Detailed Description

PAH nucleation model (Blanquart)

Definition at line 15 of file nucleationModel_PAH.h.

#include <nucleationModel_PAH.h>

Public Member Functions
double	getNucleationSootRate (state &state) override

	nucleationModel_PAH ()

	~nucleationModel_PAH () override=default

Public Member Functions inherited from soot::nucleationModel
virtual double	getNucleationSootRate (state &state)=0

void	getNucleationGasRates (const double &msootDotNucl, std::vector< double > &gasSourcesNucl) const

	nucleationModel ()

virtual	~nucleationModel ()=default

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

nucleationMech	mechType
	identity of the type of nucleation (child) More...

dimerStruct	DIMER = dimerStruct()
	used for PAH nucleation only More...

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

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

Constructor & Destructor Documentation

◆ nucleationModel_PAH()

nucleationModel_PAH::nucleationModel_PAH ( )

Definition at line 10 of file nucleationModel_PAH.cc.

◆ ~nucleationModel_PAH()

soot::nucleationModel_PAH::~nucleationModel_PAH ( )

overridedefault

Member Function Documentation

◆ getNucleationSootRate()

double nucleationModel_PAH::getNucleationSootRate ( state & state )

overridevirtual

Rate from Blanquart & Pitsch (2009) article "A joint volume-surface-hydrogen multi-variate model for soot formation," ch. 27 in Combustion Generated Fine Carbonaceous Particles ed. Bockhorn et al. PAH + PAH --> Dimer Dimer + Dimer --> (soot nucleation) + (condensation)

nDoti = dn_PAHi/dt = gamma_i*beta_i,i * n_PAH_i^2 (ignoring the neg sign here)

nDotD = dn_D/dt = sum_i( 0.5*nDoti ) half as many dimers formed as pah lost

mDimer = sum_i( nDoti*m_PAHi ) / sum_i( nDoti ) = sum_i( nDoti*m_PAHi ) / (2*nDotD)

Assume dimers are in steady state. Use to solve for nD (quadratic equation)

beta_DD*(nD)^2 + (sum_i beta_D,s_i * n_si)*(nD) - nDotD = 0 (kill by soot nuc from D) + (kill by dimer condensation on soot) - (form by PAH) = 0

PAH --> D --> soot as C, with H coming off as H2

Parameters

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

Returns: soot nucleation rate (#/m3*s)

Implements soot::nucleationModel.

Definition at line 47 of file nucleationModel_PAH.cc.

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

/Users/dol4/Desktop/sootlib/src/nucleationModels/nucleationModel_PAH.h
/Users/dol4/Desktop/sootlib/src/nucleationModels/nucleationModel_PAH.cc