Detailed Description

HACA growth model

Definition at line 14 of file growthModel_HACA.h.

#include <growthModel_HACA.h>

Public Member Functions
double	getGrowthSootRate (const state &state) const override

	growthModel_HACA ()

	~growthModel_HACA () override=default

Public Member Functions inherited from soot::growthModel
virtual double	getGrowthSootRate (const state &state) const =0

void	getGrowthGasRates (const double &msootDotGrow, std::vector< double > &gasSourcesGrow) const

	growthModel ()

virtual	~growthModel ()=default

Additional Inherited Members
Public Attributes inherited from soot::growthModel
sootModel *	SM
	back pointer to soot model More...

growthMech	mechType
	identity of the type of growth (child) More...

std::vector< double >	growthRxnRatios
	mole ratios for gas species rate coupling More...

Constructor & Destructor Documentation

◆ growthModel_HACA()

growthModel_HACA::growthModel_HACA ( )

Definition at line 10 of file growthModel_HACA.cc.

◆ ~growthModel_HACA()

soot::growthModel_HACA::~growthModel_HACA ( )

overridedefault

Member Function Documentation

◆ getGrowthSootRate()

double growthModel_HACA::getGrowthSootRate ( const state & state ) const

overridevirtual

HACA via ABF mechanism: Appel, Bockhorn, Frenklach, Combustion and Flame 121:122-136 (2000). See also see Franklach and Wang (1990), 23rd Symposium, pp. 1559-1566. Parameters for steric factor alpha updated to those given in Balthasar and Franklach (2005) Comb. & Flame 140:130-145.

Reactions:

Cs-H + H <==> Cs* + H2
Cs-H + OH <==> Cs* + H2O
Cs* + H ==> Cs-H
Cs* + C2H2 ==> (CsCs)Cs-H + H
Cs* + O2 ==> 2CO + (products) ( 6. Cs-H + OH ==> CO + (products) )

The key reaction is Rxn 4. The rest are used to get Cs* from a QSSA. Rxn 6 is oxidation via OH, treated in the oxidation mechanism elsewhere. Rxn 5 is used here to compute Cs*, but oxidation balance is done elsewhere.

Note, in terms of species balance, soot is treated as carbon, and we could use a simple balance n*soot + C2H2 ==> (n+2)*soot + H2. However, the reations and growthRxnRatios here are self-consistent, so we'll use those.

Rates: See Frenklach and Wang, Proceedings of the Combustion Institute 23:1559-1566 (1990). kf4 = 8E7*T**1.56*exp(-3.8/RT) has units of cm3/(mol*site*s). Hence, kf4*[C2H2]*alpha*(Chi_Cs*) = cm3/(mol*site*s)*(mol/cm3)*alpha*(sites/cm2) = rxns/(cm2*s) If reactions happen at soot sites, then * mc to get kg_c/(cm2*s), where mc is the mass of a carbon atom. This is not so obvious from Frenklach and Wang, but see Balthasar and Frenklach, Combustion and Flame 140:130-145(2005).

The reverse reaction rates are from Ken Revzan and Frenklach 02/15/02 code soot.f: http://combustion.berkeley.edu/soot/codes/routines.html Those rates are also in cantera: test/data/haca2.yaml

The a_param and b_param values are from Blathasar and Frenklach (2005).

Parameters

state input: gas and soot state, set by user.

Returns: soot growth rate (kg/m2*s)

Implements soot::growthModel.

Definition at line 63 of file growthModel_HACA.cc.

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

/Users/dol4/Desktop/sootlib/src/growthModels/growthModel_HACA.h
/Users/dol4/Desktop/sootlib/src/growthModels/growthModel_HACA.cc