Troe3 Class Reference
[Falloff Parameterizations]
The 3-parameter Troe falloff parameterization. More...
Public Member Functions | |
| Troe3 () | |
| Default constructor. | |
| virtual | ~Troe3 () |
| Destructor. Does nothing. | |
| virtual void | init (const vector_fp &c) |
| Initialize. | |
| virtual void | updateTemp (doublereal T, workPtr work) const |
| Update the temperature parameters in the representation. | |
| virtual doublereal | F (doublereal pr, const_workPtr work) const |
| Function that returns F | |
| virtual size_t | workSize () |
| Utility function that returns the size of the workspace. | |
Protected Attributes | |
| doublereal | m_a |
| parameter a in the 4-parameter Troe falloff function | |
| doublereal | m_rt3 |
| parameter 1/T_3 in the 4-parameter Troe falloff function | |
| doublereal | m_rt1 |
| parameter 1/T_1 in the 4-parameter Troe falloff function | |
Detailed Description
The 3-parameter Troe falloff parameterization.
The falloff function defines the value of 
in the following rate expression
![\[ k = k_{\infty} \left( \frac{P_r}{1 + P_r} \right) F \]](form_498.png)
where
![\[ P_r = \frac{k_0 [M]}{k_{\infty}} \]](form_499.png)
This parameterization is defined by
![\[ F = F_{cent}^{1/(1 + f_1^2)} \]](form_500.png)
where
![\[ F_{cent} = (1 - A)\exp(-T/T_3) + A \exp(-T/T_1) \]](form_501.png)
![\[ f_1 = (\log_{10} P_r + C) / \left(N - 0.14 (\log_{10} P_r + C)\right) \]](form_502.png)
![\[ C = -0.4 - 0.67 \log_{10} F_{cent} \]](form_503.png)
![\[ N = 0.75 - 1.27 \log_{10} F_{cent} \]](form_504.png)
There are a few requirements for the parameters
T_3 is required to greater than or equal to zero. If it is zero, then the term is set to zero.
T_1 is required to greater than or equal to zero. If it is zero, then the term is set to zero.
Definition at line 72 of file FalloffFactory.cpp.
Constructor & Destructor Documentation
| Troe3 | ( | ) | [inline] |
Default constructor.
Definition at line 76 of file FalloffFactory.cpp.
| virtual ~Troe3 | ( | ) | [inline, virtual] |
Destructor. Does nothing.
Definition at line 79 of file FalloffFactory.cpp.
Member Function Documentation
| virtual doublereal F | ( | doublereal | pr, | |
| const_workPtr | work | |||
| ) | const [inline, virtual] |
Function that returns F
- Parameters:
-
pr Value of the reduced pressure for this reaction work Pointer to the previously saved work space
Implements Falloff.
Definition at line 129 of file FalloffFactory.cpp.
References Cantera::fmaxx(), and Cantera::SmallNumber.
| virtual void init | ( | const vector_fp & | c | ) | [inline, virtual] |
Initialize.
- Parameters:
-
c Coefficient vector of length 3, with entries 
Implements Falloff.
Definition at line 86 of file FalloffFactory.cpp.
References Troe3::m_a, Troe3::m_rt1, and Troe3::m_rt3.
| virtual void updateTemp | ( | doublereal | T, | |
| workPtr | work | |||
| ) | const [inline, virtual] |
Update the temperature parameters in the representation.
The workspace has a length of one
- Parameters:
-
T Temperature (Kelvin) work Vector of working space representing the temperature dependent part of the parameterization.
Reimplemented from Falloff.
Definition at line 118 of file FalloffFactory.cpp.
References Cantera::fmaxx(), Troe3::m_a, Troe3::m_rt1, Troe3::m_rt3, and Cantera::SmallNumber.
| virtual size_t workSize | ( | ) | [inline, virtual] |
Utility function that returns the size of the workspace.
Implements Falloff.
Definition at line 140 of file FalloffFactory.cpp.
Member Data Documentation
doublereal m_a [protected] |
parameter a in the 4-parameter Troe falloff function
This is unitless
Definition at line 148 of file FalloffFactory.cpp.
Referenced by Troe3::init(), and Troe3::updateTemp().
doublereal m_rt1 [protected] |
parameter 1/T_1 in the 4-parameter Troe falloff function
This has units of Kelvin-1
Definition at line 160 of file FalloffFactory.cpp.
Referenced by Troe3::init(), and Troe3::updateTemp().
doublereal m_rt3 [protected] |
parameter 1/T_3 in the 4-parameter Troe falloff function
This has units of Kelvin-1
Definition at line 154 of file FalloffFactory.cpp.
Referenced by Troe3::init(), and Troe3::updateTemp().
The documentation for this class was generated from the following file:
