From ed848f6f88c9ac435be1795e071438dbe05c01b7 Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Mon, 12 Jul 2010 21:08:22 +0000 Subject: [PATCH] doxygen update --- Cantera/src/transport/SolidTransport.h | 43 ++++++++++++- Cantera/src/transport/TransportFactory.cpp | 74 +++++++++++----------- Cantera/src/transport/TransportFactory.h | 49 ++++++++++++-- 3 files changed, 121 insertions(+), 45 deletions(-) diff --git a/Cantera/src/transport/SolidTransport.h b/Cantera/src/transport/SolidTransport.h index 8c6be50d2..3d2833f79 100644 --- a/Cantera/src/transport/SolidTransport.h +++ b/Cantera/src/transport/SolidTransport.h @@ -117,14 +117,55 @@ namespace Cantera { private: - int m_nmobile; // number of mobile species + //! number of mobile species + /*! + * This is equal to the + */ + int m_nmobile; + + //! Coefficient for the diffusivity of species within a solid + /*! + * This is with respect to the lattice + * units = m**2 / s + * vector of length m_nmobile + */ vector_fp m_Adiff; + + //! Temperature power coefficient for the diffusivity of species in a solid + /*! + * vector of length m_nmobile + */ vector_fp m_Ndiff; + + //! Arrhenius factor for the species diffusivities of a solid + /*! + * units = temperature + * vector of length m_nmobile + */ vector_fp m_Ediff; + + //! Index of mobile species to global species + /*! + * vector of length m_nmobile + */ vector_int m_sp; + + //! Coefficient for the thermal conductivity of a solid + /*! + * units = kg m / s3 /K = W/m/K + */ doublereal m_Alam; + + //! Temperature power coefficient for the thermal conductivity of a solid doublereal m_Nlam; + + //! Arrhenius factor for the thermal conductivity of a solid + /*! + * units = temperature + */ doublereal m_Elam; + + //! extra fp array of length nSpecies() vector_fp m_work; }; } diff --git a/Cantera/src/transport/TransportFactory.cpp b/Cantera/src/transport/TransportFactory.cpp index 810cfe799..3bae891b5 100644 --- a/Cantera/src/transport/TransportFactory.cpp +++ b/Cantera/src/transport/TransportFactory.cpp @@ -49,7 +49,6 @@ #include #include -//using namespace std; /** * polynomial degree used for fitting collision integrals @@ -59,7 +58,7 @@ namespace Cantera { - + //==================================================================================================================== TransportFactory* TransportFactory::s_factory = 0; #if defined(THREAD_SAFE_CANTERA) @@ -70,54 +69,54 @@ namespace Cantera { ////////////////////////// exceptions ///////////////////////// - /** - * Exception thrown if an error is encountered while reading the - * transport database. - */ + //==================================================================================================================== + //! Exception thrown if an error is encountered while reading the transport database class TransportDBError : public CanteraError { public: - TransportDBError(int linenum, std::string msg) - : CanteraError("getTransportData", - "error reading transport data: " - + msg + "\n") {} + //! Default constructor + /*! + * @param linenum inputs the line number + * @param msg String message to be sent to the user + */ + TransportDBError(int linenum, std::string msg) : + CanteraError("getTransportData", "error reading transport data: " + msg + "\n") + { + } }; - - + //==================================================================================================================== /////////////////////////// constants ////////////////////////// const doublereal ThreeSixteenths = 3.0/16.0; const doublereal TwoOverPi = 2.0/Pi; const doublereal FiveThirds = 5.0/3.0; - - //////////////////// class TransportFactory methods ////////////// - + //==================================================================================================================== // Second-order correction to the binary diffusion coefficients /* - Calculate second-order corrections to binary diffusion - coefficient pair (dkj, djk). At first order, the binary - diffusion coefficients are independent of composition, and - d(k,j) = d(j,k). But at second order, there is a weak - dependence on composition, with the result that d(k,j) != - d(j,k). This method computes the multiplier by which the - first-order binary diffusion coefficient should be multiplied - to produce the value correct to second order. The expressions - here are taken from Marerro and Mason, - J. Phys. Chem. Ref. Data, vol. 1, p. 3 (1972). - - @param t Temperature (K) - @param tr Transport parameters - @param k index of first species - @param j index of second species - @param xmk mole fraction of species k - @param xmj mole fraction of species j - @param fkj multiplier for d(k,j) - @param fjk multiplier for d(j,k) - - @note This method is not used currently. - */ + * Calculate second-order corrections to binary diffusion + * coefficient pair (dkj, djk). At first order, the binary + * diffusion coefficients are independent of composition, and + * d(k,j) = d(j,k). But at second order, there is a weak + * dependence on composition, with the result that d(k,j) != + * d(j,k). This method computes the multiplier by which the + * first-order binary diffusion coefficient should be multiplied + * to produce the value correct to second order. The expressions + * here are taken from Marerro and Mason, + * J. Phys. Chem. Ref. Data, vol. 1, p. 3 (1972). + * + * @param t Temperature (K) + * @param tr Transport parameters + * @param k index of first species + * @param j index of second species + * @param xmk mole fraction of species k + * @param xmj mole fraction of species j + * @param fkj multiplier for d(k,j) + * @param fjk multiplier for d(j,k) + * + * @note This method is not used currently. + */ void TransportFactory::getBinDiffCorrection(doublereal t, const GasTransportParams& tr, int k, int j, doublereal xk, doublereal xj, doublereal& fkj, doublereal& fjk) { @@ -182,7 +181,6 @@ namespace Cantera { (p2*xk*xk + p1*xj*xj + p12*xk*xj)/ (q2*xk*xk + q1*xj*xj + q12*xk*xj); } - //============================================================================================================================= // Corrections for polar-nonpolar binary diffusion coefficients /* diff --git a/Cantera/src/transport/TransportFactory.h b/Cantera/src/transport/TransportFactory.h index ebbbef53b..7154ee5cf 100644 --- a/Cantera/src/transport/TransportFactory.h +++ b/Cantera/src/transport/TransportFactory.h @@ -45,19 +45,56 @@ namespace Cantera { //==================================================================================================================== //! Struct to hold data read from a transport property database file for gas-phase species struct GasTransportData { - GasTransportData() : speciesName("-"), - geometry(-1), wellDepth(-1.0), - diameter(-1.0), - dipoleMoment(-1.0), - polarizability(-1.0), - rotRelaxNumber(-1.0) {} + //! Default constructor + GasTransportData() : + speciesName("-"), + geometry(-1), + wellDepth(-1.0), + diameter(-1.0), + dipoleMoment(-1.0), + polarizability(-1.0), + rotRelaxNumber(-1.0) + { + } + //! gas phase species name std::string speciesName; + //! Geometry of the molecule + /*! + * 0 - single atom + * 1 - linear atom + * 2 - non-linear geom + */ int geometry; + + //! well-depth parameter + /*! + * units - temperature (CHECK) + */ doublereal wellDepth; + + //! Lennard-Jones diameter of the molecule + /*! + * units - Angstroms + */ doublereal diameter; + + //! dipole Moment of the molecule + /*! + * units = Debye (a debye is 10-18 cm3/2 erg1/2) + */ doublereal dipoleMoment; + + //! Polarizability of the molecule + /*! + * units = A**3 + */ doublereal polarizability; + + //! Rotational relaxation number + /*! + * Number of collisions it takes to equilibrate the rotational dofs with the temperature + */ doublereal rotRelaxNumber; };