e5a425be3c
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.
134 lines
3.8 KiB
C++
134 lines
3.8 KiB
C++
/**
|
|
*
|
|
* @file ThermoPhase.cpp
|
|
*/
|
|
|
|
/*
|
|
* $Author$
|
|
* $Date$
|
|
* $Revision$
|
|
*
|
|
* Copyright 2002 California Institute of Technology
|
|
*
|
|
*/
|
|
|
|
// turn off warnings under Windows
|
|
#ifdef WIN32
|
|
#pragma warning(disable:4786)
|
|
#pragma warning(disable:4503)
|
|
#endif
|
|
|
|
#include "ThermoPhase.h"
|
|
|
|
|
|
namespace Cantera {
|
|
|
|
|
|
void ThermoPhase::setState_HP(doublereal h, doublereal p,
|
|
doublereal tol) {
|
|
doublereal dt;
|
|
setPressure(p);
|
|
for (int n = 0; n < 20; n++) {
|
|
dt = (h - enthalpy_mass())/cp_mass();
|
|
if (dt > 100.0) dt = 100.0;
|
|
else if (dt < -100.0) dt = -100.0;
|
|
setState_TP(temperature() + dt, p);
|
|
if (fabs(dt) < tol) {
|
|
return;
|
|
}
|
|
}
|
|
throw CanteraError("setState_HP","no convergence. dt = " + fp2str(dt));
|
|
}
|
|
|
|
void ThermoPhase::setState_UV(doublereal u, doublereal v,
|
|
doublereal tol) {
|
|
doublereal dt;
|
|
setDensity(1.0/v);
|
|
for (int n = 0; n < 20; n++) {
|
|
dt = (u - intEnergy_mass())/cv_mass();
|
|
if (dt > 100.0) dt = 100.0;
|
|
else if (dt < -100.0) dt = -100.0;
|
|
setTemperature(temperature() + dt);
|
|
if (fabs(dt) < tol) {
|
|
return;
|
|
}
|
|
}
|
|
throw CanteraError("setState_UV","no convergence. dt = " + fp2str(dt));
|
|
}
|
|
|
|
void ThermoPhase::setState_SP(doublereal s, doublereal p,
|
|
doublereal tol) {
|
|
doublereal dt;
|
|
setPressure(p);
|
|
for (int n = 0; n < 20; n++) {
|
|
dt = (s - entropy_mass())*temperature()/cp_mass();
|
|
if (dt > 100.0) dt = 100.0;
|
|
else if (dt < -100.0) dt = -100.0;
|
|
setState_TP(temperature() + dt, p);
|
|
if (fabs(dt) < tol) {
|
|
return;
|
|
}
|
|
}
|
|
throw CanteraError("setState_SP","no convergence. dt = " + fp2str(dt));
|
|
}
|
|
|
|
void ThermoPhase::setState_SV(doublereal s, doublereal v,
|
|
doublereal tol) {
|
|
doublereal dt;
|
|
setDensity(1.0/v);
|
|
for (int n = 0; n < 20; n++) {
|
|
dt = (s - entropy_mass())*temperature()/cv_mass();
|
|
if (dt > 100.0) dt = 100.0;
|
|
else if (dt < -100.0) dt = -100.0;
|
|
setTemperature(temperature() + dt);
|
|
if (fabs(dt) < tol) {
|
|
return;
|
|
}
|
|
}
|
|
throw CanteraError("setState_SV","no convergence. dt = " + fp2str(dt));
|
|
}
|
|
|
|
doublereal ThermoPhase::err(string msg) const {
|
|
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;
|
|
}
|
|
}
|
|
|
|
}
|
|
|
|
|
|
|
|
|