Doxygen update - no code changed.
Working on beating down the warnings
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12 changed files with 140 additions and 21 deletions
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@ -789,9 +789,9 @@ namespace Cantera {
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* \f[
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* \mu^0_k(T,P) = \mu^{ref}_k(T) + (P - P_{ref}) * V_k
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* \f]
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* where \f$V_k\f$ is the molar volume of pure species <I>k<\I>.
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* where \f$V_k\f$ is the molar volume of pure species <I>k</I>.
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* \f$ \mu^{ref}_k(T)\f$ is the chemical potential of pure
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* species <I>k<\I> at the reference pressure, \f$P_{ref}\f$.
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* species <I>k</I> at the reference pressure, \f$P_{ref}\f$.
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*
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* @param grt Vector of length m_kk, which on return sr[k]
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* will contain the nondimensional
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@ -634,6 +634,14 @@ namespace Cantera {
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#ifdef H298MODIFY_CAPABILITY
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//! Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)
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/*!
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* The 298K heat of formation is defined as the enthalpy change to create the standard state
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* of the species from its constituent elements in their standard states at 298 K and 1 bar.
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*
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* @param k Species k
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* @param Hf298New Specify the new value of the Heat of Formation at 298K and 1 bar
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*/
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virtual void modifyOneHf298SS(const int k, const doublereal Hf298New) {
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m_spthermo->modifyOneHf298(k, Hf298New);
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m_tlast += 0.0001234;
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@ -131,6 +131,14 @@ namespace Cantera {
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#ifdef H298MODIFY_CAPABILITY
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//! Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)
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/*!
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* The 298K heat of formation is defined as the enthalpy change to create the standard state
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* of the species from its constituent elements in their standard states at 298 K and 1 bar.
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*
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* @param k Species k
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* @param HF298New Specify the new value of the Heat of Formation at 298K and 1 bar
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*/
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virtual void modifyOneHf298SS(const int k, const doublereal Hf298New) {
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m_spthermo->modifyOneHf298(k, Hf298New);
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m_tlast += 0.0001234;
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@ -290,8 +290,17 @@ namespace Cantera {
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}
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#ifdef H298MODIFY_CAPABILITY
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//! Report the 298 K Heat of Formation of the standard state of one species (J kmol-1)
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/*!
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* The 298K Heat of Formation is defined as the enthalpy change to create the standard state
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* of the species from its constituent elements in their standard states at 298 K and 1 bar.
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*
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* @param h298 If this is nonnull, the current value of the Heat of Formation at 298K and 1 bar for
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* species m_index is returned in h298[m_index].
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* @return Returns the current value of the Heat of Formation at 298K and 1 bar for
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* species m_index.
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*/
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virtual doublereal reportHf298(doublereal* const h298 = 0) const {
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double tPoly[4];
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@ -317,7 +326,14 @@ namespace Cantera {
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return hh;
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}
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//! Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)
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/*!
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* The 298K heat of formation is defined as the enthalpy change to create the standard state
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* of the species from its constituent elements in their standard states at 298 K and 1 bar.
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*
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* @param k Species k
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* @param Hf298New Specify the new value of the Heat of Formation at 298K and 1 bar
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*/
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virtual void modifyOneHf298(const int k, const doublereal Hf298New) {
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doublereal hnow = reportHf298();
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doublereal delH = Hf298New - hnow;
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@ -401,6 +401,14 @@ namespace Cantera {
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#ifdef H298MODIFY_CAPABILITY
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//! Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)
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/*!
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* The 298K heat of formation is defined as the enthalpy change to create the standard state
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* of the species from its constituent elements in their standard states at 298 K and 1 bar.
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*
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* @param k Species k
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* @param Hf298New Specify the new value of the Heat of Formation at 298K and 1 bar
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*/
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virtual void modifyOneHf298SS(const int k, const doublereal Hf298New) {
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m_spthermo->modifyOneHf298(k, Hf298New);
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m_tlast += 0.0001234;
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@ -266,8 +266,26 @@ namespace Cantera {
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#ifdef H298MODIFY_CAPABILITY
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//! Report the 298 K Heat of Formation of the standard state of one species (J kmol-1)
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/*!
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* The 298K Heat of Formation is defined as the enthalpy change to create the standard state
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* of the species from its constituent elements in their standard states at 298 K and 1 bar.
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*
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* @param h298 If this is nonnull, the current value of the Heat of Formation at 298K and 1 bar for
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* species m_speciesIndex is returned in h298[m_speciesIndex].
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* @return Returns the current value of the Heat of Formation at 298K and 1 bar for
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* species m_speciesIndex.
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*/
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virtual doublereal reportHf298(doublereal* const h298 = 0) const;
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//! Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)
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/*!
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* The 298K heat of formation is defined as the enthalpy change to create the standard state
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* of the species from its constituent elements in their standard states at 298 K and 1 bar.
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*
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* @param k Species k
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* @param Hf298New Specify the new value of the Heat of Formation at 298K and 1 bar
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*/
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virtual void modifyOneHf298(const int k, const doublereal Hf298New);
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#endif
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@ -480,10 +480,26 @@ namespace Cantera {
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#ifdef H298MODIFY_CAPABILITY
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//! Report the 298 K Heat of Formation of the standard state of one species (J kmol-1)
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/*!
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* The 298K Heat of Formation is defined as the enthalpy change to create the standard state
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* of the species from its constituent elements in their standard states at 298 K and 1 bar.
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*
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* @param k species index
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* @return Returns the current value of the Heat of Formation at 298K and 1 bar
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*/
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virtual doublereal reportOneHf298(int k) const {
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throw CanteraError("reportHF298", "unimplemented");
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}
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//! Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)
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/*!
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* The 298K heat of formation is defined as the enthalpy change to create the standard state
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* of the species from its constituent elements in their standard states at 298 K and 1 bar.
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*
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* @param k Species k
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* @param Hf298New Specify the new value of the Heat of Formation at 298K and 1 bar
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*/
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virtual void modifyOneHf298(const int k, const doublereal Hf298New) {
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throw CanteraError("reportHF298", "unimplemented");
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}
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@ -545,6 +545,14 @@ namespace Cantera {
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#ifdef H298MODIFY_CAPABILITY
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//! Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)
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/*!
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* The 298K heat of formation is defined as the enthalpy change to create the standard state
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* of the species from its constituent elements in their standard states at 298 K and 1 bar.
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*
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* @param k Species k
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* @param Hf298New Specify the new value of the Heat of Formation at 298K and 1 bar
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*/
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virtual void modifyOneHf298SS(const int k, const doublereal Hf298New) {
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m_spthermo->modifyOneHf298(k, Hf298New);
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m_tlast += 0.0001234;
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@ -778,18 +778,53 @@ namespace Cantera {
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}
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#ifdef H298MODIFY_CAPABILITY
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//! Report the 298 K Heat of Formation of the standard state of one species (J kmol-1)
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/*!
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* The 298K Heat of Formation is defined as the enthalpy change to create the standard state
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* of the species from its constituent elements in their standard states at 298 K and 1 bar.
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*
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* @param k species index
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* @return Returns the current value of the Heat of Formation at 298K and 1 bar
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*/
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doublereal Hf298SS(const int k) const {
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return (m_spthermo->reportOneHf298(k));
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return (m_spthermo->reportOneHf298(k));
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}
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//! Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)
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/*!
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* The 298K heat of formation is defined as the enthalpy change to create the standard state
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* of the species from its constituent elements in their standard states at 298 K and 1 bar.
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*
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* @param k Species k
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* @param Hf298New Specify the new value of the Heat of Formation at 298K and 1 bar
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*/
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virtual void modifyOneHf298SS(const int k, const doublereal Hf298New) {
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m_spthermo->modifyOneHf298(k, Hf298New);
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m_spthermo->modifyOneHf298(k, Hf298New);
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}
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#else
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//! Report the 298 K Heat of Formation of the standard state of one species (J kmol-1)
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/*!
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* The 298K Heat of Formation is defined as the enthalpy change to create the standard state
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* of the species from its constituent elements in their standard states at 298 K and 1 bar.
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*
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* @param k species index
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* @return Returns the current value of the Heat of Formation at 298K and 1 bar
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*/
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doublereal Hf298SS(const int k) const {
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return err("Hf298SS - H298MODIFY_CAPABILITY not compiled in");
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}
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//! Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)
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/*!
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* The 298K heat of formation is defined as the enthalpy change to create the standard state
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* of the species from its constituent elements in their standard states at 298 K and 1 bar.
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*
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* @param k Species k
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* @param Hf298New Specify the new value of the Heat of Formation at 298K and 1 bar
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*/
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virtual void modifyOneHf298SS(const int k, const doublereal Hf298New) {
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(void) err("Hf298SS - H298MODIFY_CAPABILITY not compiled in");
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}
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@ -422,6 +422,14 @@ protected:
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#ifdef H298MODIFY_CAPABILITY
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//! Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)
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/*!
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* The 298K heat of formation is defined as the enthalpy change to create the standard state
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* of the species from its constituent elements in their standard states at 298 K and 1 bar.
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*
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* @param k Species k
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* @param HF298New Specify the new value of the Heat of Formation at 298K and 1 bar
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*/
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void modifyOneHf298SS(const int k, const doublereal Hf298New) {
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m_spthermo->modifyOneHf298(k, Hf298New);
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m_Tlast_ss += 0.0001234;
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@ -34,7 +34,6 @@ namespace Cantera {
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m_mw(0.0),
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EW_Offset(0.0),
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SW_Offset(0.0),
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m_verbose(0),
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m_ready(false),
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m_allowGasPhase(false)
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{
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@ -49,7 +48,6 @@ namespace Cantera {
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m_mw(0.0),
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EW_Offset(0.0),
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SW_Offset(0.0),
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m_verbose(0),
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m_ready(false),
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m_allowGasPhase(false)
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{
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@ -64,7 +62,6 @@ namespace Cantera {
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m_mw(0.0),
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EW_Offset(0.0),
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SW_Offset(0.0),
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m_verbose(0),
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m_ready(false),
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m_allowGasPhase(false)
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{
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@ -80,7 +77,6 @@ namespace Cantera {
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m_mw(b.m_mw),
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EW_Offset(b.EW_Offset),
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SW_Offset(b.SW_Offset),
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m_verbose(b.m_verbose),
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m_ready(false),
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m_allowGasPhase(b.m_allowGasPhase)
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{
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@ -108,7 +104,6 @@ namespace Cantera {
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m_mw = b.m_mw;
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m_verbose = b.m_verbose;
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m_ready = b.m_ready;
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m_allowGasPhase = b.m_allowGasPhase;
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return *this;
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@ -551,22 +551,21 @@ namespace Cantera {
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//! Molecular weight of Water -> Cantera assumption
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doublereal m_mw;
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/**
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* Offset constants used to obtain consistency with the NIST database.
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* This is added to all internal energy and enthalpy results.
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//! Offset constants used to obtain consistency with the NIST database.
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/*!
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* This is added to all internal energy and enthalpy results.
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* units = J kmol-1.
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*/
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double EW_Offset;
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doublereal EW_Offset;
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/*
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* Offset constant used to obtain consistency with NIST convention.
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* This is added to all internal entropy results.
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//! Offset constant used to obtain consistency with NIST convention.
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/*!
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* This is added to all internal entropy results.
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* units = J kmol-1 K-1.
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*/
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double SW_Offset;
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bool m_verbose;
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doublereal SW_Offset;
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//! Boolean is true if object has been properly initialized for calculation
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bool m_ready;
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/**
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