The 4-parameter Troe falloff parameterization. More...
Public Member Functions | |
Troe4 () | |
Constructor. | |
virtual | ~Troe4 () |
Destructor. | |
virtual void | init (const vector_fp &c) |
Initialization of the object. | |
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 | |
doublereal | m_t2 |
parameter T_2 in the 4-parameter Troe falloff function |
The 4-parameter Troe falloff parameterization.
The falloff function defines the value of in the following rate expression
where
This parameterization is defined by
where
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.
T_2 is required to be greater than zero.
Definition at line 213 of file FalloffFactory.cpp.
Troe4 | ( | ) | [inline] |
Constructor.
Definition at line 216 of file FalloffFactory.cpp.
virtual ~Troe4 | ( | ) | [inline, virtual] |
Destructor.
Definition at line 220 of file FalloffFactory.cpp.
virtual doublereal F | ( | doublereal | pr, | |
const_workPtr | work | |||
) | const [inline, virtual] |
Function that returns F
pr | Value of the reduced pressure for this reaction | |
work | Pointer to the previously saved work space |
Implements Falloff.
Definition at line 275 of file FalloffFactory.cpp.
References Cantera::fmaxx(), and Cantera::SmallNumber.
virtual void init | ( | const vector_fp & | c | ) | [inline, virtual] |
Initialization of the object.
c | Vector of four doubles: The doubles are the parameters, a,, T_3, T_1, and T_2 of the SRI parameterization |
Implements Falloff.
Definition at line 228 of file FalloffFactory.cpp.
References Troe4::m_a, Troe4::m_rt1, Troe4::m_rt3, and Troe4::m_t2.
virtual void updateTemp | ( | doublereal | T, | |
workPtr | work | |||
) | const [inline, virtual] |
Update the temperature parameters in the representation.
The workspace has a length of one
T | Temperature (Kelvin) | |
work | Vector of working space representing the temperature dependent part of the parameterization. |
Reimplemented from Falloff.
Definition at line 263 of file FalloffFactory.cpp.
References Cantera::fmaxx(), Troe4::m_a, Troe4::m_rt1, Troe4::m_rt3, Troe4::m_t2, and Cantera::SmallNumber.
virtual size_t workSize | ( | ) | [inline, virtual] |
Utility function that returns the size of the workspace.
Implements Falloff.
Definition at line 286 of file FalloffFactory.cpp.
doublereal m_a [protected] |
parameter a in the 4-parameter Troe falloff function
This is unitless
Definition at line 294 of file FalloffFactory.cpp.
Referenced by Troe4::init(), and Troe4::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 306 of file FalloffFactory.cpp.
Referenced by Troe4::init(), and Troe4::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 300 of file FalloffFactory.cpp.
Referenced by Troe4::init(), and Troe4::updateTemp().
doublereal m_t2 [protected] |
parameter T_2 in the 4-parameter Troe falloff function
This has units of Kelvin
Definition at line 312 of file FalloffFactory.cpp.
Referenced by Troe4::init(), and Troe4::updateTemp().