diff --git a/Cantera/src/kinetics/FalloffFactory.cpp b/Cantera/src/kinetics/FalloffFactory.cpp index ecdcd4521..fa3f41cf0 100755 --- a/Cantera/src/kinetics/FalloffFactory.cpp +++ b/Cantera/src/kinetics/FalloffFactory.cpp @@ -18,7 +18,7 @@ #include "FalloffFactory.h" #include "ctexceptions.h" -#include +#include namespace Cantera { diff --git a/Cantera/src/kinetics/FalloffFactory.h b/Cantera/src/kinetics/FalloffFactory.h index 187d383a0..cbf3a88af 100755 --- a/Cantera/src/kinetics/FalloffFactory.h +++ b/Cantera/src/kinetics/FalloffFactory.h @@ -5,16 +5,13 @@ * (see \ref falloffGroup and class \link Cantera::Falloff Falloff\endlink). */ - /* - * $Author$ * $Date$ * $Revision$ */ // Copyright 2001 California Institute of Technology - #ifndef CT_NEWFALLOFF_H #define CT_NEWFALLOFF_H @@ -28,6 +25,15 @@ namespace Cantera { + /** + * @defgroup falloffGroup Falloff Parameterizations + * This section describes the parameterizations used + * to describe the fall-off in reaction rate constants + * due to intermolecular energy transfer. + * + * @ingroup chemkinetics + */ + /** * Base class for falloff function calculators. Each instance of a * subclass of Falloff computes one falloff function. diff --git a/Cantera/src/kinetics/GasKinetics.h b/Cantera/src/kinetics/GasKinetics.h index 815d78270..7dee80dcd 100755 --- a/Cantera/src/kinetics/GasKinetics.h +++ b/Cantera/src/kinetics/GasKinetics.h @@ -75,7 +75,6 @@ namespace Cantera { * expressions for low-density gases. * @ingroup kinetics */ - class GasKinetics : public Kinetics { public: diff --git a/Cantera/src/kinetics/Group.cpp b/Cantera/src/kinetics/Group.cpp index e86317197..4c58727d0 100755 --- a/Cantera/src/kinetics/Group.cpp +++ b/Cantera/src/kinetics/Group.cpp @@ -18,9 +18,10 @@ #pragma warning(disable:4503) #endif -#include #include "Group.h" -#include + +#include +#include namespace Cantera { diff --git a/Cantera/src/thermo/HMWSoln.h b/Cantera/src/thermo/HMWSoln.h index 5504faa23..d24adae53 100644 --- a/Cantera/src/thermo/HMWSoln.h +++ b/Cantera/src/thermo/HMWSoln.h @@ -208,7 +208,7 @@ namespace Cantera { * \f$ m_k \f$ is the molality of the kth species. \f$ z_k \f$ is the charge * of the kth species. Note, the ionic strength is a defined units quantity. * The molality has defined units of gmol kg-1, and therefore the ionic - * strength has units of sqrt( gmol kg-1). + * strength has units of sqrt( gmol kg-1). * * In some instances, from some authors, a different * formulation is used for the ionic strength in the equations below. The different @@ -550,6 +550,8 @@ namespace Cantera { * * It can be shown that the expression * + * + * * \f[ * B^{\phi}_{ca} = \beta^{(0)}_{ca} + \beta^{(1)}_{ca} \exp{(- \alpha^{(1)}_{ca} \sqrt{I})} * + \beta^{(2)}_{ca} \exp{(- \alpha^{(2)}_{ca} \sqrt{I} )} @@ -2203,15 +2205,12 @@ namespace Cantera { void getUnscaledMolalityActivityCoefficients(doublereal *acMolality) const; private: - //! Apply the current phScale to a set of activity Coefficients or activities + + //! Apply the current phScale to a set of activity Coefficients /*! * See the Eq3/6 Manual for a thorough discussion. * - * @param acMolality input/Output vector containing the molality based - * activity coefficients. length: m_kk. */ - // void applyphScale(doublereal *acMolality) const; - void s_updateScaling_pHScaling() const; //! Apply the current phScale to a set of derivatives of the activity Coefficients @@ -2792,8 +2791,32 @@ namespace Cantera { * neutral species interacting with itself. */ mutable vector_fp m_Mu_nnn; + + //! Mu coefficient temperature derivative for the self-ternary neutral coefficient + /*! + * Array of 2D data used in the Pitzer/HMW formulation. + * Mu_nnn_L[i] represents the Mu coefficient temperature derivative for the + * nnn interaction. This is a general interaction representing + * neutral species interacting with itself. + */ mutable vector_fp m_Mu_nnn_L; + + //! Mu coefficient 2nd temperature derivative for the self-ternary neutral coefficient + /*! + * Array of 2D data used in the Pitzer/HMW formulation. + * Mu_nnn_L[i] represents the Mu coefficient 2nd temperature derivative for the + * nnn interaction. This is a general interaction representing + * neutral species interacting with itself. + */ mutable vector_fp m_Mu_nnn_LL; + + //! Mu coefficient pressure derivative for the self-ternary neutral coefficient + /*! + * Array of 2D data used in the Pitzer/HMW formulation. + * Mu_nnn_L[i] represents the Mu coefficient pressure derivative for the + * nnn interaction. This is a general interaction representing + * neutral species interacting with itself. + */ mutable vector_fp m_Mu_nnn_P; //! Array of coefficients form_Mu_nnn term diff --git a/Cantera/src/thermo/IdealMolalSoln.cpp b/Cantera/src/thermo/IdealMolalSoln.cpp index e58e1d6b1..d7ce2fead 100644 --- a/Cantera/src/thermo/IdealMolalSoln.cpp +++ b/Cantera/src/thermo/IdealMolalSoln.cpp @@ -28,9 +28,11 @@ #include "ThermoFactory.h" #include +//@{ #ifndef MAX #define MAX(x,y) (( (x) > (y) ) ? (x) : (y)) #endif +//@} namespace Cantera { diff --git a/Cantera/src/thermo/IdealMolalSoln.h b/Cantera/src/thermo/IdealMolalSoln.h index b423158ba..f0be25f57 100644 --- a/Cantera/src/thermo/IdealMolalSoln.h +++ b/Cantera/src/thermo/IdealMolalSoln.h @@ -988,7 +988,7 @@ namespace Cantera { //! Internal error message /*! - * param msg message to be printed + * @param msg message to be printed */ doublereal err(std::string msg) const; diff --git a/Cantera/src/thermo/MolalityVPSSTP.h b/Cantera/src/thermo/MolalityVPSSTP.h index 11fbc9206..db5455efc 100644 --- a/Cantera/src/thermo/MolalityVPSSTP.h +++ b/Cantera/src/thermo/MolalityVPSSTP.h @@ -242,12 +242,13 @@ namespace Cantera { */ virtual int eosType() const; - //! Set the pH scale, which determines the scale for single-ion activity //! coefficients. /*! * Single ion activity coefficients are not unique in terms of the - * representing actual measureable quantities. + * representing actual measureable quantities. + * + * @param pHscaleType Integer representing the pHscale */ void setpHScale(const int pHscaleType); @@ -256,6 +257,8 @@ namespace Cantera { /*! * Single ion activity coefficients are not unique in terms of the * representing actual measureable quantities. + * + * @return Return the pHscale type */ int pHScale() const; diff --git a/Cantera/src/thermo/SpeciesThermoFactory.cpp b/Cantera/src/thermo/SpeciesThermoFactory.cpp index 2256e34df..06c48c269 100755 --- a/Cantera/src/thermo/SpeciesThermoFactory.cpp +++ b/Cantera/src/thermo/SpeciesThermoFactory.cpp @@ -4,9 +4,11 @@ * standard-state thermodynamic properties of a set of species * (see \ref spthermo and class \link Cantera::SpeciesThermoFactory SpeciesThermoFactory\endlink); */ -/* - * $Id$ +/* + * $Revision$ + * $Date$ */ + // Copyright 2001 California Institute of Technology #ifdef WIN32 @@ -442,7 +444,7 @@ namespace Cantera { #endif - doublereal LookupGe(const std::string& elemName, ThermoPhase *th_ptr) { + static doublereal LookupGe(const std::string& elemName, ThermoPhase *th_ptr) { #ifdef OLDWAY int num = sizeof(geDataTable) / sizeof(struct GeData); string s3 = elemName.substr(0,3); @@ -469,7 +471,7 @@ namespace Cantera { #endif } - doublereal convertDGFormation(int k, ThermoPhase *th_ptr) { + static doublereal convertDGFormation(int k, ThermoPhase *th_ptr) { /* * Ok let's get the element compositions and conversion factors. */ @@ -487,16 +489,6 @@ namespace Cantera { totalSum += na * ge; } } - // Add in the charge - // if (m_charge_j != 0.0) { - // ename = "H"; - // ge = LookupGe(ename); - // totalSum -= m_charge_j * ge; - //} - // Ok, now do the calculation. Convert to joules kmol-1 - //doublereal dg = m_deltaG_formation_tr_pr * 4.184 * 1.0E3; - //! Store the result into an internal variable. - // doublereal Mu0_tr_pr = dg + totalSum; return totalSum; }