt, dCvmolar_drho_analyt; CoolProp::get_dT_drho(*Water, CoolProp::iCvmolar, dCvmolar_dT_analyt, dCvmolar_drho_analyt); CoolPropDbl dCvmass_dT_analyt, dCvmass_drho_analyt; CoolProp::get_dT_drho(*Water, CoolProp::iCvmass, dCvmass_dT_analyt, dCvmass_drho_analyt); // Isobaric heat capacity CoolPropDbl dCpmolar_dT_analyt, dCpmolar_drho_analyt; CoolProp::get_dT_drho(*Water, CoolProp::iCpmolar, dCpmolar_dT_analyt, dCpmolar_drho_analyt); CoolPropDbl dCpmass_dT_analyt, dCpmass_drho_analyt; CoolProp::get_dT_drho(*Water, CoolProp::iCpmass, dCpmass_dT_analyt, dCpmass_drho_analyt); // Speed of sound CoolPropDbl dspeed_sound_dT_analyt, dspeed_sound_drho_analyt; CoolProp::get_dT_drho(*Water, CoolProp::ispeed_sound, dspeed_sound_dT_analyt, dspeed_sound_drho_analyt); double eps = 1e-3; CHECK( std::abs(dP_dT_analyt/dP_dT_num-1) < eps); CHECK( std::abs(dP_drho_analyt/dP_drho_num-1) < eps); CHECK( std::abs(dHmolar_dT_analyt/dHmolar_dT_num-1) < eps); CHECK( std::abs(dHmolar_drho_analyt/dHmolar_drho_num-1) < eps); CHECK( std::abs(dHmass_dT_analyt/dHmass_dT_num-1) < eps); CHECK( std::abs(dHmass_drho_analyt/dHmass_drho_num-1) < eps); CHECK( std::abs(dSmolar_dT_analyt/dSmolar_dT_num-1) < eps); CHECK( std::abs(dSmolar_drho_analyt/dSmolar_drho_num-1) < eps); CHECK( std::abs(dSmass_dT_analyt/dSmass_dT_num-1) < eps); CHECK( std::abs(dSmass_drho_analyt/dSmass_drho_num-1) < eps); CHECK( std::abs(dUmolar_dT_analyt/dUmolar_dT_num-1) < eps); CHECK( std::abs(dUmolar_drho_analyt/dUmolar_drho_num-1) < eps); CHECK( std::abs(dUmass_dT_analyt/dUmass_dT_num-1) < eps); CHECK( std::abs(dUmass_drho_analyt/dUmass_drho_num-1) < eps); CHECK( std::abs(dGmolar_dT_analyt/dGmolar_dT_num-1) < eps); CHECK( std::abs(dGmolar_drho_analyt/dGmolar_drho_num-1) < eps); CHECK( std::abs(dGmass_dT_analyt/dGmass_dT_num-1) < eps); CHECK( std::abs(dGmass_drho_analyt/dGmass_drho_num-1) < eps); CHECK( std::abs(dCvmolar_dT_analyt/dCvmolar_dT_num-1) < eps); CHECK( std::abs(dCvmolar_drho_analyt/dCvmolar_drho_num-1) < eps); CHECK( std::abs(dCvmass_dT_analyt/dCvmass_dT_num-1) < eps); CHECK( std::abs(dCvmass_drho_analyt/dCvmass_drho_num-1) < eps); CHECK( std::abs(dCpmolar_dT_analyt/dCpmolar_dT_num-1) < eps); CHECK( std::abs(dCpmolar_drho_analyt/dCpmolar_drho_num-1) < eps); CHECK( std::abs(dCpmass_dT_analyt/dCpmass_dT_num-1) < eps); CHECK( std::abs(dCpmass_drho_analyt/dCpmass_drho_num-1) < eps); CHECK( std::abs(dspeed_sound_dT_analyt/dspeed_sound_dT_num-1) < eps); CHECK( std::abs(dspeed_sound_drho_analyt/dspeed_sound_drho_num-1) < eps); } #endif