Troe4 Class Reference
[Falloff Parameterizations]

The 4-parameter Troe falloff parameterization. More...

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List of all members.

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

Detailed Description

The 4-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

\[ F_{cent} = (1 - A)\exp(-T/T_3) + A \exp(-T/T_1) + \exp(-T_2/T) \]

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

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

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

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.

T_2 is required to be greater than zero.

Definition at line 213 of file FalloffFactory.cpp.


Constructor & Destructor Documentation

Troe4 (  )  [inline]

Constructor.

Definition at line 216 of file FalloffFactory.cpp.

virtual ~Troe4 (  )  [inline, virtual]

Destructor.

Definition at line 220 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 275 of file FalloffFactory.cpp.

References Cantera::fmaxx(), and Cantera::SmallNumber.

virtual void init ( const vector_fp &  c  )  [inline, virtual]

Initialization of the object.

Parameters:
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

Parameters:
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.


Member Data Documentation

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().


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