From 7813618357b07742d9e4fdf6a889a500cd7a1c83 Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Wed, 11 Aug 2010 15:36:27 +0000 Subject: [PATCH] Doxygen updates Removed deadwood data members and member functions --- Cantera/src/transport/MixTransport.cpp | 72 +++--------- Cantera/src/transport/MixTransport.h | 154 ++++++++++++++++++------- 2 files changed, 130 insertions(+), 96 deletions(-) diff --git a/Cantera/src/transport/MixTransport.cpp b/Cantera/src/transport/MixTransport.cpp index b3a54ceb0..8d37aecaa 100644 --- a/Cantera/src/transport/MixTransport.cpp +++ b/Cantera/src/transport/MixTransport.cpp @@ -57,11 +57,6 @@ namespace Cantera { m_phi(0,0), m_wratjk(0,0), m_wratkj1(0,0), - m_crot(0), - m_cinternal(0), - m_eps(0), - m_alpha(0), - m_dipoleDiag(0), m_temp(-1.0), m_logt(0.0), m_kbt(0.0), @@ -69,25 +64,22 @@ namespace Cantera { m_t32(0.0), m_sqrt_kbt(0.0), m_sqrt_t(0.0), - m_sqrt_eps_k(0), - m_log_eps_k(0, 0), - m_frot_298(0), - m_rotrelax(0), m_lambda(0.0), m_viscmix(0.0), m_spwork(0), m_viscmix_ok(false), m_viscwt_ok(false), m_spvisc_ok(false), - m_diffmix_ok(false), m_bindiff_ok(false), - m_abc_ok (false), m_spcond_ok(false), m_condmix_ok(false), m_mode(0), - m_epsilon(0, 0), + m_eps(0), m_diam(0, 0), - incl(0, 0), + m_dipoleDiag(0), + m_alpha(0), + m_crot(0), + m_zrot(0), m_debug(false) { } @@ -110,11 +102,6 @@ namespace Cantera { m_phi(0,0), m_wratjk(0,0), m_wratkj1(0,0), - m_crot(0), - m_cinternal(0), - m_eps(0), - m_alpha(0), - m_dipoleDiag(0), m_temp(-1.0), m_logt(0.0), m_kbt(0.0), @@ -122,25 +109,22 @@ namespace Cantera { m_t32(0.0), m_sqrt_kbt(0.0), m_sqrt_t(0.0), - m_sqrt_eps_k(0), - m_log_eps_k(0, 0), - m_frot_298(0), - m_rotrelax(0), m_lambda(0.0), m_viscmix(0.0), m_spwork(0), m_viscmix_ok(false), m_viscwt_ok(false), m_spvisc_ok(false), - m_diffmix_ok(false), m_bindiff_ok(false), - m_abc_ok (false), m_spcond_ok(false), m_condmix_ok(false), m_mode(0), - m_epsilon(0, 0), + m_eps(0), m_diam(0, 0), - incl(0, 0), + m_dipoleDiag(0), + m_alpha(0), + m_crot(0), + m_zrot(0), m_debug(false) { *this = right; @@ -176,12 +160,6 @@ namespace Cantera { m_phi = right.m_phi; m_wratjk = right.m_wratjk; m_wratkj1 = right.m_wratkj1; - m_zrot = right.m_zrot; - m_crot = right.m_crot; - m_cinternal = right.m_cinternal; - m_eps = right.m_eps; - m_alpha = right.m_alpha; - m_dipoleDiag = right.m_dipoleDiag; m_temp = right.m_temp; m_logt = right.m_logt; m_kbt = right.m_kbt; @@ -189,25 +167,22 @@ namespace Cantera { m_t32 = right.m_t32; m_sqrt_kbt = right.m_sqrt_kbt; m_sqrt_t = right.m_sqrt_t; - m_sqrt_eps_k = right.m_sqrt_eps_k; - m_log_eps_k = right.m_log_eps_k; - m_frot_298 = right.m_frot_298; - m_rotrelax = right.m_rotrelax; m_lambda = right.m_lambda; m_viscmix = right.m_viscmix; m_spwork = right.m_spwork; m_viscmix_ok = right.m_viscmix_ok; m_viscwt_ok = right.m_viscwt_ok; m_spvisc_ok = right.m_spvisc_ok; - m_diffmix_ok = right.m_diffmix_ok; m_bindiff_ok = right.m_bindiff_ok; - m_abc_ok = right.m_abc_ok; m_spcond_ok = right.m_spcond_ok; m_condmix_ok = right.m_condmix_ok; m_mode = right.m_mode; - m_epsilon = right.m_epsilon; + m_eps = right.m_eps; m_diam = right.m_diam; - incl = right.incl; + m_dipoleDiag = right.m_dipoleDiag; + m_alpha = right.m_alpha; + m_crot = right.m_crot; + m_zrot = right.m_zrot; m_debug = right.m_debug; return *this; @@ -252,7 +227,6 @@ namespace Cantera { m_zrot = tr.zrot; m_crot = tr.crot; - m_epsilon = tr.epsilon; m_mode = tr.mode_; m_diam = tr.diam; m_eps = tr.eps; @@ -288,9 +262,6 @@ namespace Cantera { m_spvisc_ok = false; m_spcond_ok = false; m_condmix_ok = false; - m_spcond_ok = false; - m_diffmix_ok = false; - m_abc_ok = false; return true; } @@ -548,9 +519,7 @@ namespace Cantera { m_spvisc_ok = false; m_viscwt_ok = false; m_spcond_ok = false; - m_diffmix_ok = false; m_bindiff_ok = false; - m_abc_ok = false; m_condmix_ok = false; } //==================================================================================================================== @@ -566,7 +535,6 @@ namespace Cantera { // fractions. m_viscmix_ok = false; - m_diffmix_ok = false; m_condmix_ok = false; m_thermo->getMoleFractions(DATA_PTR(m_molefracs)); @@ -578,13 +546,6 @@ namespace Cantera { } } //==================================================================================================================== - - /************************************************************************* - * - * methods to update temperature-dependent properties - * - *************************************************************************/ - //==================================================================================================================== /* * Update the temperature-dependent parts of the mixture-averaged * thermal conductivity. @@ -605,7 +566,6 @@ namespace Cantera { m_spcond_ok = true; m_condmix_ok = false; } - //==================================================================================================================== /* * Update the binary diffusion coefficients. These are evaluated @@ -635,9 +595,7 @@ namespace Cantera { } } } - m_bindiff_ok = true; - m_diffmix_ok = false; } //==================================================================================================================== /* diff --git a/Cantera/src/transport/MixTransport.h b/Cantera/src/transport/MixTransport.h index 13d098606..d5e501495 100644 --- a/Cantera/src/transport/MixTransport.h +++ b/Cantera/src/transport/MixTransport.h @@ -276,16 +276,32 @@ namespace Cantera { } void updateThermal_T(); void updateViscosity_T(); + + //! Update the temperature dependent parts of the species thermal conductivities + /*! + * These are evaluated from the polynomial fits of the temperature and are assumed to be + * independent of pressure + */ void updateCond_T(); + + //! Update the species viscosities + /*! + * These are evaluated from the polynomial fits of the temperature and are assumed to be + * independent of pressure + */ void updateSpeciesViscosities(); + + //! Update the binary diffusion coefficients + /*! + * These are evaluated from the polynomial fits of the temperature at the unit pressure of 1 Pa. + */ void updateDiff_T(); - void correctBinDiffCoeffs(); - - + // --------- Member Data ------------- + private: - // mixture attributes + //! Number of species in the phase int m_nsp; //! Minimum value of the temperature that this transport parameterization is valid @@ -301,6 +317,11 @@ namespace Cantera { std::vector m_visccoeffs; std::vector m_condcoeffs; std::vector m_diffcoeffs; + + //! Powers of the ln temperature + /*! + * up to fourth order + */ vector_fp m_polytempvec; // property values @@ -342,32 +363,11 @@ namespace Cantera { DenseMatrix m_wratjk; DenseMatrix m_wratkj1; - //! Rotational relaxation number for the species in the current phase - /*! - * Not used in this routine -> just a passthrough - * - * length is the number of species in the phase - * units are dimensionless - */ - vector_fp m_zrot; + - //! Dimensionless rotational heat capacity of the species in the current phase - /*! - * These values are 0, 1 and 1.5 for single-molecule, linear, and nonlinear species respectively - * length is the number of species in the pahse - * units are dimensionless (Cr / R) - */ - vector_fp m_crot; - vector_fp m_cinternal; - //! Lennard-Jones well-depth of the species in the current phase - /*! - * length is the number of species in the phase - * Units are Joules (Note this is not Joules/kmol) (note, no kmol -> this is a per molecule amount) - */ - vector_fp m_eps; - vector_fp m_alpha; - vector_fp m_dipoleDiag; + + //! Current value of the temperature at which the properties in this object are calculated (Kelvin) doublereal m_temp; @@ -384,35 +384,111 @@ namespace Cantera { //! Current value of temperature to the 3/2 power doublereal m_t32; + //! current value of Boltzman's constant times the temperature (Joules) to 1/2 power doublereal m_sqrt_kbt; + + //! current value of temperature to 1/2 power doublereal m_sqrt_t; - vector_fp m_sqrt_eps_k; - DenseMatrix m_log_eps_k; - vector_fp m_frot_298; - vector_fp m_rotrelax; - + //! Internal storage for the calculated mixture thermal conductivity + /*! + * Units = W /m /K + */ doublereal m_lambda; + + //! Internal storage for the viscosity of the mixture (kg /m /s) doublereal m_viscmix; - // work space + //! work space length = m_kk vector_fp m_spwork; - + //! Update boolean for mixture rule for the mixture viscosity bool m_viscmix_ok; + + //! Update boolean for the weighting factors for the mixture viscosity bool m_viscwt_ok; + + //! Update boolean for the species viscosities bool m_spvisc_ok; - bool m_diffmix_ok; + + //! Update boolean for the binary diffusivities at unit pressure bool m_bindiff_ok; - bool m_abc_ok; + + //! Update boolean for the species thermal conductivities bool m_spcond_ok; + + //! Update boolean for the mixture rule for the mixture thermal conductivity bool m_condmix_ok; + //! Type of the polynomial fits to temperature + /*! + * CK_Mode means chemkin mode. Currently CA_Mode is used which are different types + * of fits to temperature. + */ int m_mode; - DenseMatrix m_epsilon; + //! Lennard-Jones well-depth of the species in the current phase + /*! + * Not used in this routine -> just a passthrough + * + * length is the number of species in the phase + * Units are Joules (Note this is not Joules/kmol) (note, no kmol -> this is a per molecule amount) + */ + vector_fp m_eps; + + //! hard-sphere diameter for (i,j) collision + /*! + * Not used in this routine -> just a passthrough + * + * diam(i,j) = 0.5*(tr.sigma[i] + tr.sigma[j]); + * Units are m (note, no kmol -> this is a per molecule amount) + * + * Length nsp * nsp. This is a symmetric matrix. + */ DenseMatrix m_diam; - DenseMatrix incl; + + //! The effective dipole moment for (i,j) collisions + /*! + * tr.dipoleMoment has units of Debye's. A Debye is 10-18 cm3/2 erg1/2 + * + * Not used in this routine -> just a passthrough + * + * tr.dipole(i,i) = 1.e-25 * SqrtTen * trdat.dipoleMoment; + * tr.dipole(i,j) = sqrt(tr.dipole(i,i)*tr.dipole(j,j)); + * Units are in Debye (note, no kmol -> this is a per molecule amount) + * + * Length nsp. We store only the diagonal component here. + */ + vector_fp m_dipoleDiag; + + //! Polarizability of each species in the phase + /*! + * Not used in this routine -> just a passthrough + * + * Length = nsp + * Units = m^3 + */ + vector_fp m_alpha; + + //! Dimensionless rotational heat capacity of the species in the current phase + /*! + * Not used in this routine -> just a passthrough + * + * These values are 0, 1 and 1.5 for single-molecule, linear, and nonlinear species respectively + * length is the number of species in the pahse + * units are dimensionless (Cr / R) + */ + vector_fp m_crot; + + //! Rotational relaxation number for the species in the current phase + /*! + * Not used in this routine -> just a passthrough + * + * length is the number of species in the phase + * units are dimensionless + */ + vector_fp m_zrot; + //! Debug flag - turns on more printing bool m_debug;