#ifndef ANCILLARIES_H #define ANCILLARIES_H #include "Exceptions.h" #include #include "rapidjson/rapidjson_include.h" #include "Eigen/Core" #include "PolyMath.h" namespace CoolProp{ /** The surface tension correlation class uses correlations for the surface tension that are all of the form \f[ \sigma = \sum_{i=0}^{k-1}a_i\left(1-\frac{T}{\tilde T_c}\right)^{n_i} \f] where \f$ \tilde T_c \f$ is the critical temperature used for the correlation which is almost always equal to the critical temperature of the equation of state. Result for surface tension is in N/m */ class SurfaceTensionCorrelation { public: std::vector a, n, s; long double Tc; std::size_t N; std::string BibTeX; SurfaceTensionCorrelation(){}; SurfaceTensionCorrelation(rapidjson::Value &json_code) { a = cpjson::get_long_double_array(json_code["a"]); n = cpjson::get_long_double_array(json_code["n"]); Tc = cpjson::get_double(json_code,"Tc"); BibTeX = cpjson::get_string(json_code,"BibTeX"); this->N = n.size(); s = n; }; long double evaluate(long double T) { if (a.empty()){ throw NotImplementedError(format("surface tension curve not provided"));} long double THETA = 1-T/Tc; for (std::size_t i = 0; i < N; ++i) { s[i] = a[i]*pow(THETA, n[i]); } return std::accumulate(s.begin(), s.end(), 0.0); } }; /** * * This is generalized class that can be used to manage an ancillary curve, * here they are ancillary curves for saturation pressure, density, enthalpy, entropy. * * The form of the ancillary equation can take one of a number of forms: * * a) So-called "exponential" form (type = TYPE_EXPONENTIAL) that has a form like * * \f[ y = y_c\exp\left(\frac{T_c}{T}\sum(n_i \theta^{t_i})\right) \f] * or * \f[ y = y_c\exp\left(\sum(n_i \theta^{t_i})\right) \f] * * b) A non-exponential form (type = TYPE_NOT_EXPONENTIAL) that has a form of * * \f[ y = y_c\left(1+\sum_i(n_i\theta^t_i)\right) \f] * with * \f[ \theta = \left(1-\frac{T}{T_c}\right) \f] * which is conveniently equal to zero at the critical point * * c) Rational polynomial form (type = TYPE_RATIONAL_POLYNOMIAL) that has a form of * \f[ y = \frac{\sum_iA_iT^i}{\sum_iB_iT^i}\f] * where i is an integer, and the coefficients are in increasing order in both numerator and denominator */ class SaturationAncillaryFunction { private: Eigen::MatrixXd num_coeffs, ///< Coefficients for numerator in rational polynomial den_coeffs; ///< Coefficients for denominator in rational polynomial std::vector n, t, s; bool using_tau_r; long double Tmax, Tmin, reducing_value, T_r, max_abs_error; enum ancillaryfunctiontypes{TYPE_NOT_SET = 0, TYPE_NOT_EXPONENTIAL, TYPE_EXPONENTIAL, TYPE_RATIONAL_POLYNOMIAL}; ancillaryfunctiontypes type; std::size_t N; public: SaturationAncillaryFunction(){type = TYPE_NOT_SET;}; SaturationAncillaryFunction(rapidjson::Value &json_code); /// Return true if the ancillary is enabled bool enabled(void){return type != TYPE_NOT_SET;} /// Get the maximum absolute error for this fit /// @returns max_abs_error the maximum absolute error for ancillaries that are characterized by maximum absolute error long double get_max_abs_error(){return max_abs_error;}; /// Evaluate this ancillary function, yielding for instance the saturated liquid density /// @param T The temperature in K /// @returns y the value of the ancillary function at temperature T double evaluate(double T); /// Invert this ancillary function, and calculate the temperature given the output the value of the function /// @param value The value of the output /// @param min_bound (optional) The minimum value for T; ignored if < 0 /// @param max_bound (optional) The maximum value for T; ignored if < 0 /// @returns T The temperature in K double invert(double value, double min_bound = -1, double max_bound = -1); /// Get the minimum temperature /// @returns T The minimum temperature in K double get_Tmin(void){return Tmin;}; /// Get the maximum temperature /// @returns T The maximum temperature in K double get_Tmax(void){return Tmax;}; }; struct MeltingLinePiecewiseSimonSegment { long double T_0, a, c, p_0, T_max, T_min, p_min, p_max; }; struct MeltingLinePiecewiseSimonData { std::vector parts; }; class MeltingLinePiecewisePolynomialInTrSegment { public: std::vector a, t; long double T_0, p_0, T_max, T_min, p_min, p_max; long double evaluate(long double T) { long double summer = 0; for (std::size_t i =0; i < a.size(); ++i){ summer += a[i]*(pow(T/T_0,t[i])-1); } return p_0*(1+summer); } }; struct MeltingLinePiecewisePolynomialInTrData { std::vector parts; }; class MeltingLinePiecewisePolynomialInThetaSegment { public: std::vector a, t; long double T_0, p_0, T_max, T_min, p_min, p_max; long double evaluate(long double T) { long double summer = 0; for (std::size_t i =0; i < a.size(); ++i){ summer += a[i]*pow(T/T_0-1,t[i]); } return p_0*(1+summer); } }; struct MeltingLinePiecewisePolynomialInThetaData { std::vector parts; }; class MeltingLineVariables { public: enum MeltingLineVariablesEnum{ MELTING_LINE_SIMON_TYPE, MELTING_LINE_POLYNOMIAL_IN_TR_TYPE, MELTING_LINE_POLYNOMIAL_IN_THETA_TYPE, MELTING_LINE_NOT_SET }; long double Tmin, Tmax, pmin, pmax; long double evaluate(int OF, int GIVEN, long double value); /// Evaluate the melting line to calculate the limits of the curve (Tmin/Tmax and pmin/pmax) void set_limits(); bool enabled(){return type != MELTING_LINE_NOT_SET;}; std::string BibTeX; long double T_m; ///< Melting temperature at 1 atmosphere MeltingLinePiecewiseSimonData simon; MeltingLinePiecewisePolynomialInTrData polynomial_in_Tr; MeltingLinePiecewisePolynomialInThetaData polynomial_in_Theta; int type; MeltingLineVariables(){type = MELTING_LINE_NOT_SET;}; }; } /* namespace CoolProp */ #endif