Cantera  2.0
Troe3 Class Reference

The 3-parameter Troe falloff parameterization. More...

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## Public Member Functions

Troe3 ()
Default constructor.

virtual ~Troe3 ()
Destructor. Does nothing.

virtual void init (const vector_fp &c)
Initialize.

virtual void updateTemp (doublereal T, doublereal *work) const
Update the temperature parameters in the representation.

virtual doublereal F (doublereal pr, const doublereal *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 $$F$$ in the following rate expression

$k = k_{\infty} \left( \frac{P_r}{1 + P_r} \right) F$

where

$P_r = \frac{k_0 [M]}{k_{\infty}}$

This parameterization is defined by

$F = F_{cent}^{1/(1 + f_1^2)}$

where

$F_{cent} = (1 - A)\exp(-T/T_3) + A \exp(-T/T_1)$

$f_1 = (\log_{10} P_r + C) / \left(N - 0.14 (\log_{10} P_r + C)\right)$

$C = -0.4 - 0.67 \log_{10} F_{cent}$

$N = 0.75 - 1.27 \log_{10} F_{cent}$

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 63 of file FalloffFactory.cpp.

## Constructor & Destructor Documentation

 Troe3 ( )
inline

Default constructor.

Definition at line 68 of file FalloffFactory.cpp.

 virtual ~Troe3 ( )
inlinevirtual

Destructor. Does nothing.

Definition at line 71 of file FalloffFactory.cpp.

## Member Function Documentation

 virtual void init ( const vector_fp & c )
inlinevirtual

Initialize.

Parameters
 c Coefficient vector of length 3, with entries $$(A, T_3, T_1)$$

Implements Falloff.

Definition at line 78 of file FalloffFactory.cpp.

References Troe3::m_a, Troe3::m_rt1, and Troe3::m_rt3.

 virtual void updateTemp ( doublereal T, doublereal * work ) const
inlinevirtual

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 110 of file FalloffFactory.cpp.

References Troe3::m_a, Troe3::m_rt1, Troe3::m_rt3, ckr::max(), and Cantera::SmallNumber.

 virtual doublereal F ( doublereal pr, const doublereal * work ) const
inlinevirtual

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 121 of file FalloffFactory.cpp.

References ckr::max(), and Cantera::SmallNumber.

 virtual size_t workSize ( )
inlinevirtual

Utility function that returns the size of the workspace.

Implements Falloff.

Definition at line 132 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 142 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 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 154 of file FalloffFactory.cpp.

Referenced by Troe3::init(), and Troe3::updateTemp().

The documentation for this class was generated from the following file: