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This commit is contained in:
Dave Goodwin 2003-11-14 04:36:49 +00:00
parent 2a64690ab7
commit d14283ea08
11 changed files with 175 additions and 39 deletions
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11
Cantera/clib/src/ctonedim.cpp
View file

@ -325,13 +325,22 @@ extern "C" {
IdealGasPhase* ph = (IdealGasPhase*)_thermo(iph);
AxiStagnFlow* x = new AxiStagnFlow(ph, ph->nSpecies(), 2);
x->setKinetics(*_kinetics(ikin));
x->setTransport(*_transport(ikin));
x->setTransport(*_transport(itr));
return Cabinet<Domain1D>::cabinet()->add(x);
}
catch (CanteraError) { return -1; }
}
int DLL_EXPORT stflow_setTransport(int i, int itr) {
try {
_stflow(i)->setTransport(*_transport(itr));
return 0;
}
catch (CanteraError) { return -1; }
}
int DLL_EXPORT stflow_setPressure(int i, double p) {
try {
_stflow(i)->setPressure(p);

1
Cantera/clib/src/ctonedim.h
View file

@ -45,6 +45,7 @@ extern "C" {
int DLL_IMPORT inlet_setSpreadRate(int i, double v);
int DLL_IMPORT stflow_new(int iph, int ikin, int itr);
int DLL_IMPORT stflow_setTransport(int i, int itr);
int DLL_IMPORT stflow_setPressure(int i, double p);
int DLL_IMPORT stflow_setFixedTempProfile(int i, int n, double* pos,
int m, double* temp);

4
Cantera/python/Cantera/OneD/onedim.py
View file

@ -316,6 +316,10 @@ class AxisymmetricFlow(Domain1D):
_cantera.stflow_setPressure(self._hndl, p)
self._p = p
def setTransportModel(self, transp):
itr = transp.transport_hndl()
_cantera.stflow_setTransport(self._hndl, itr)
def pressure(self):
return self._p

17
Cantera/python/Cantera/Transport.py
View file

@ -1,5 +1,6 @@
import _cantera
from Numeric import asarray
import exceptions
class Transport:
@ -32,6 +33,7 @@ class Transport:
self.__tr_id = _cantera.Transport(self.model,
phase._phase_id, loglevel)
self.trnsp = phase.nSpecies()
self._phase_id = phase._phase_id
self._models = {}
self._models[self.model] = self.__tr_id
@ -41,13 +43,26 @@ class Transport:
except:
pass
def addTransportModel(self, model, loglevel=1):
new_id = _cantera.Transport(model,
self._phase_id, loglevel)
self._models[model] = new_id
def switchTransportModel(self, model):
if self._models.has_key(model):
self.__tr_id = self._models[model]
else:
raise CanteraError("Transport model "+model+" not defined. Use "
+"method addTransportModel first.")
def desc(self):
if self.model == 'Multi':
return 'Multicomponent'
elif self.model == 'Mix':
return 'Mixture-averaged'
else:
return 'Unknown'
return self.model
def transport_id(self):
return self.__tr_id

13
Cantera/python/examples/flame2.py
View file

@ -26,7 +26,7 @@ tol_ss = [1.0e-5, 1.0e-9] # [rtol atol] for steady-state
# problem
tol_ts = [1.0e-5, 1.0e-4] # [rtol atol] for time stepping
loglevel = 1 # amount of diagnostic output (0
loglevel = 5 # amount of diagnostic output (0
# to 5)
refine_grid = 1 # 1 to enable refinement, 0 to
@ -39,6 +39,7 @@ refine_grid = 1 # 1 to enable refinement, 0 to
# and transport properties
#
gas = GRI30('Mix')
gas.addTransportModel('Multi')
# set its state to that of the unburned gas at the burner
gas.setState_TPX(tburner, p, comp)
@ -56,16 +57,22 @@ f.setRefineCriteria(ratio = 10.0, slope = 1, curve = 1)
f.setMaxJacAge(50, 50)
f.setTimeStep(1.0e-5, [1, 2, 5, 10, 20])
f.solve(loglevel,refine_grid)
f.solve(loglevel, refine_grid)
f.save('ch4_flame1.xml','no_energy',
'solution with the energy equation disabled')
f.set(energy = 'on')
f.setRefineCriteria(ratio = 3.0, slope = 0.1, curve = 0.2)
f.solve(loglevel,refine_grid)
f.solve(loglevel, refine_grid)
f.save('ch4_flame1.xml','energy',
'solution with the energy equation enabled')
gas.switchTransportModel('Multi')
f.flame.setTransportModel(gas)
f.solve(loglevel, refine_grid)
f.save('ch4_flame1.xml','energy_multi',
'solution with the energy equation enabled')
# write the velocity, temperature, and mole fractions to a CSV file
z = f.flame.grid()
T = f.T()

13
Cantera/python/src/ctonedim_methods.cpp
View file

@ -475,6 +475,19 @@ py_stflow_new(PyObject *self, PyObject *args)
}
static PyObject *
py_stflow_setTransport(PyObject *self, PyObject *args)
{
int _val;
int i, itr;
if (!PyArg_ParseTuple(args, "ii:stflow_setTransport", &i, &itr))
return NULL;
_val = stflow_setTransport(i,itr);
if (int(_val) == -1) return reportCanteraError();
return Py_BuildValue("i",_val);
}
static PyObject *
py_stflow_setPressure(PyObject *self, PyObject *args)
{

1
Cantera/python/src/methods.h
View file

@ -121,6 +121,7 @@ static PyMethodDef ct_methods[] = {
{"reactingsurf_new", py_reactingsurf_new, METH_VARARGS},
{"stflow_new", py_stflow_new, METH_VARARGS},
{"stflow_setPressure", py_stflow_setPressure, METH_VARARGS},
{"stflow_setTransport", py_stflow_setTransport, METH_VARARGS},
{"stflow_setFixedTempProfile", py_stflow_setFixedTempProfile, METH_VARARGS},
{"stflow_solveSpeciesEqs", py_stflow_solveSpeciesEqs, METH_VARARGS},
{"stflow_solveEnergyEqn", py_stflow_solveEnergyEqn, METH_VARARGS},

5
Cantera/src/Makefile.in
View file

@ -55,7 +55,10 @@ EVERYTHING = $(KINETICS) $(HETEROKIN) $(ELECTROCHEM) $(EQUIL) $(CK) \
$(TRANSPORT) $(REACTOR) $(RPATH) $(SOLVERS) $(FLOW1D)
all: @KERNEL@ lib
all: config.h @KERNEL@ lib
config.h: ../../config.h
cp -f ../../config.h ./config.h
base: $(BASE)

62
Cantera/src/config.h
View file

@ -1,3 +1,63 @@
/* ../config.h. Generated by configure. */
//
// Run the 'configure' script to generate 'config.h' from this input file.
//
#ifndef CT_CONFIG_H
#define CT_CONFIG_H
#include "../../config.h"
//------------------------ Fortran settings -------------------//
// define types doublereal, integer, and ftnlen to match the
// corresponding Fortran data types on your system. The defaults
// are OK for most systems
typedef double doublereal; // Fortran double precision
typedef int integer; // Fortran integer
typedef int ftnlen; // Fortran hidden string length type
// Fortran compilers pass character strings in argument lists by
// adding a hidden argement with the length of the string. Some
// compilers add the hidden length argument immediately after the
// CHARACTER variable being passed, while others put all of the hidden
// length arguments at the end of the argument list. Define this if
// the lengths are at the end of the argument list. This is usually the
// case for most unix Fortran compilers, but is (by default) false for
// Visual Fortran under Windows.
#define STRING_LEN_AT_END
// Define this if Fortran adds a trailing underscore to names in object files.
// For linux and most unix systems, this is the case.
#define FTN_TRAILING_UNDERSCORE
//-------- LAPACK / BLAS ---------
// Define if you are using LAPACK and BLAS from the Intel Math Kernel
// Library
/* #undef HAVE_INTEL_MKL */
#define LAPACK_FTN_STRING_LEN_AT_END
#define LAPACK_NAMES_LOWERCASE
#define LAPACK_FTN_TRAILING_UNDERSCORE
// The configure script defines this if the operatiing system is Mac
// OS X, This used to add some Mac-specific directories to the default
// data file search path.
#define DARWIN 1
//--------- Cantera --------------
//--------- CKReader -------------
//--------- CtLib ----------------
#endif

86
Cantera/src/oneD/StFlow.cpp
View file

@ -154,6 +154,7 @@ namespace Cantera {
m_do_energy.resize(m_points,false);
m_diff.resize(m_nsp*m_points);
m_multidiff.resize(m_nsp*m_nsp*m_points);
m_flux.resize(m_nsp,m_points);
m_wdot.resize(m_nsp,m_points, 0.0);
m_surfdot.resize(m_nsp, 0.0);
@ -225,7 +226,8 @@ namespace Cantera {
m_diff.resize(m_nsp*m_points);
}
else {
m_diff.resize(m_nsp*m_nsp*m_points);
m_multidiff.resize(m_nsp*m_nsp*m_points);
m_diff.resize(m_nsp*m_points);
}
m_flux.resize(m_nsp,m_points);
m_wdot.resize(m_nsp,m_points, 0.0);
@ -261,7 +263,8 @@ namespace Cantera {
if (m_trans->model() == cMulticomponent) {
m_transport_option = c_Multi_Transport;
m_diff.resize(m_nsp*m_nsp*m_points);
m_multidiff.resize(m_nsp*m_nsp*m_points);
m_diff.resize(m_nsp*m_points);
m_dthermal.resize(m_nsp, m_points, 0.0);
}
else if (m_trans->model() == cMixtureAveraged) {
@ -379,7 +382,7 @@ namespace Cantera {
// update thermodynamic properties only if a Jacobian is not
// being evaluated
if (jpt < 0 || (m_transport_option == c_Multi_Transport)) {
if (jpt < 0) { //if (jpt < 0 || (m_transport_option == c_Multi_Transport)) {
updateThermo(x, j0, j1);
// update transport properties only if a Jacobian is not being
@ -591,7 +594,8 @@ namespace Cantera {
* from j0 to j1, based on solution x.
*/
void AxiStagnFlow::updateTransport(doublereal* x,int j0, int j1) {
int j;
int j,k,m;
// writelog("\nentered updateTransport\n");
if (m_transport_option == c_Mixav_Transport) {
for (j = j0; j < j1; j++) {
setGasAtMidpoint(x,j);
@ -601,22 +605,39 @@ namespace Cantera {
}
}
else if (m_transport_option == c_Multi_Transport) {
for (j = j0; j < j1; j++) {
setGasAtMidpoint(x,j);
doublereal sum, sumx, wtm, dz;
doublereal eps = 1.0e-12;
for (m = j0; m < j1; m++) {
setGasAtMidpoint(x,m);
dz = m_z[m+1] - m_z[m];
//dz = m_z[j+1] - m_z[j];
wtm = m_thermo->meanMolecularWeight();
m_visc[j] = m_trans->viscosity();
m_visc[m] = m_trans->viscosity();
m_trans->getMultiDiffCoeffs(m_nsp,
m_diff.begin() + mindex(0,0,j));
//for (k = 0; k < m_nsp; k++) {
m_tcon[j] = m_trans->thermalConductivity();
m_multidiff.begin() + mindex(0,0,m));
for (k = 0; k < m_nsp; k++) {
sum = 0.0;
sumx = 0.0;
for (j = 0; j < m_nsp; j++) {
if (j != k) {
sum += m_wt[j]*m_multidiff[mindex(k,j,m)]*
((X(x,j,m+1) - X(x,j,m))/dz + eps);
sumx += (X(x,j,m+1) - X(x,j,m))/dz;
}
}
m_diff[k + m*m_nsp] = sum/(wtm*(sumx+eps));
}
m_tcon[m] = m_trans->thermalConductivity();
if (m_do_soret) {
m_trans->getThermalDiffCoeffs(m_dthermal.begin() + j*m_nsp);
m_trans->getThermalDiffCoeffs(m_dthermal.begin() + m*m_nsp);
}
}
}
//writelog("leaving updateTransport\n");
}
@ -920,6 +941,7 @@ namespace Cantera {
switch (m_transport_option) {
case c_Mixav_Transport:
case c_Multi_Transport:
for (j = j0; j < j1; j++) {
sum = 0.0;
wtm = m_wtm[j];
@ -936,26 +958,26 @@ namespace Cantera {
}
break;
case c_Multi_Transport:
for (m = j0; m < j1; m++) {
wtm = m_wtm[m];
rho = density(m);
dz = z(m+1) - z(m);
fluxsum = 0.0;
for (k = 0; k < m_nsp; k++) {
sum = 0.0;
for (j = 0; j < m_nsp; j++) {
if (j != k) {
s = m_wt[j]*m_diff[mindex(k,j,m)];
s *= (X(x,j,m+1) - X(x,j,m))/dz;
sum += s;
}
}
m_flux(k,m) = sum*rho*m_wt[k]/(wtm*wtm);
fluxsum -= m_flux(k,m);
}
}
break;
// case c_Multi_Transport:
// for (m = j0; m < j1; m++) {
// wtm = m_wtm[m];
// rho = density(m);
// dz = z(m+1) - z(m);
// fluxsum = 0.0;
// for (k = 0; k < m_nsp; k++) {
// sum = 0.0;
// for (j = 0; j < m_nsp; j++) {
// if (j != k) {
// s = m_wt[j]*m_diff[mindex(k,j,m)];
// s *= (X(x,j,m+1) - X(x,j,m))/dz;
// sum += s;
// }
// }
// m_flux(k,m) = sum*rho*m_wt[k]/(wtm*wtm);
// fluxsum -= m_flux(k,m);
// }
// }
// break;
default:
throw CanteraError("updateDiffFluxes","unknown transport model");
}

1
Cantera/src/oneD/StFlow.h
View file

@ -427,6 +427,7 @@ namespace Cantera {
vector_fp m_visc;
vector_fp m_tcon;
vector_fp m_diff;
vector_fp m_multidiff;
Array2D m_dthermal;
Array2D m_flux;