[Doc] Fix spelling errors
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21 changed files with 41 additions and 41 deletions
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@ -681,10 +681,10 @@ in the report for Chemkin referenced above. These errors include:
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| 1 | An integer with value 0, 1, or 2 indicating |
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| 1 | An integer with value 0, 1, or 2 indicating |
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| | monatomic, linear, or non-linear molecular geometry. |
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| | monatomic, linear, or non-linear molecular geometry. |
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+------------------+------------------------------------------------------+
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+------------------+------------------------------------------------------+
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| 2 | The Lennerd-Jones potential well depth |
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| 2 | The Lennard-Jones potential well depth |
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| | :math:`\varepsilon/k_B` in Kelvin |
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| | :math:`\varepsilon/k_B` in Kelvin |
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+------------------+------------------------------------------------------+
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+------------------+------------------------------------------------------+
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| 3 | The Lennerd-Jones collision diameter :math:`\sigma` |
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| 3 | The Lennard-Jones collision diameter :math:`\sigma` |
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| | in Angstrom |
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| | in Angstrom |
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+------------------+------------------------------------------------------+
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+------------------+------------------------------------------------------+
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| 4 | The dipole moment :math:`\mu` in Debye |
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| 4 | The dipole moment :math:`\mu` in Debye |
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@ -34,7 +34,7 @@ class ThermoPhase;
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#define VCS_EOS_STOICH_SUB 5
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#define VCS_EOS_STOICH_SUB 5
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#define VCS_EOS_IDEAL_SOLN 22
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#define VCS_EOS_IDEAL_SOLN 22
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#define VCS_EOS_DEBEYE_HUCKEL 23
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#define VCS_EOS_DEBEYE_HUCKEL 23
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#define VCS_EOS_REDLICK_KWONG 24
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#define VCS_EOS_REDLICH_KWONG 24
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#define VCS_EOS_REGULAR_SOLN 25
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#define VCS_EOS_REGULAR_SOLN 25
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#define VCS_EOS_UNK_CANTERA -1
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#define VCS_EOS_UNK_CANTERA -1
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@ -912,7 +912,7 @@ public:
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//! Redimensionalize the problem data
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//! Redimensionalize the problem data
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/*!
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/*!
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* Reddimensionalize the free energies using the multiplier R * T
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* Redimensionalize the free energies using the multiplier R * T
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*
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*
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* Essentially the internal data can either be in dimensional form or in
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* Essentially the internal data can either be in dimensional form or in
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* nondimensional form. This routine switches the data from nondimensional
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* nondimensional form. This routine switches the data from nondimensional
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@ -1069,7 +1069,7 @@ public:
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private:
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private:
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//! Zero out the concentration of a species.
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//! Zero out the concentration of a species.
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/*!
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/*!
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* Make sure to conserveelements and keep track of the total moles in all
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* Make sure to conserve elements and keep track of the total moles in all
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* phases.
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* phases.
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* - w[]
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* - w[]
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* - m_tPhaseMoles_old[]
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* - m_tPhaseMoles_old[]
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@ -1429,7 +1429,7 @@ public:
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*
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*
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* m_stoichCoeffRxnMatrix(j,irxn) : j refers to the component number, and
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* m_stoichCoeffRxnMatrix(j,irxn) : j refers to the component number, and
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* irxn refers to the irxn_th non-component species. The stoichiometric
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* irxn refers to the irxn_th non-component species. The stoichiometric
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* coefficients multilplied by the Formula coefficients of the component
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* coefficients multiplied by the Formula coefficients of the component
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* species add up to the negative value of the number of elements in the
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* species add up to the negative value of the number of elements in the
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* species kspec.
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* species kspec.
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*
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*
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@ -1469,7 +1469,7 @@ public:
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vector_fp m_feSpecies_old;
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vector_fp m_feSpecies_old;
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//! Dimensionless new free energy for all the species in the mechanism
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//! Dimensionless new free energy for all the species in the mechanism
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//! at the new tentatite T, P, and mole numbers.
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//! at the new tentative T, P, and mole numbers.
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/*!
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/*!
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* The first NC entries are for components. The following
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* The first NC entries are for components. The following
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* NR entries are for the current non-component species in the mechanism.
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* NR entries are for the current non-component species in the mechanism.
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@ -1746,7 +1746,7 @@ public:
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*/
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*/
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char m_unitsState;
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char m_unitsState;
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//! Multiplier for the mole numbers within the nondimensionless formulation
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//! Multiplier for the mole numbers within the nondimensional formulation
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/*!
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/*!
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* All numbers within the main routine are on an absolute basis. This
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* All numbers within the main routine are on an absolute basis. This
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* presents some problems wrt very large and very small mole numbers. We get
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* presents some problems wrt very large and very small mole numbers. We get
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@ -1787,7 +1787,7 @@ public:
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//! Molar-based Activity Coefficients for Species based on old mole numbers
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//! Molar-based Activity Coefficients for Species based on old mole numbers
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/*!
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/*!
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* These activity coefficients are based on the m_molNumSpecies_old
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* These activity coefficients are based on the m_molNumSpecies_old
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* values Molar based activity coeffients. Length = number of species
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* values Molar based activity coefficients. Length = number of species
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*/
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*/
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vector_fp m_actCoeffSpecies_old;
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vector_fp m_actCoeffSpecies_old;
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@ -1814,7 +1814,7 @@ public:
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std::vector<std::vector<size_t> > phasePopProblemLists_;
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std::vector<std::vector<size_t> > phasePopProblemLists_;
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//! Vector of pointers to thermostructures which identify the model
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//! Vector of pointers to thermo structures which identify the model
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//! and parameters for evaluating the thermodynamic functions for that
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//! and parameters for evaluating the thermodynamic functions for that
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//! particular species.
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//! particular species.
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/*!
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/*!
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@ -1847,10 +1847,10 @@ public:
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//! Debug printing lvl
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//! Debug printing lvl
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/*!
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/*!
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* Levels correspond to the following guidlines
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* Levels correspond to the following guidelines
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* * 0 No printing at all
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* * 0 No printing at all
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* * 1 Serious warnings or fatal errors get one line
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* * 1 Serious warnings or fatal errors get one line
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* * 2 one line per eacdh successful vcs package call
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* * 2 one line per each successful vcs package call
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* * 3 one line per every successful solve_TP calculation
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* * 3 one line per every successful solve_TP calculation
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* * 4 one line for every successful operation -> solve_TP gets a summary report
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* * 4 one line for every successful operation -> solve_TP gets a summary report
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* * 5 each iteration in solve_TP gets a report with one line per species
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* * 5 each iteration in solve_TP gets a report with one line per species
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@ -77,7 +77,7 @@ public:
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*/
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*/
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virtual void setMaxNumSteps(int n);
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virtual void setMaxNumSteps(int n);
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//! Sset the initial step size
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//! Set the initial step size
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/*!
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/*!
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* @param h0 initial step size value
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* @param h0 initial step size value
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*/
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*/
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@ -96,7 +96,7 @@ namespace Cantera
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* ResidEval * ec;
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* ResidEval * ec;
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* // Instantiate the root finder with the residual to be solved, ec.
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* // Instantiate the root finder with the residual to be solved, ec.
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* RootFind rf(&ec);
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* RootFind rf(&ec);
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* // Set the relative and absolute tolerancess for f and x.
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* // Set the relative and absolute tolerances for f and x.
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* rf.setTol(1.0E-5, 1.0E-10, 1.0E-5, 1.0E-11);
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* rf.setTol(1.0E-5, 1.0E-10, 1.0E-5, 1.0E-11);
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* // Give a hint about the function's dependence on x. This is needed, for example, if the function has
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* // Give a hint about the function's dependence on x. This is needed, for example, if the function has
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* // flat regions.
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* // flat regions.
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@ -438,7 +438,7 @@ public:
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* returns an array of partial molar volumes of the species
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* returns an array of partial molar volumes of the species
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* in the solution. Units: m^3 kmol-1.
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* in the solution. Units: m^3 kmol-1.
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*
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*
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* For this solution, thepartial molar volumes are equal to the
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* For this solution, the partial molar volumes are equal to the
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* constant species molar volumes.
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* constant species molar volumes.
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*
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*
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* @param vbar Output vector of partial molar volumes. Length: m_kk.
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* @param vbar Output vector of partial molar volumes. Length: m_kk.
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@ -381,7 +381,7 @@ public:
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* returns an array of partial molar volumes of the species in the solution.
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* returns an array of partial molar volumes of the species in the solution.
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* Units: m^3 kmol-1.
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* Units: m^3 kmol-1.
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*
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*
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* For this solution, thepartial molar volumes are equal to the constant
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* For this solution, the partial molar volumes are equal to the constant
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* species molar volumes.
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* species molar volumes.
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*
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*
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* @param vbar Output vector of partial molar volumes. Length: m_kk.
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* @param vbar Output vector of partial molar volumes. Length: m_kk.
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@ -16,7 +16,7 @@
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namespace Cantera
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namespace Cantera
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{
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{
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//! MixedSolventElectrolyte is a derived class of GibbsExcessVPSSTP that employs
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//! MixedSolventElectrolyte is a derived class of GibbsExcessVPSSTP that employs
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//! the DH and local Marguless approximations for the excess Gibbs free energy
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//! the DH and local Margules approximations for the excess Gibbs free energy
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/*!
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/*!
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* MixedSolventElectrolyte derives from class GibbsExcessVPSSTP which is derived
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* MixedSolventElectrolyte derives from class GibbsExcessVPSSTP which is derived
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* from VPStandardStateTP.
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* from VPStandardStateTP.
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@ -23,7 +23,7 @@ namespace Cantera
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* location of where we are in (T,rho) space.
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* location of where we are in (T,rho) space.
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*
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*
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* WATER_UNSTABLELIQUID indicates that we are in the unstable region, inside the
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* WATER_UNSTABLELIQUID indicates that we are in the unstable region, inside the
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* spinodal curve where dpdrho < 0.0 amonst other properties. The difference
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* spinodal curve where dpdrho < 0.0 amongst other properties. The difference
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* between WATER_UNSTABLELIQUID and WATER_UNSTABLEGAS is that
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* between WATER_UNSTABLELIQUID and WATER_UNSTABLEGAS is that
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* for WATER_UNSTABLELIQUID d2pdrho2 > 0 and dpdrho < 0.0
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* for WATER_UNSTABLELIQUID d2pdrho2 > 0 and dpdrho < 0.0
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* for WATER_UNSTABLEGAS d2pdrho2 < 0 and dpdrho < 0.0
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* for WATER_UNSTABLEGAS d2pdrho2 < 0 and dpdrho < 0.0
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@ -38,7 +38,7 @@ namespace Cantera
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//! Class for calculating the equation of state of water.
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//! Class for calculating the equation of state of water.
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/*!
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/*!
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* The reference is W. Wagner, A. Prub, "The IAPWS Formulation 1995 for the
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* The reference is W. Wagner, A. Pruss, "The IAPWS Formulation 1995 for the
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* Thermodynamic Properties of Ordinary Water Substance for General and
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* Thermodynamic Properties of Ordinary Water Substance for General and
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* Scientific Use," J. Phys. Chem. Ref. Dat, 31, 387, 2002.
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* Scientific Use," J. Phys. Chem. Ref. Dat, 31, 387, 2002.
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*
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*
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@ -21,7 +21,7 @@ namespace Cantera
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//! Low level class for the real description of water.
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//! Low level class for the real description of water.
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/*!
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/*!
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* The reference is W. Wagner, A. Prub, "The IAPWS Formulation 1995 for the
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* The reference is W. Wagner, A. Pruss, "The IAPWS Formulation 1995 for the
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* Thermodynamic Properties of Ordinary Water Substance for General and
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* Thermodynamic Properties of Ordinary Water Substance for General and
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* Scientific Use," J. Phys. Chem. Ref. Dat, 31, 387, 2002.
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* Scientific Use," J. Phys. Chem. Ref. Dat, 31, 387, 2002.
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*
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*
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@ -35,7 +35,7 @@ public:
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//! Calculate the Phi function, which is the base function
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//! Calculate the Phi function, which is the base function
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/*!
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/*!
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* The phi function is basically the helmholtz free energy Eqn. (6.4) All
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* The phi function is basically the Helmholtz free energy Eqn. (6.4) All
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* internal polynomials are recalculated.
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* internal polynomials are recalculated.
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*
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*
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* @param tau Dimensionless temperature = T_c/T
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* @param tau Dimensionless temperature = T_c/T
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@ -23,7 +23,7 @@ class WaterProps;
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//! Class for single-component water. This is designed to cover just the liquid
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//! Class for single-component water. This is designed to cover just the liquid
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//! part of water.
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//! part of water.
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/*!
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/*!
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* The reference is W. Wagner, A. Prub, "The IAPWS Formulation 1995 for the
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* The reference is W. Wagner, A. Pruss, "The IAPWS Formulation 1995 for the
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* Thermodynamic Properties of Ordinary Water Substance for General and
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* Thermodynamic Properties of Ordinary Water Substance for General and
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* Scientific Use," J. Phys. Chem. Ref. Dat, 31, 387, 2002.
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* Scientific Use," J. Phys. Chem. Ref. Dat, 31, 387, 2002.
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*
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*
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@ -172,9 +172,9 @@ public:
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//@}
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//@}
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//! @name Thermodynamic Values for the Species Reference State
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//! @name Thermodynamic Values for the Species Reference State
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/*!
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/*!
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* All functions in this group need to be overrided, because the m_spthermo
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* All functions in this group need to be overridden, because the
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* MultiSpeciesThermo function is not adequate for the real equation of
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* m_spthermo MultiSpeciesThermo function is not adequate for the real
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* state.
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* equation of state.
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*/
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*/
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//@{
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//@{
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@ -31,7 +31,7 @@ const int cEST_strongAcidAssociated = 3; // Species which always breaks
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// in the speciation vector.
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// in the speciation vector.
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const int cEST_polarNeutral = 4; // Polar neutral species
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const int cEST_polarNeutral = 4; // Polar neutral species
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const int cEST_nonpolarNeutral = 5; // Nonpolar neutral species. These
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const int cEST_nonpolarNeutral = 5; // Nonpolar neutral species. These
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// usually have activity coefficnt
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// usually have activity coefficient
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// corrections applied to them to
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// corrections applied to them to
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// account for salting-out effects
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// account for salting-out effects
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//! Object that specifies the viscosity interaction for the mixture
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//! Object that specifies the viscosity interaction for the mixture
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LiquidTranInteraction* viscosity;
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LiquidTranInteraction* viscosity;
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//! Object that specifes the ionic Conductivity of the mixture
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//! Object that specifies the ionic Conductivity of the mixture
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LiquidTranInteraction* ionConductivity;
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LiquidTranInteraction* ionConductivity;
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//! Vector of pointer to the LiquidTranInteraction object which handles the
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//! Vector of pointer to the LiquidTranInteraction object which handles the
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//! calculation of the mobility ratios for the phase
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//! calculation of the mobility ratios for the phase
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/*!
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/*!
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* The mobility ratio is defined via the following quantity where i and j
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* The mobility ratio is defined via the following quantity where i and j
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* are species indecises.
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* are species indices.
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*
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*
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* mobRat(i,j) = mu_i / mu_j
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* mobRat(i,j) = mu_i / mu_j
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*
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*
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* It is returned in fortran-ordering format. ie. it is returned as
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* It is returned in fortran-ordering format. i.e. it is returned as
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* mobRat[k], where
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* mobRat[k], where
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*
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*
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* k = j * nsp + i
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* k = j * nsp + i
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*
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*
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* mobRat(i,j) = mu_i / mu_j
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* mobRat(i,j) = mu_i / mu_j
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*
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*
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* It is returned in fortran-ordering format. ie. it is returned as
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* It is returned in fortran-ordering format. i.e. it is returned as
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* mobRat[k], where
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* mobRat[k], where
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*
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*
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* k = j * nsp + i
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* k = j * nsp + i
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@ -839,7 +839,7 @@ std::string string16_EOSType(int EOSType)
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case VCS_EOS_DEBEYE_HUCKEL:
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case VCS_EOS_DEBEYE_HUCKEL:
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sprintf(st,"Debeye Huckel ");
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sprintf(st,"Debeye Huckel ");
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break;
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break;
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case VCS_EOS_REDLICK_KWONG:
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case VCS_EOS_REDLICH_KWONG:
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sprintf(st,"Redlick_Kwong ");
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sprintf(st,"Redlick_Kwong ");
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break;
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break;
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case VCS_EOS_REGULAR_SOLN:
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case VCS_EOS_REGULAR_SOLN:
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@ -1142,8 +1142,8 @@ std::string vcs_VolPhase::eos_name() const
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return "Ideal Soln";
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return "Ideal Soln";
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case VCS_EOS_DEBEYE_HUCKEL:
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case VCS_EOS_DEBEYE_HUCKEL:
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return "Debeye Huckel";
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return "Debeye Huckel";
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case VCS_EOS_REDLICK_KWONG:
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case VCS_EOS_REDLICH_KWONG:
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return "Redlick_Kwong";
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return "Redlich_Kwong";
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case VCS_EOS_REGULAR_SOLN:
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case VCS_EOS_REGULAR_SOLN:
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return "Regular Soln";
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return "Regular Soln";
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default:
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default:
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@ -323,8 +323,8 @@ int VCS_SOLVE::vcs_rxn_adj_cg()
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if (m_molNumSpecies_old[kspec] == 0.0 && (!m_SSPhase[kspec])) {
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if (m_molNumSpecies_old[kspec] == 0.0 && (!m_SSPhase[kspec])) {
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// MULTISPECIES PHASE WITH total moles equal to zero
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// MULTISPECIES PHASE WITH total moles equal to zero
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//
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//
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// HKM -> the statment below presupposes units in m_deltaGRxn_new[].
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// HKM -> the statement below presupposes units in m_deltaGRxn_new[].
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// It probably should be replaced with something more relativistic
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// It probably should be replaced with something more relative
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if (m_deltaGRxn_new[irxn] < -1.0e-4) {
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if (m_deltaGRxn_new[irxn] < -1.0e-4) {
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sprintf(ANOTE, "MultSpec: come alive DG = %11.3E", m_deltaGRxn_new[irxn]);
|
sprintf(ANOTE, "MultSpec: come alive DG = %11.3E", m_deltaGRxn_new[irxn]);
|
||||||
m_deltaMolNumSpecies[kspec] = 1.0e-10;
|
m_deltaMolNumSpecies[kspec] = 1.0e-10;
|
||||||
|
|
|
||||||
|
|
@ -287,7 +287,7 @@ void GasKinetics::addFalloffReaction(FalloffReaction& r)
|
||||||
if (k != npos) {
|
if (k != npos) {
|
||||||
efficiencies[k] = eff.second;
|
efficiencies[k] = eff.second;
|
||||||
} else if (!m_skipUndeclaredThirdBodies) {
|
} else if (!m_skipUndeclaredThirdBodies) {
|
||||||
throw CanteraError("GasKinetics::addTFalloffReaction", "Found "
|
throw CanteraError("GasKinetics::addFalloffReaction", "Found "
|
||||||
"third-body efficiency for undefined species '" + eff.first +
|
"third-body efficiency for undefined species '" + eff.first +
|
||||||
"' while adding reaction '" + r.equation() + "'");
|
"' while adding reaction '" + r.equation() + "'");
|
||||||
}
|
}
|
||||||
|
|
|
||||||
|
|
@ -124,7 +124,7 @@ int solveSP::solveSurfProb(int ifunc, doublereal time_scale, doublereal TKelvin,
|
||||||
int label_d = -1; // Species IDs for damping control
|
int label_d = -1; // Species IDs for damping control
|
||||||
int label_t_old=-1;
|
int label_t_old=-1;
|
||||||
doublereal label_factor = 1.0;
|
doublereal label_factor = 1.0;
|
||||||
int iter=0; // iteration number on numlinear solver
|
int iter=0; // iteration number on nonlinear solver
|
||||||
int iter_max=1000; // maximum number of nonlinear iterations
|
int iter_max=1000; // maximum number of nonlinear iterations
|
||||||
doublereal deltaT = 1.0E-10; // Delta time step
|
doublereal deltaT = 1.0E-10; // Delta time step
|
||||||
doublereal damp=1.0;
|
doublereal damp=1.0;
|
||||||
|
|
|
||||||
|
|
@ -100,7 +100,7 @@ void IdealGasConstPressureReactor::evalEqs(doublereal time, doublereal* y,
|
||||||
mcpdTdt -= m_Q;
|
mcpdTdt -= m_Q;
|
||||||
|
|
||||||
for (size_t n = 0; n < m_nsp; n++) {
|
for (size_t n = 0; n < m_nsp; n++) {
|
||||||
// heat release from gas phase and surface reations
|
// heat release from gas phase and surface reactions
|
||||||
mcpdTdt -= m_wdot[n] * m_hk[n] * m_vol;
|
mcpdTdt -= m_wdot[n] * m_hk[n] * m_vol;
|
||||||
mcpdTdt -= m_sdot[n] * m_hk[n];
|
mcpdTdt -= m_sdot[n] * m_hk[n];
|
||||||
// production in gas phase and from surfaces
|
// production in gas phase and from surfaces
|
||||||
|
|
|
||||||
|
|
@ -102,7 +102,7 @@ void IdealGasReactor::evalEqs(doublereal time, doublereal* y,
|
||||||
mcvdTdt += - m_pressure * m_vdot - m_Q;
|
mcvdTdt += - m_pressure * m_vdot - m_Q;
|
||||||
|
|
||||||
for (size_t n = 0; n < m_nsp; n++) {
|
for (size_t n = 0; n < m_nsp; n++) {
|
||||||
// heat release from gas phase and surface reations
|
// heat release from gas phase and surface reactions
|
||||||
mcvdTdt -= m_wdot[n] * m_uk[n] * m_vol;
|
mcvdTdt -= m_wdot[n] * m_uk[n] * m_vol;
|
||||||
mcvdTdt -= m_sdot[n] * m_uk[n];
|
mcvdTdt -= m_sdot[n] * m_uk[n];
|
||||||
// production in gas phase and from surfaces
|
// production in gas phase and from surfaces
|
||||||
|
|
@ -128,7 +128,7 @@ void IdealGasReactor::evalEqs(doublereal time, doublereal* y,
|
||||||
// flow of species into system and dilution by other species
|
// flow of species into system and dilution by other species
|
||||||
dYdt[n] += (mdot_spec - mdot_in * Y[n]) / m_mass;
|
dYdt[n] += (mdot_spec - mdot_in * Y[n]) / m_mass;
|
||||||
|
|
||||||
// In combintion with h_in*mdot_in, flow work plus thermal
|
// In combination with h_in*mdot_in, flow work plus thermal
|
||||||
// energy carried with the species
|
// energy carried with the species
|
||||||
mcvdTdt -= m_uk[n] / mw[n] * mdot_spec;
|
mcvdTdt -= m_uk[n] / mw[n] * mdot_spec;
|
||||||
}
|
}
|
||||||
|
|
|
||||||
|
|
@ -210,7 +210,7 @@ void Reactor::evalEqs(doublereal time, doublereal* y,
|
||||||
applySensitivity(params);
|
applySensitivity(params);
|
||||||
evalWalls(time);
|
evalWalls(time);
|
||||||
double mdot_surf = evalSurfaces(time, ydot + m_nsp + 3);
|
double mdot_surf = evalSurfaces(time, ydot + m_nsp + 3);
|
||||||
dmdt += mdot_surf; // mass added to gas phase from surface reations
|
dmdt += mdot_surf; // mass added to gas phase from surface reactions
|
||||||
|
|
||||||
// volume equation
|
// volume equation
|
||||||
ydot[1] = m_vdot;
|
ydot[1] = m_vdot;
|
||||||
|
|
|
||||||
Loading…
Add table
Reference in a new issue