MMCollisionInt Class Reference

Calculation of Collision integrals. More...

#include <MMCollisionInt.h>

Public Member Functions
void	init (XML_Writer *xml, doublereal tsmin, doublereal tsmax, int loglevel=0)
	Initialize the object for calculation. More...
doublereal	omega22 (double ts, double deltastar)
doublereal	astar (double ts, double deltastar)
doublereal	bstar (double ts, double deltastar)
doublereal	cstar (double ts, double deltastar)
void	fit (std::ostream &logfile, int degree, doublereal deltastar, doublereal *astar, doublereal *bstar, doublereal *cstar)
void	fit_omega22 (std::ostream &logfile, int degree, doublereal deltastar, doublereal *om22)
doublereal	omega11 (double ts, double deltastar)

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

Private Attributes
std::vector< vector_fp >	m_o22poly
std::vector< vector_fp >	m_apoly
std::vector< vector_fp >	m_bpoly
std::vector< vector_fp >	m_cpoly
vector_fp	m_logTemp
	Log temp. More...
int	m_nmin
int	m_nmax
XML_Writer *	m_xml
	XML_Writer pointer. More...
int	m_loglevel
	loglevel More...

Static Private Attributes
static doublereal	delta [8]
static doublereal	tstar22 [37]
static doublereal	omega22_table [37 *8]
	Table of omega22 values from MM. More...
static doublereal	tstar [39]
	tstar More...
static doublereal	astar_table [39 *8]
	astar table from MM More...
static doublereal	bstar_table [39 *8]
	bstar table from MM More...
static doublereal	cstar_table [39 *8]
	cstar table from MM More...

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 25 of file MMCollisionInt.h.

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 227 of file MMCollisionInt.cpp.

References DATA_PTR.

Referenced by TransportFactory::setupMM().

Member Data Documentation

double delta

staticprivate

Initial value:

= {0.0, 0.25, 0.50, 0.75, 1.0,
                                   1.5, 2.0, 2.5
                                  }

Definition at line 63 of file MMCollisionInt.h.

double tstar22

staticprivate

Initial value:

= {
    0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0,
    1.2, 1.4, 1.6, 1.8, 2.0, 2.5, 3.0, 3.5, 4.0,
    5.0, 6.0, 7.0, 8.0, 9.0, 10.0, 12.0, 14.0, 16.0,
    18.0, 20.0, 25.0, 30.0, 35.0, 40.0, 50.0, 75.0, 100.0
}

Definition at line 65 of file MMCollisionInt.h.

double omega22_table

staticprivate

Table of omega22 values from MM.

Definition at line 68 of file MMCollisionInt.h.

double tstar

staticprivate

Initial value:

= {
    0.0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0,
    1.2, 1.4, 1.6, 1.8, 2.0, 2.5, 3.0, 3.5, 4.0,
    5.0, 6.0, 7.0, 8.0, 9.0, 10.0, 12.0, 14.0, 16.0,
    18.0, 20.0, 25.0, 30.0, 35.0, 40.0, 50.0, 75.0, 100.0, 500.0
}

tstar

table of tstar values

Definition at line 74 of file MMCollisionInt.h.

double astar_table

staticprivate

astar table from MM

Definition at line 77 of file MMCollisionInt.h.

double bstar_table

staticprivate

bstar table from MM

Definition at line 80 of file MMCollisionInt.h.

double cstar_table

staticprivate

cstar table from MM

Definition at line 83 of file MMCollisionInt.h.

vector_fp m_logTemp

private

Log temp.

Definition at line 86 of file MMCollisionInt.h.

XML_Writer* m_xml

private

XML_Writer pointer.

Definition at line 93 of file MMCollisionInt.h.

int m_loglevel

private

loglevel

Definition at line 96 of file MMCollisionInt.h.

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

• MMCollisionInt.h
• MMCollisionInt.cpp