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 |
The 3-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.
Definition at line 72 of file FalloffFactory.cpp.
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.
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 129 of file FalloffFactory.cpp.
References Cantera::fmaxx(), and Cantera::SmallNumber.
virtual void init | ( | const vector_fp & | c | ) | [inline, virtual] |
Initialize.
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
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.
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().