Cantera
2.3.0

Pressuredependent reaction rate expressed by logarithmically interpolating between Arrhenius rate expressions at various pressures. More...
#include <RxnRates.h>
Public Member Functions  
Plog ()  
Default constructor. More...  
Plog (const std::multimap< double, Arrhenius > &rates)  
Constructor from Arrhenius rate expressions at a set of pressures. More...  
void  update_C (const doublereal *c) 
Update concentrationdependent parts of the rate coefficient. More...  
doublereal  updateRC (doublereal logT, doublereal recipT) const 
Update the value the rate constant. More...  
void  validate (const std::string &equation) 
Check to make sure that the rate expression is finite over a range of temperatures at each interpolation pressure. More...  
std::vector< std::pair< double, Arrhenius > >  rates () const 
Return the pressures and Arrhenius expressions which comprise this reaction. More...  
Static Public Member Functions  
static int  type () 
return the rate coefficient type. More...  
Protected Attributes  
std::map< double, std::pair< size_t, size_t > >  pressures_ 
log(p) to (index range) in the rates_ vector More...  
std::vector< Arrhenius >  rates_ 
double  logP_ 
log(p) at the current state More...  
double  logP1_ 
double  logP2_ 
log(p) at the lower / upper pressure reference More...  
size_t  ilow1_ 
Indices to the ranges within rates_ for the lower / upper pressure, such that rates_[ilow1_] through rates_[ilow2_] (inclusive) are the rates expressions which are combined to form the rate at the lower reference pressure. More...  
size_t  ilow2_ 
size_t  ihigh1_ 
size_t  ihigh2_ 
double  rDeltaP_ 
reciprocal of (logP2  logP1) More...  
Pressuredependent reaction rate expressed by logarithmically interpolating between Arrhenius rate expressions at various pressures.
Given two rate expressions at two specific pressures:
The rate at an intermediate pressure \( P_1 < P < P_2 \) is computed as
\[ \log k(T,P) = \log k_1(T) + \bigl(\log k_2(T)  \log k_1(T)\bigr) \frac{\log P  \log P_1}{\log P_2  \log P_1} \]
Multiple rate expressions may be given at the same pressure, in which case the rate used in the interpolation formula is the sum of all the rates given at that pressure. For pressures outside the given range, the rate expression at the nearest pressure is used.
Definition at line 211 of file RxnRates.h.

inline 
Default constructor.
Definition at line 220 of file RxnRates.h.
Constructor from Arrhenius rate expressions at a set of pressures.
Definition at line 63 of file RxnRates.cpp.
References Plog::pressures_, and Plog::rates().

inlinestatic 
return the rate coefficient type.
Definition at line 215 of file RxnRates.h.

inline 
Update concentrationdependent parts of the rate coefficient.
c  natural log of the pressure in Pa 
Definition at line 227 of file RxnRates.h.

inline 
Update the value the rate constant.
This function returns the actual value of the rate constant.
Definition at line 257 of file RxnRates.h.
References Plog::ilow1_, Plog::logP_, and Plog::rDeltaP_.
void validate  (  const std::string &  equation  ) 
Check to make sure that the rate expression is finite over a range of temperatures at each interpolation pressure.
This is potentially an issue when one of the Arrhenius expressions at a particular pressure has a negative preexponential factor.
Definition at line 91 of file RxnRates.cpp.
Referenced by PlogReaction::validate().
std::vector< std::pair< double, Arrhenius > > rates  (  )  const 
Return the pressures and Arrhenius expressions which comprise this reaction.
Definition at line 110 of file RxnRates.cpp.
Referenced by Plog::Plog().

protected 
log(p) to (index range) in the rates_ vector
Definition at line 294 of file RxnRates.h.
Referenced by Plog::Plog().

protected 
log(p) at the current state
Definition at line 299 of file RxnRates.h.
Referenced by Plog::updateRC().

protected 
log(p) at the lower / upper pressure reference
Definition at line 300 of file RxnRates.h.

protected 
Indices to the ranges within rates_ for the lower / upper pressure, such that rates_[ilow1_] through rates_[ilow2_] (inclusive) are the rates expressions which are combined to form the rate at the lower reference pressure.
Definition at line 306 of file RxnRates.h.
Referenced by Plog::updateRC().

protected 
reciprocal of (logP2  logP1)
Definition at line 308 of file RxnRates.h.
Referenced by Plog::updateRC().