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Added a function getUnitsStandardConc() that will report in a vector

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form what the units are (in MKS) for the standard and generalized
concentrations.
This is used to find what the units are for reaction rate constants and
is used by cttables to actually print out the units for reaction
rate constants.
This commit is contained in:
Harry Moffat 2003-08-02 00:24:30 +00:00
parent 70c432b7f4
commit e5a425be3c
2 changed files with 63 additions and 4 deletions
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35
Cantera/src/ThermoPhase.cpp
View file

@ -92,7 +92,40 @@ namespace Cantera {
throw CanteraError("ThermoPhase","Base class method "
+msg+" called.");
return 0;
}
}
/**
* Returns the units of the standard and general concentrations
* Note they have the same units, as their divisor is
* defined to be equal to the activity of the kth species
* in the solution, which is unitless.
*
* This routine is used in print out applications where the
* units are needed. Usually, MKS units are assumed throughout
* the program and in the XML input files.
*
* On return uA contains the powers of the units (MKS assumed)
* of the standard concentrations and generalized concentrations
* for the kth species.
*
* uA[0] = kmol units - default = 1
* uA[1] = m units - default = -nDim(), the number of spatial
* dimensions in the Phase class.
* uA[2] = kg units - default = 0;
* uA[3] = Pa(pressure) units - default = 0;
* uA[4] = Temperature units - default = 0;
* uA[5] = time units - default = 0
*/
void ThermoPhase::getUnitsStandardConc(double *uA, int k, int sizeUA) {
for (int i = 0; i < sizeUA; i++) {
if (i == 0) uA[0] = 1.0;
if (i == 1) uA[1] = -nDim();
if (i == 2) uA[2] = 0.0;
if (i == 3) uA[3] = 0.0;
if (i == 4) uA[4] = 0.0;
if (i == 5) uA[5] = 0.0;
}
}
}

32
Cantera/src/ThermoPhase.h
View file

@ -23,6 +23,8 @@ namespace Cantera {
class XML_Node;
/**
* @defgroup thermoprops Thermodynamic Properties
*
@ -54,7 +56,8 @@ namespace Cantera {
virtual ~ThermoPhase() {
delete m_spthermo;
delete m_speciesData;
// Taking this out because I think i don't own it
//delete m_speciesData;
m_spthermo = 0;
m_speciesData = 0;
}
@ -287,13 +290,16 @@ namespace Cantera {
return -1.0;
}
/** The natural logarithm of the standard concentration. */
/**
*
* Returns the natural logarithm of the standard
* concentration of the kth species
*/
virtual doublereal logStandardConc(int k=0) const {
err("logStandardConc");
return -1.0;
}
/** Get the array of chemical potentials at unit activity \f$
* \mu^0_k \f$.
*/
@ -301,6 +307,26 @@ namespace Cantera {
err("getStandardChemPotentials");
}
/**
* Returns the units of the standard and general concentrations
* Note they have the same units, as their divisor is
* defined to be equal to the activity of the kth species
* in the solution, which is unitless.
*
* This routine is used in print out applications where the
* units are needed. Usually, MKS units are assumed throughout
* the program and in the XML input files.
*
* uA[0] = kmol units - default = 1
* uA[1] = m units - default = -nDim(), the number of spatial
* dimensions in the Phase class.
* uA[2] = kg units - default = 0;
* uA[3] = Pa(pressure) units - default = 0;
* uA[4] = Temperature units - default = 0;
* uA[5] = time units - default = 0
*/
virtual void getUnitsStandardConc(double *uA, int k = 0,
int sizeUA = 6);
/**
* Get the array of non-dimensional chemical potentials \f$