*** empty log message ***
This commit is contained in:
Dave Goodwin
parent
cfccafb938
commit
4f0c424fb7
14 changed files with 167 additions and 72 deletions
|
|
@ -124,7 +124,7 @@ extern "C" {
|
|||
int DLL_EXPORT phase_getMassFractions(int n, int leny, double* y) {
|
||||
ThermoPhase* p = ph(n);
|
||||
if (leny >= p->nSpecies()) {
|
||||
p->getMassFractions(leny, y);
|
||||
p->getMassFractions(y);
|
||||
return 0;
|
||||
}
|
||||
else
|
||||
|
|
@ -678,11 +678,13 @@ extern "C" {
|
|||
catch (CanteraError) {return -1;}
|
||||
}
|
||||
|
||||
int DLL_EXPORT kin_getRevRateConstants(int n, int len, double* krev) {
|
||||
int DLL_EXPORT kin_getRevRateConstants(int n, int doIrreversible, int len, double* krev) {
|
||||
try {
|
||||
Kinetics* k = kin(n);
|
||||
bool doirrev = false;
|
||||
if (doIrreversible != 0) doirrev = true;
|
||||
if (len >= k->nReactions()) {
|
||||
k->getRevRateConstants(krev);
|
||||
k->getRevRateConstants(krev, doirrev);
|
||||
return 0;
|
||||
}
|
||||
else
|
||||
|
|
|
|||
|
|
@ -103,7 +103,7 @@ extern "C" {
|
|||
int DLL_IMPORT kin_getEquilibriumConstants(int n, int len, double* kc);
|
||||
|
||||
int DLL_IMPORT kin_getFwdRateConstants(int n, int len, double* kfwd);
|
||||
int DLL_IMPORT kin_getRevRateConstants(int n, int len, double* krev);
|
||||
int DLL_IMPORT kin_getRevRateConstants(int n, int doIrreversible, int len, double* krev);
|
||||
int DLL_IMPORT kin_getActivationEnergies(int n, int len, double* E);
|
||||
|
||||
int DLL_IMPORT kin_getCreationRates(int n, int len, double* cdot);
|
||||
|
|
|
|||
|
|
@ -190,17 +190,22 @@ class Kinetics:
|
|||
return _cantera.kin_getarray(self.ckin,30)
|
||||
|
||||
def equilibriumConstants(self):
|
||||
"""Equilibrium constants in concentration units for all reactions."""
|
||||
return _cantera.kin_getarray(self.ckin,40)
|
||||
|
||||
def activationEnergies(self):
|
||||
"""Activation energies in Kelvin for all reactions."""
|
||||
return _cantera.kin_getarray(self.ckin,32)
|
||||
|
||||
def fwdRateConstants(self):
|
||||
return _cantera.kin_getarray(self.ckin,34)
|
||||
|
||||
def revRateConstants(self):
|
||||
return _cantera.kin_getarray(self.ckin,36)
|
||||
|
||||
def revRateConstants(self, doIrreversible = 0):
|
||||
if doIrreversible:
|
||||
return _cantera.kin_getarray(self.ckin,35)
|
||||
else:
|
||||
return _cantera.kin_getarray(self.ckin,36)
|
||||
|
||||
def creationRates(self, phase = None):
|
||||
c = _cantera.kin_getarray(self.ckin,50)
|
||||
if phase:
|
||||
|
|
|
|||
|
|
@ -1,4 +1,4 @@
|
|||
# CATCOMB -- Catalytic combustion on platinum.
|
||||
# CATCOMB -- Catalytic combustion of methane on platinum.
|
||||
#
|
||||
# This script solves a catalytic combustion problem. A stagnation flow
|
||||
# is set up, with a gas inlet 10 cm from a platinum surface at 900
|
||||
|
|
@ -82,27 +82,42 @@ surf_phase.setTemperature(tsurf)
|
|||
# coverages.
|
||||
surf_phase.advanceCoverages(1.0)
|
||||
|
||||
# create the object that simulates the stagnation flow, and specify an
|
||||
# initial grid
|
||||
sim = StagnationFlow(gas = gas, surfchem = surf_phase,
|
||||
grid = initial_grid)
|
||||
|
||||
# Objects of class StagnationFlow have members that represent the gas inlet ('inlet') and the surface ('surface'). Set some parameters of these objects.
|
||||
sim.inlet.set(mdot = mdot, T = tinlet, X = comp1)
|
||||
sim.surface.set(T = tsurf)
|
||||
|
||||
# Set error tolerances
|
||||
sim.set(tol = tol_ss, tol_time = tol_ts)
|
||||
|
||||
# Method 'init' must be called before beginning a simulation
|
||||
sim.init()
|
||||
|
||||
# Show the initial solution estimate
|
||||
sim.showSolution()
|
||||
|
||||
# start with the energy equation on
|
||||
|
||||
|
||||
# Solving problems with stiff chemistry coulpled to flow can require
|
||||
# a sequential approach where solutions are first obtained for
|
||||
# simpler problems and used as the initial guess for more difficult
|
||||
# problems.
|
||||
|
||||
# start with the energy equation on (default is 'off')
|
||||
sim.set(energy = 'on')
|
||||
|
||||
# disable the surface coverage equations, and turn off all gas and
|
||||
# surface chemistry
|
||||
# surface chemistry.
|
||||
sim.surface.setCoverageEqs('off')
|
||||
surf_phase.setMultiplier(0.0);
|
||||
gas.setMultiplier(0.0);
|
||||
|
||||
# solve the problem, refining the grid if needed
|
||||
# solve the problem, refining the grid if needed, to determine the
|
||||
# non-reacting velocity and temperature distributions
|
||||
sim.solve(loglevel, refine_grid)
|
||||
|
||||
# now turn on the surface coverage equations, and turn the
|
||||
|
|
@ -119,7 +134,7 @@ for iter in range(6):
|
|||
# problem.
|
||||
sim.showSolution()
|
||||
|
||||
#Now switch the inlet to the methane/air composition.
|
||||
# Now switch the inlet to the methane/air composition.
|
||||
sim.inlet.set(X = comp2)
|
||||
|
||||
# set more stringent grid refinement criteria
|
||||
|
|
@ -138,16 +153,19 @@ sim.save("catcomb.xml", "soln1")
|
|||
# save selected solution components in a CSV file for plotting in
|
||||
# Excel or MATLAB.
|
||||
|
||||
# These methods return arrays containing the values at all grid points
|
||||
z = sim.flow.grid()
|
||||
T = sim.T()
|
||||
u = sim.u()
|
||||
V = sim.V()
|
||||
|
||||
f = open('catcomb.csv','w')
|
||||
writeCSV(f, ['z (m)', 'u (m/s)', 'V (1/s)', 'T (K)']
|
||||
writeCSV(f, ['z (m)', 'u (m/s)', 'V (1/s)', 'T (K)', 'rho (kg/m3']
|
||||
+ list(gas.speciesNames()))
|
||||
for n in range(sim.flow.nPoints()):
|
||||
sim.setGasState(n)
|
||||
writeCSV(f, [z[n], u[n], V[n], T[n]]+list(gas.moleFractions()))
|
||||
writeCSV(f, [z[n], u[n], V[n], T[n], gas.density()]
|
||||
+list(gas.moleFractions()))
|
||||
|
||||
# write the surface coverages to the CSV file
|
||||
cov = sim.coverages()
|
||||
|
|
@ -159,4 +177,5 @@ f.close()
|
|||
|
||||
print 'solution saved to catcomb.csv'
|
||||
|
||||
# show some statistics
|
||||
sim.showStats()
|
||||
|
|
|
|||
30
Cantera/python/examples/dustygas.py
Normal file
30
Cantera/python/examples/dustygas.py
Normal file
|
|
@ -0,0 +1,30 @@
|
|||
"""
|
||||
Dusty Gas transport model.
|
||||
|
||||
The Dusty Gas model is a mulicomponent transport model for gas
|
||||
transport through the pores of a stationary porous medium. This
|
||||
example shows how to create a transport manager that implements the
|
||||
Dusty Gas model and use it to compute the multicomponent diffusion
|
||||
coefficients.
|
||||
|
||||
"""
|
||||
|
||||
from Cantera import *
|
||||
from Cantera.DustyGasTransport import *
|
||||
|
||||
# create a gas-phase object to represent the gas in the pores
|
||||
g = importPhase('h2o2.cti')
|
||||
|
||||
# set the gas state
|
||||
g.setState_TPX(500.0, OneAtm, "OH:1, H:2, O2:3")
|
||||
|
||||
# create a Dusty Gas transport manager for this phase
|
||||
d = DustyGasTransport(g)
|
||||
|
||||
# set its parameters
|
||||
d.set(porosity = 0.2, tortuosity = 4.0,
|
||||
pore_radius = 1.5e-7, diameter = 1.5e-6) # lengths in meters
|
||||
|
||||
# print the multicomponent diffusion coefficients
|
||||
print d.multiDiffCoeffs()
|
||||
|
||||
|
|
@ -73,11 +73,12 @@ T = f.T()
|
|||
u = f.u()
|
||||
V = f.V()
|
||||
fcsv = open('flame1.csv','w')
|
||||
writeCSV(fcsv, ['z (m)', 'u (m/s)', 'V (1/s)', 'T (K)']
|
||||
writeCSV(fcsv, ['z (m)', 'u (m/s)', 'V (1/s)', 'T (K)', 'rho (kg/m3)']
|
||||
+ list(gas.speciesNames()))
|
||||
for n in range(f.flame.nPoints()):
|
||||
f.setGasState(n)
|
||||
writeCSV(fcsv, [z[n], u[n], V[n], T[n]]+list(gas.moleFractions()))
|
||||
writeCSV(fcsv, [z[n], u[n], V[n], T[n], gas.density()]
|
||||
+list(gas.moleFractions()))
|
||||
fcsv.close()
|
||||
|
||||
print 'solution saved to flame1.csv'
|
||||
|
|
|
|||
|
|
@ -1,8 +1,6 @@
|
|||
#
|
||||
# FLAME1 - A burner-stabilized flat flame
|
||||
#
|
||||
# This script simulates a burner-stablized lean hydrogen-oxygen flame
|
||||
# at low pressure.
|
||||
# FLAME2 - A burner-stabilized, premixed methane/air flat flame
|
||||
# with multicomponent transport properties
|
||||
#
|
||||
from Cantera import *
|
||||
from Cantera.OneD import *
|
||||
|
|
@ -35,9 +33,10 @@ refine_grid = 1 # 1 to enable refinement, 0 to
|
|||
|
||||
################ create the gas object ########################
|
||||
#
|
||||
# This object will be used to evaluate all thermodynamic, kinetic,
|
||||
# and transport properties
|
||||
#
|
||||
# This object will be used to evaluate all thermodynamic, kinetic, and
|
||||
# transport properties. It is created with two transport managers, to
|
||||
# enable switching from mixture-averaged to multicomponent transport
|
||||
# on the last solution.
|
||||
gas = GRI30('Mix')
|
||||
gas.addTransportModel('Multi')
|
||||
|
||||
|
|
@ -71,19 +70,20 @@ 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')
|
||||
'solution with the energy equation enabled and multicomponent transport')
|
||||
|
||||
# write the velocity, temperature, and mole fractions to a CSV file
|
||||
# write the velocity, temperature, density, and mole fractions to a CSV file
|
||||
z = f.flame.grid()
|
||||
T = f.T()
|
||||
u = f.u()
|
||||
V = f.V()
|
||||
fcsv = open('flame2.csv','w')
|
||||
writeCSV(fcsv, ['z (m)', 'u (m/s)', 'V (1/s)', 'T (K)']
|
||||
writeCSV(fcsv, ['z (m)', 'u (m/s)', 'V (1/s)', 'T (K)', 'rho (kg/m3)']
|
||||
+ list(gas.speciesNames()))
|
||||
for n in range(f.flame.nPoints()):
|
||||
f.setGasState(n)
|
||||
writeCSV(fcsv, [z[n], u[n], V[n], T[n]]+list(gas.moleFractions()))
|
||||
writeCSV(fcsv, [z[n], u[n], V[n], T[n], gas.density()]
|
||||
+list(gas.moleFractions()))
|
||||
fcsv.close()
|
||||
|
||||
print 'solution saved to flame2.csv'
|
||||
|
|
|
|||
|
|
@ -157,8 +157,10 @@ kin_getarray(PyObject *self, PyObject *args)
|
|||
case 34:
|
||||
iok = kin_getFwdRateConstants(kin, nrxns, xd);
|
||||
break;
|
||||
case 35:
|
||||
iok = kin_getRevRateConstants(kin, 1, nrxns, xd);
|
||||
case 36:
|
||||
iok = kin_getRevRateConstants(kin, nrxns, xd);
|
||||
iok = kin_getRevRateConstants(kin, 0, nrxns, xd);
|
||||
break;
|
||||
case 40:
|
||||
iok = kin_getEquilibriumConstants(kin, nrxns, xd);
|
||||
|
|
|
|||
|
|
@ -238,6 +238,10 @@ static PyMethodDef ct_methods[] = {
|
|||
{"func_del", py_func_del, METH_VARARGS},
|
||||
{"func_value", py_func_value, METH_VARARGS},
|
||||
|
||||
#ifdef INCL_USER_PYTHON
|
||||
#include "usermethods.h"
|
||||
#endif
|
||||
|
||||
{NULL, NULL} /* sentinel */
|
||||
};
|
||||
|
||||
|
|
|
|||
|
|
@ -17,7 +17,6 @@
|
|||
|
||||
#include "ct.h"
|
||||
#include "ctxml.h"
|
||||
//#include "ctstagn.h"
|
||||
#include "ctsurf.h"
|
||||
#include "ctbdry.h"
|
||||
#include "ctrpath.h"
|
||||
|
|
@ -39,7 +38,6 @@ static PyObject *ErrorObject;
|
|||
#include "ctkinetics_methods.cpp"
|
||||
#include "cttransport_methods.cpp"
|
||||
#include "ctxml_methods.cpp"
|
||||
//#include "ctflow_methods.cpp"
|
||||
#include "ctfuncs.cpp"
|
||||
#include "ctsurf_methods.cpp"
|
||||
#include "ctbndry_methods.cpp"
|
||||
|
|
@ -48,6 +46,12 @@ static PyObject *ErrorObject;
|
|||
#include "ctfunc_methods.cpp"
|
||||
#include "ctonedim_methods.cpp"
|
||||
|
||||
#ifdef INCL_USER_PYTHON
|
||||
#include "ctuser.h"
|
||||
#include "ctuser_methods.cpp"
|
||||
#endif
|
||||
|
||||
|
||||
#include "methods.h"
|
||||
|
||||
extern "C" {
|
||||
|
|
|
|||
|
|
@ -313,12 +313,22 @@ namespace Cantera {
|
|||
* Update the rates of progress of the reactions in the reaciton
|
||||
* mechanism. This routine operates on internal data.
|
||||
*/
|
||||
void InterfaceKinetics::getRevRateConstants(doublereal* krev) {
|
||||
void InterfaceKinetics::getRevRateConstants(doublereal* krev, bool doIrreversible) {
|
||||
getFwdRateConstants(krev);
|
||||
const vector_fp& rkc = m_kdata->m_rkcn;
|
||||
multiply_each(krev, krev + nReactions(), rkc.begin());
|
||||
if (doIrreversible) {
|
||||
doublereal *tmpKc = m_kdata->m_ropnet.begin();
|
||||
getEquilibriumConstants(tmpKc);
|
||||
for (int i = 0; i < m_ii; i++) {
|
||||
krev[i] /= tmpKc[i];
|
||||
}
|
||||
}
|
||||
else {
|
||||
const vector_fp& rkc = m_kdata->m_rkcn;
|
||||
multiply_each(krev, krev + nReactions(), rkc.begin());
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
void InterfaceKinetics::getActivationEnergies(doublereal *E) {
|
||||
copy(m_E.begin(), m_E.end(), E);
|
||||
}
|
||||
|
|
|
|||
|
|
@ -23,7 +23,6 @@
|
|||
#include "utilities.h"
|
||||
#include "RateCoeffMgr.h"
|
||||
#include "ReactionStoichMgr.h"
|
||||
//#include "StoichManager.h"
|
||||
|
||||
namespace Cantera {
|
||||
|
||||
|
|
@ -35,8 +34,9 @@ namespace Cantera {
|
|||
class SurfPhase;
|
||||
class ImplicitSurfChem;
|
||||
|
||||
|
||||
/**
|
||||
* Holds mechanism-specific data.
|
||||
* Holds mechanism-specific data.
|
||||
*/
|
||||
class InterfaceKineticsData {
|
||||
public:
|
||||
|
|
@ -57,6 +57,10 @@ namespace Cantera {
|
|||
};
|
||||
|
||||
|
||||
///
|
||||
/// A kinetics manager for heterogeneous reaction mechanisms. The reactions are
|
||||
/// assumed to occur at a 2D interface between two 3D phases.
|
||||
///
|
||||
class InterfaceKinetics : public Kinetics {
|
||||
|
||||
public:
|
||||
|
|
@ -73,6 +77,7 @@ namespace Cantera {
|
|||
*/
|
||||
InterfaceKinetics(thermo_t* thermo = 0);
|
||||
|
||||
|
||||
/// Destructor.
|
||||
virtual ~InterfaceKinetics();
|
||||
|
||||
|
|
@ -83,13 +88,14 @@ namespace Cantera {
|
|||
virtual int ID() { return cInterfaceKinetics; }
|
||||
|
||||
/**
|
||||
* Identifies the subclass of the Kinetics manager type.
|
||||
* Identifies the subclass of the kinetics manager type.
|
||||
* These are listed in mix_defs.h.
|
||||
*/
|
||||
virtual int type() { return cInterfaceKinetics; }
|
||||
|
||||
/**
|
||||
* Set the electric potential in the nth phase
|
||||
* Set the electric potential in the nth phase.
|
||||
* @deprecated
|
||||
*
|
||||
* @param n phase Index in this kinetics object.
|
||||
* @param V Electric potential (volts)
|
||||
|
|
@ -100,11 +106,14 @@ namespace Cantera {
|
|||
}
|
||||
|
||||
//@}
|
||||
/**
|
||||
* @name Reaction Rates Of Progress
|
||||
*/
|
||||
|
||||
|
||||
///
|
||||
/// @name Reaction Rates Of Progress
|
||||
///
|
||||
//@{
|
||||
|
||||
|
||||
/**
|
||||
* Forward rates of progress.
|
||||
* Return the forward rates of progress in array fwdROP, which
|
||||
|
|
@ -117,6 +126,7 @@ namespace Cantera {
|
|||
copy(m_kdata->m_ropf.begin(), m_kdata->m_ropf.end(), fwdROP);
|
||||
}
|
||||
|
||||
|
||||
/**
|
||||
* Reverse rates of progress.
|
||||
* Return the reverse rates of progress in array revROP, which
|
||||
|
|
@ -266,7 +276,7 @@ namespace Cantera {
|
|||
|
||||
|
||||
virtual void getFwdRateConstants(doublereal* kfwd);
|
||||
virtual void getRevRateConstants(doublereal* krev);
|
||||
virtual void getRevRateConstants(doublereal* krev, bool doIrreversible = false);
|
||||
virtual void getActivationEnergies(doublereal *E);
|
||||
|
||||
//@}
|
||||
|
|
|
|||
|
|
@ -6,7 +6,7 @@
|
|||
* $Date$
|
||||
*/
|
||||
|
||||
// Copyright 2001 California Institute of Technology
|
||||
// Copyright 2001-2004 California Institute of Technology
|
||||
|
||||
/**
|
||||
* @defgroup kineticsGroup Kinetics
|
||||
|
|
@ -21,14 +21,16 @@
|
|||
|
||||
namespace Cantera {
|
||||
|
||||
// forward references
|
||||
class ReactionData;
|
||||
|
||||
/**
|
||||
* Public interface for kinetics managers. This class serves as a
|
||||
* base class to derive 'kinetics managers', which are classes
|
||||
* that manage homogeneous chemistry within one phase, or
|
||||
* heterogeneous chemistry at one interface.
|
||||
*/
|
||||
|
||||
///
|
||||
/// Public interface for kinetics managers. This class serves as a
|
||||
/// base class to derive 'kinetics managers', which are classes
|
||||
/// that manage homogeneous chemistry within one phase, or
|
||||
/// heterogeneous chemistry at one interface.
|
||||
///
|
||||
class Kinetics {
|
||||
|
||||
public:
|
||||
|
|
@ -46,26 +48,22 @@ namespace Cantera {
|
|||
|
||||
/**
|
||||
* This Constructor initializes with a starting phase.
|
||||
* All of the appropriate entries that addPhase() (below)
|
||||
* sets up are also done here.
|
||||
*/
|
||||
Kinetics(thermo_t* thermo)
|
||||
: m_ii(0), m_index(-1), m_surfphase(-1) {
|
||||
if (thermo) {
|
||||
addPhase(*thermo);
|
||||
// m_start.push_back(0);
|
||||
// if (thermo->eosType() == cSurf) m_surfphase = nPhases();
|
||||
// m_thermo.push_back(thermo);
|
||||
// m_phaseindex[m_thermo.back()->id()] = nPhases();
|
||||
}
|
||||
}
|
||||
|
||||
/// Destructor. Does nothing.
|
||||
virtual ~Kinetics() {}
|
||||
|
||||
/// For internal use.
|
||||
int index(){ return m_index; }
|
||||
void setIndex(int index) { m_index = index; }
|
||||
|
||||
|
||||
/**
|
||||
* Identifies the subclass of the Kinetics manager type.
|
||||
* These are listed in mix_defs.h.
|
||||
|
|
@ -78,13 +76,14 @@ namespace Cantera {
|
|||
|
||||
//@}
|
||||
|
||||
|
||||
/**
|
||||
* @name Information/Lookup Functions about Phases and Species
|
||||
*/
|
||||
//@{
|
||||
|
||||
/**
|
||||
* Return the number of phases defined within the kinetics
|
||||
* The number of phases defined within the kinetics
|
||||
* object.
|
||||
*/
|
||||
int nPhases() const { return m_thermo.size(); }
|
||||
|
|
@ -101,6 +100,7 @@ namespace Cantera {
|
|||
* the Kinetics object.
|
||||
* (HKM -> unfound object will create another entry in the
|
||||
* map, suggest rewriting this function)
|
||||
* @todo rewrite.
|
||||
*/
|
||||
int phaseIndex(string ph) { return m_phaseindex[ph] - 1; }
|
||||
|
||||
|
|
@ -133,10 +133,10 @@ namespace Cantera {
|
|||
const thermo_t& phase(int n=0) const { return *m_thermo[n]; }
|
||||
|
||||
/**
|
||||
* Returns the total number of species in all phases
|
||||
* participating in the kinetics mechanism. This is useful to
|
||||
* dimension arrays for use in calls to methods that return
|
||||
* the species production rates, for example.
|
||||
* The total number of species in all phases participating in
|
||||
* the kinetics mechanism. This is useful to dimension arrays
|
||||
* for use in calls to methods that return the species
|
||||
* production rates, for example.
|
||||
*/
|
||||
int nTotalSpecies() const {
|
||||
int n=0, np;
|
||||
|
|
@ -155,9 +155,25 @@ namespace Cantera {
|
|||
*/
|
||||
int start(int n) { return m_start[n]; }
|
||||
|
||||
|
||||
/**
|
||||
* This method returns the index of a species in the source
|
||||
* term vector for this kinetics object.
|
||||
* The location of species k of phase n in species arrays.
|
||||
* Kinetics manager classes return species production rates in
|
||||
* flat arrays, with the species of each phases following one
|
||||
* another, in the order the phases were added. This method
|
||||
* is useful to find the value for a particular species of a
|
||||
* particular phase in arrrays returned from methods like
|
||||
* getCreationRates that return an array of species-specific
|
||||
* quantities.
|
||||
*
|
||||
* Example: suppose a heterogeneous mechanism involves three
|
||||
* phases. The first contains 12 species, the second 26, and
|
||||
* the third 3. Then species arrays must have size at least
|
||||
* 41, and positions 0 - 11 are the values for the species in
|
||||
* the first phase, positions 12 - 37 are the values for the
|
||||
* species in the second phase, etc. Then
|
||||
* kineticsSpeciesIndex(7, 0) = 7, kineticsSpeciesIndex(4, 1)
|
||||
* = 16, and kineticsSpeciesIndex(2, 2) = 40.
|
||||
*
|
||||
* @param k species index
|
||||
* @param n phase index for the species
|
||||
|
|
@ -244,16 +260,7 @@ namespace Cantera {
|
|||
* manager) and returns the species' owning ThermoPhase object.
|
||||
*/
|
||||
thermo_t& speciesPhase(int k) {
|
||||
return thermo(speciesPhaseIndex(k));
|
||||
// int np = m_start.size();
|
||||
// for (int n = np-1; n >= 0; n--) {
|
||||
// if (k >= m_start[n]) {
|
||||
// return thermo(n);
|
||||
// }
|
||||
// }
|
||||
// throw CanteraError("speciesPhase",
|
||||
// "illegal species index: "+int2str(k));
|
||||
|
||||
return thermo(speciesPhaseIndex(k));
|
||||
}
|
||||
|
||||
/**
|
||||
|
|
|
|||
|
|
@ -249,7 +249,8 @@ surface_reaction( "H(S) + OH(S) <=> H2O(S) + PT(S)", [3.70000E+21, 0, 17400])
|
|||
surface_reaction( "OH(S) + OH(S) <=> H2O(S) + O(S)", [3.70000E+21, 0, 48200])
|
||||
|
||||
# Reaction 15
|
||||
surface_reaction( "CO + PT(S) => CO(S)", [1.61800E+20, 0.5, 0], order = "PT(S):2")
|
||||
surface_reaction( "CO + PT(S) => CO(S)", [1.61800E+20, 0.5, 0],
|
||||
order = "PT(S):2")
|
||||
|
||||
# Reaction 16
|
||||
surface_reaction( "CO(S) => CO + PT(S)", [1.00000E+13, 0, 125500])
|
||||
|
|
|
|||
Loading…
Add table
Reference in a new issue