[Kinetics] Clean up documentation of Falloff classes
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Ray Speth
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d1295a5249
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1 changed files with 29 additions and 61 deletions
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@ -25,10 +25,7 @@ namespace Cantera
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class Falloff
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{
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public:
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//! Default constructor is empty
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Falloff() {}
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//! default destructor is empty
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virtual ~Falloff() {}
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/**
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@ -40,18 +37,16 @@ public:
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virtual void init(const vector_fp& c) {}
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/**
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* Update the temperature-dependent portions of the falloff
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* function, if any. This method evaluates temperature-dependent
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* intermediate results and stores them in the 'work' array.
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* If not overloaded, the default behavior is to do nothing.
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* Update the temperature-dependent portions of the falloff function, if
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* any, and store them in the 'work' array. If not overloaded, the default
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* behavior is to do nothing.
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* @param T Temperature [K].
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* @param work storage space for intermediate results.
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*/
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virtual void updateTemp(doublereal T, doublereal* work) const {}
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/**
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* The falloff function. This is defined so that the
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* rate coefficient is
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* The falloff function. This is defined so that the rate coefficient is
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*
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* \f[ k = F(Pr)\frac{Pr}{1 + Pr}. \f]
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*
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@ -133,12 +128,9 @@ public:
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//! Update the temperature parameters in the representation
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/*!
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* The workspace has a length of one
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*
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* @param T Temperature (Kelvin)
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* @param work Vector of working space representing
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* the temperature dependent part of the
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* parameterization.
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* @param work Vector of working space, length 1, representing the
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* temperature-dependent part of the parameterization.
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*/
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virtual void updateTemp(doublereal T, doublereal* work) const {
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doublereal Fcent = (1.0 - m_a) * exp(- T * m_rt3)
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@ -161,16 +153,13 @@ public:
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}
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protected:
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//! parameter a in the 4-parameter Troe falloff function. This is
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//! unitless.
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//! parameter a in the 3-parameter Troe falloff function. Dimensionless.
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doublereal m_a;
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//! parameter 1/T_3 in the 4-parameter Troe falloff function. This has
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//! units of Kelvin-1
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//! parameter 1/T_3 in the 3-parameter Troe falloff function. [K^-1]
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doublereal m_rt3;
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//! parameter 1/T_1 in the 4-parameter Troe falloff function. This has
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//! units of Kelvin-1.
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//! parameter 1/T_1 in the 3-parameter Troe falloff function. [K^-1]
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doublereal m_rt1;
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};
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@ -211,7 +200,7 @@ public:
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//! Initialization of the object
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/*!
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* @param c Vector of four doubles: The doubles are the parameters,
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* a,, T_3, T_1, and T_2 of the Troe parameterization
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* a, T_3, T_1, and T_2 of the Troe parameterization
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*/
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virtual void init(const vector_fp& c) {
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m_a = c[0];
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@ -230,12 +219,9 @@ public:
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//! Update the temperature parameters in the representation
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/*!
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* The workspace has a length of one
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*
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* @param T Temperature (Kelvin)
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* @param work Vector of working space representing
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* the temperature dependent part of the
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* parameterization.
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* @param work Vector of working space, length 1, representing the
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* temperature-dependent part of the parameterization.
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*/
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virtual void updateTemp(doublereal T, doublereal* work) const {
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doublereal Fcent = (1.0 - m_a) * exp(- T * m_rt3)
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@ -259,20 +245,16 @@ public:
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}
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protected:
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//! parameter a in the 4-parameter Troe falloff function. This is
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//! unitless.
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//! parameter a in the 4-parameter Troe falloff function. Dimensionless
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doublereal m_a;
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//! parameter 1/T_3 in the 4-parameter Troe falloff function. This has
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//! units of Kelvin-1.
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//! parameter 1/T_3 in the 4-parameter Troe falloff function. [K^-1]
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doublereal m_rt3;
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//! parameter 1/T_1 in the 4-parameter Troe falloff function. This has
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//! units of Kelvin-1.
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//! parameter 1/T_1 in the 4-parameter Troe falloff function. [K^-1]
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doublereal m_rt1;
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//! parameter T_2 in the 4-parameter Troe falloff function. This has
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//! units of Kelvin.
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//! parameter T_2 in the 4-parameter Troe falloff function. [K]
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doublereal m_t2;
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};
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@ -317,12 +299,9 @@ public:
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//! Update the temperature parameters in the representation
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/*!
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* The workspace has a length of one
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*
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* @param T Temperature (Kelvin)
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* @param work Vector of working space representing
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* the temperature dependent part of the
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* parameterization.
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* @param work Vector of working space, length 1, representing the
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* temperature-dependent part of the parameterization.
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*/
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virtual void updateTemp(doublereal T, doublereal* work) const {
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*work = m_a * exp(- m_b / T);
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@ -342,16 +321,13 @@ public:
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}
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protected:
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//! parameter a in the 3-parameter SRI falloff function. This is
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//! unitless.
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//! parameter a in the 3-parameter SRI falloff function. Dimensionless.
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doublereal m_a;
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//! parameter b in the 3-parameter SRI falloff function. This has units
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//! of Kelvin.
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//! parameter b in the 3-parameter SRI falloff function. [K]
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doublereal m_b;
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//! parameter c in the 3-parameter SRI falloff function. This has units
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//! of Kelvin.
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//! parameter c in the 3-parameter SRI falloff function. [K]
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doublereal m_c;
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};
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@ -372,10 +348,7 @@ protected:
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* \f$ c \f$ s required to greater than or equal to zero. If it is zero, then
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* the corresponding term is set to zero.
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*
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* m_c is required to greater than or equal to zero. If it is zero, then the
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* corresponding term is set to zero.
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*
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* m_d is required to be greater than zero.
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* \f$ d \f$ is required to be greater than zero.
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*
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* @ingroup falloffGroup
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*/
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@ -408,12 +381,9 @@ public:
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//! Update the temperature parameters in the representation
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/*!
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* The workspace has a length of two
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*
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* @param T Temperature (Kelvin)
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* @param work Vector of working space representing
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* the temperature dependent part of the
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* parameterization.
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* @param work Vector of working space, length 2, representing the
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* temperature-dependent part of the parameterization.
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*/
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virtual void updateTemp(doublereal T, doublereal* work) const {
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*work = m_a * exp(- m_b / T);
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@ -434,21 +404,19 @@ public:
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}
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protected:
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//! parameter a in the 5-parameter SRI falloff function. This is unitless.
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//! parameter a in the 5-parameter SRI falloff function. Dimensionless.
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doublereal m_a;
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//! parameter b in the 5-parameter SRI falloff function. This has units of
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//! Kelvin.
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//! parameter b in the 5-parameter SRI falloff function. [K]
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doublereal m_b;
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//! parameter c in the 5-parameter SRI falloff function. This has units of
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//! Kelvin.
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//! parameter c in the 5-parameter SRI falloff function. [K]
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doublereal m_c;
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//! parameter d in the 5-parameter SRI falloff function. This is unitless.
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//! parameter d in the 5-parameter SRI falloff function. Dimensionless.
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doublereal m_d;
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//! parameter d in the 5-parameter SRI falloff function. This is unitless.
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//! parameter d in the 5-parameter SRI falloff function. Dimensionless.
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doublereal m_e;
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};
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