Calculation of Collision integrals. More...

#include <MMCollisionInt.h>

Public Member Functions
	MMCollisionInt ()
	Default Constructor.

virtual	~MMCollisionInt ()
	Destructor.

void	init (XML_Writer *xml, doublereal tsmin, doublereal tsmax, int loglevel=0)
	Initialize the object for calculation.

doublereal	omega22 (double ts, double deltastar)
	omega22

doublereal	astar (double ts, double deltastar)
	astar

doublereal	bstar (double ts, double deltastar)
	bstar

doublereal	cstar (double ts, double deltastar)
	cstar

void	fit (std::ostream &logfile, int degree, doublereal deltastar, doublereal astar, doublereal bstar, doublereal *cstar)
	fit

void	fit_omega22 (std::ostream &logfile, int degree, doublereal deltastar, doublereal *om22)
	fit_omega22

doublereal	omega11 (double ts, double deltastar)
	omega11

Private Member Functions
doublereal	fitDelta (int table, int ntstar, int degree, doublereal *c)
	Fit delta.

Private Attributes
std::vector< vector_fp >	m_o22poly
	m_o22poly

std::vector< vector_fp >	m_apoly
	m_apoly

std::vector< vector_fp >	m_bpoly
	m_bpoly

std::vector< vector_fp >	m_cpoly
	m_cpoly

vector_fp	m_logTemp
	Log temp.

int	m_nmin
	nmin

int	m_nmax
	nmax

XML_Writer *	m_xml
	XML_Writer pointer.

int	m_loglevel
	loglevel

Static Private Attributes
static doublereal	delta [8]
	delta

static doublereal	tstar22 [37]
	tstar22

static doublereal	omega22_table [37 *8]
	Table of omega22 values from MM.

static doublereal	tstar [39]
	tstar

static doublereal	astar_table [39 *8]
	astar table from MM

static doublereal	bstar_table [39 *8]
	bstar table from MM

static doublereal	cstar_table [39 *8]
	cstar table from MM

Detailed Description

Calculation of Collision integrals.

This class provides functions that interpolate the tabulated collision integrals in Monchick and Mason, "Transport Properties of Polar Gases," J. Chem. Phys. (1961)

Definition at line 53 of file MMCollisionInt.h.

Constructor & Destructor Documentation

MMCollisionInt ( )

Default Constructor.

Definition at line 230 of file MMCollisionInt.cpp.

~MMCollisionInt ( )

virtual

Destructor.

Definition at line 234 of file MMCollisionInt.cpp.

Member Function Documentation

void init	(	XML_Writer *	xml,
		doublereal	tsmin,
		doublereal	tsmax,
		int	loglevel = `0`
	)

Initialize the object for calculation.

Parameters

xml	Pointer to the log file that will receive the debug output messages
tsmin	Minimum value of Tstar to carry out the fitting
tsmax	Maximum value of Tstar to carry out the fitting
loglevel	Set the loglevel for the object. The default loglevel is zero, indicating no output.

Definition at line 248 of file MMCollisionInt.cpp.

References DATA_PTR.

Referenced by TransportFactory::setupMM().

doublereal omega22	(	double	ts,
		double	deltastar
	)

omega22

Parameters

ts
deltastar

Definition at line 406 of file MMCollisionInt.cpp.

References DATA_PTR, and Cantera::poly5().

Referenced by TransportFactory::fitProperties(), TransportFactory::getBinDiffCorrection(), and MMCollisionInt::omega11().

doublereal astar	(	double	ts,
		double	deltastar
	)

astar

Parameters

ts
deltastar

Definition at line 435 of file MMCollisionInt.cpp.

References DATA_PTR, and Cantera::poly5().

Referenced by TransportFactory::getBinDiffCorrection(), and MMCollisionInt::omega11().

doublereal bstar	(	double	ts,
		double	deltastar
	)

bstar

Parameters

ts
deltastar

Definition at line 465 of file MMCollisionInt.cpp.

References DATA_PTR, and Cantera::poly5().

Referenced by TransportFactory::getBinDiffCorrection().

doublereal cstar	(	double	ts,
		double	deltastar
	)

cstar

Parameters

ts
deltastar

Definition at line 494 of file MMCollisionInt.cpp.

References DATA_PTR, and Cantera::poly5().

Referenced by TransportFactory::getBinDiffCorrection().

void fit	(	std::ostream &	logfile,
		int	degree,
		doublereal	deltastar,
		doublereal *	astar,
		doublereal *	bstar,
		doublereal *	cstar
	)

fit

Parameters

logfile
degree
deltastar
astar
bstar
cstar

Definition at line 554 of file MMCollisionInt.cpp.

References DATA_PTR, Cantera::poly5(), and Cantera::polyfit().

Referenced by TransportFactory::fitCollisionIntegrals().

void fit_omega22	(	std::ostream &	logfile,
		int	degree,
		doublereal	deltastar,
		doublereal *	om22
	)

fit_omega22

Parameters

logfile
degree
deltastar
om22

Definition at line 524 of file MMCollisionInt.cpp.

References DATA_PTR, Cantera::poly5(), and Cantera::polyfit().

Referenced by TransportFactory::fitCollisionIntegrals().

doublereal omega11	(	double	ts,
		double	deltastar
	)

inline

omega11

Parameters

ts
deltastar

Definition at line 131 of file MMCollisionInt.h.

References MMCollisionInt::astar(), and MMCollisionInt::omega22().

Referenced by TransportFactory::fitProperties(), and TransportFactory::getBinDiffCorrection().

doublereal fitDelta	(	int	table,
		int	ntstar,
		int	degree,
		doublereal *	c
	)

private

Fit delta.

Parameters

table
ntstar
degree
c	C is probable the output vector

Returns

Definition at line 380 of file MMCollisionInt.cpp.

References DATA_PTR, and Cantera::polyfit().

Member Data Documentation

std::vector<vector_fp> m_o22poly

private

m_o22poly

Definition at line 149 of file MMCollisionInt.h.

std::vector<vector_fp> m_apoly

private

m_apoly

Definition at line 152 of file MMCollisionInt.h.

std::vector<vector_fp> m_bpoly

private

m_bpoly

Definition at line 154 of file MMCollisionInt.h.

std::vector<vector_fp> m_cpoly

private

m_cpoly

Definition at line 157 of file MMCollisionInt.h.

doublereal delta[8]

staticprivate

delta

Definition at line 160 of file MMCollisionInt.h.

doublereal tstar22[37]

staticprivate

tstar22

Definition at line 163 of file MMCollisionInt.h.

doublereal omega22_table[37 *8]

staticprivate

Table of omega22 values from MM.

Definition at line 166 of file MMCollisionInt.h.

doublereal tstar[39]

staticprivate

tstar

table of tstar values

Definition at line 172 of file MMCollisionInt.h.

doublereal astar_table[39 *8]

staticprivate

astar table from MM

Definition at line 175 of file MMCollisionInt.h.

doublereal bstar_table[39 *8]

staticprivate

bstar table from MM

Definition at line 178 of file MMCollisionInt.h.

doublereal cstar_table[39 *8]

staticprivate

cstar table from MM

Definition at line 181 of file MMCollisionInt.h.

vector_fp m_logTemp

private

Log temp.

Definition at line 184 of file MMCollisionInt.h.

int m_nmin

private

nmin

Definition at line 187 of file MMCollisionInt.h.

int m_nmax

private

nmax

Definition at line 190 of file MMCollisionInt.h.

XML_Writer* m_xml

private

XML_Writer pointer.

Definition at line 193 of file MMCollisionInt.h.

int m_loglevel

private

loglevel

Definition at line 196 of file MMCollisionInt.h.

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

Public Member Functions

Private Member Functions

Private Attributes

Static Private Attributes

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation