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This commit is contained in:
Dave Goodwin
2003-09-18 21:16:42 +00:00
parent 3199266fce
commit 1665ea3217
20 changed files with 1398 additions and 1140 deletions
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10
Cantera/clib/src/ctonedim.cpp
View File

@@ -308,6 +308,16 @@ extern "C" {
catch (CanteraError) { return -1; }
}
int DLL_EXPORT inlet_setSpreadRate(int i, double v) {
try {
Inlet1D* inlt = (Inlet1D*)_bdry(i);
inlt->setSpreadRate(v);
return 0;
}
catch (CanteraError) { return -1; }
}
//------------------ stagnation flow domains --------------------
int DLL_EXPORT stflow_new(int iph, int ikin, int itr) {

2
Cantera/clib/src/ctonedim.h
View File

@@ -42,6 +42,8 @@ extern "C" {
int DLL_IMPORT surf_new();
int DLL_IMPORT reactingsurf_new();
int DLL_IMPORT inlet_setSpreadRate(int i, double v);
int DLL_IMPORT stflow_new(int iph, int ikin, int itr);
int DLL_IMPORT stflow_setPressure(int i, double p);
int DLL_IMPORT stflow_setFixedTempProfile(int i, int n, double* pos,

4
Cantera/matlab/Makefile.in
View File

@@ -24,9 +24,13 @@ SRCS = cantera/private/ctmethods.cpp \
cantera/private/surfmethods.cpp
CANTERA_LIBDIR=@buildlib@
ifeq ($(os_is_win),0)
LIB_DEPS = $(CANTERA_LIBDIR)/libcantera.a $(CANTERA_LIBDIR)/libzeroD.a \
$(CANTERA_LIBDIR)/liboneD.a $(CANTERA_LIBDIR)/libconverters.a \
$(CANTERA_LIBDIR)/libtransport.a
else
LIB_DEPS =
endif
os_is_win=@OS_IS_WIN@

5
Cantera/python/Cantera/OneD/onedim.py
View File

@@ -237,7 +237,10 @@ class Inlet(Bdry1D):
self._hndl = _cantera.inlet_new()
if id: self.setID(id)
def setSpreadRate(self, V0 = 0.0):
_cantera.inlet_setSpreadRate(self._hndl, V0)
class Outlet(Bdry1D):
def __init__(self, id = 'outlet'):
Bdry1D.__init__(self)

2
Cantera/python/setup.py.in
View File

@@ -12,7 +12,7 @@ platform = sys.platform
if platform == "win32":
libs = ["cantera14"]
else:
libs = ["ct14", "zeroD","oneD","converters", "transport",
libs = ["clib", "zeroD","oneD","converters", "transport",
"cantera","recipes","ctlapack",
"ctblas", "ctmath", "cvode", "stdc++", "g2c", "m"]

15
Cantera/python/src/ctonedim_methods.cpp
View File

@@ -261,6 +261,21 @@ py_domain_setDesc(PyObject *self, PyObject *args)
}
static PyObject *
py_inlet_setSpreadRate(PyObject *self, PyObject *args)
{
int _val;
int i;
double v;
if (!PyArg_ParseTuple(args, "id:inlet_setSpreadRate", &i, &v))
return NULL;
_val = inlet_setSpreadRate(i,v);
if (int(_val) == -1) return reportCanteraError();
return Py_BuildValue("i",_val);
}
static PyObject *
py_domain_grid(PyObject *self, PyObject *args)
{

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

@@ -149,6 +149,7 @@ static PyMethodDef ct_methods[] = {
{"bdry_temperature", py_bdry_temperature, METH_VARARGS},
{"bdry_massFraction", py_bdry_massFraction, METH_VARARGS},
{"bdry_mdot", py_bdry_mdot, METH_VARARGS},
{"inlet_setSpreadRate", py_inlet_setSpreadRate, METH_VARARGS},
{"reactingsurf_setkineticsmgr", py_reactingsurf_setkineticsmgr, METH_VARARGS},
{"reactingsurf_enableCoverageEqs", py_reactingsurf_enableCoverageEqs, METH_VARARGS},
{"inlet_new", py_inlet_new, METH_VARARGS},

4
Cantera/src/ChemEquil.cpp
View File

@@ -477,8 +477,8 @@ namespace Cantera {
for (int ii = 0; ii < m_mm; ii++) x[ii] = -100.0;
//try {
estimateElementPotentials(s, x);
//}
//catch (CanteraError) { ; }
// }
//catch (CanteraError) { writelog("estimateElementPotentials failed, but continuing anyway,...\n"); }
x[m_mm] = log(m_phase->temperature());

2
Cantera/src/ImplicitSurfChem.h
View File

@@ -63,7 +63,7 @@ namespace Cantera {
* first.
*/
void integrate(doublereal t0, doublereal t1) {
m_integ->reinitialize(t0, *this);
m_integ->initialize(t0, *this);
m_integ->setMaxStep(t1 - t0);
m_integ->integrate(t1);
updateState(m_integ->solution());

6
Cantera/src/Makefile.in
View File

@@ -99,11 +99,13 @@ DEPENDS = $(EVERYTHING:.o=.d)
@CXX@ -c $< $(CXX_FLAGS)
#$(CXX_INCLUDES)
misc.o: misc.cpp ../../Makefile
# these depend on Makefile to insure that they get rebuilt whenever
# 'configure' has been run since they were last compiled
misc.o: misc.cpp Makefile
echo '#define CANTERA_ROOT "@prefix@/cantera"' > ctdir.h
@CXX@ -c misc.cpp $(CXX_FLAGS)
ct2ctml.o: ct2ctml.cpp ../../Makefile
ct2ctml.o: ct2ctml.cpp Makefile
echo '#define PYTHON_EXE "@PYTHON_CMD@"' > pypath.h
@CXX@ -c ct2ctml.cpp $(CXX_FLAGS)

1
Cantera/src/oneD/Domain1D.h
View File

@@ -27,6 +27,7 @@ namespace Cantera {
const int cInletType = 104;
const int cSymmType = 105;
const int cOutletType = 106;
const int cEmptyType = 107;
class MultiJac;
class OneDim;

30
Cantera/src/oneD/Inlet1D.h
View File

@@ -192,6 +192,36 @@ namespace Cantera {
};
/**
* A terminator that does nothing.
*/
class Empty1D : public Domain1D {
public:
Empty1D() : Domain1D() {
m_type = cEmptyType;
}
virtual ~Empty1D(){}
virtual string componentName(int n) const;
virtual void init();
virtual void eval(int jg, doublereal* xg, doublereal* rg,
integer* diagg, doublereal rdt);
virtual void save(XML_Node& o, doublereal* soln);
virtual void restore(XML_Node& dom, doublereal* soln);
virtual void _finalize(const doublereal* x) {}
virtual void _getInitialSoln(doublereal* x) {
x[0] = 0.0;
}
protected:
};
/**
* A symmetry plane. The axial velocity u = 0, and all other
* components have zero axial gradients.

4
Cantera/src/oneD/MultiJac.cpp
View File

@@ -93,6 +93,10 @@ namespace Cantera {
for (m = 0; m < mv; m++) {
value(m+iloc,ipt) = (m_r1[m+iloc]
- resid0[m+iloc])*rdx;
//if (m == 15) {
// cout << "perturbed " << n << " " << value(m+iloc,ipt) << " " << m_r1[m+iloc]
// << " " << resid0[m+iloc] << " " << rdx << endl;
//}
}
}
}

20
Cantera/src/oneD/MultiNewton.cpp
View File

@@ -117,9 +117,19 @@ namespace Cantera {
int n, iok;
int sz = r.size();
r.eval(-1, x, step);
#undef DEBUG_STEP
#ifdef DEBUG_STEP
vector_fp ssave(sz, 0.0);
for (n = 0; n < sz; n++) {
step[n] = -step[n];
ssave[n] = step[n];
}
#else
for (n = 0; n < sz; n++) {
step[n] = -step[n];
}
#endif
try {
iok = jac.solve(sz, step, step);
if (iok > 0) {
@@ -144,7 +154,7 @@ namespace Cantera {
catch (CanteraError) {
showErrors(cout);
}
#undef DEBUG_STEP
#ifdef DEBUG_STEP
bool ok = false;
Domain1D* d;
@@ -153,16 +163,12 @@ namespace Cantera {
d = r.pointDomain(n);
int nvd = d->nComponents();
int pt = (n - d->loc())/nvd;
cout << pt << " " <<
cout << "step: " << pt << " " <<
r.pointDomain(n)->componentName(n - d->loc() - nvd*pt)
<< " " << x[n] << " " << step[n] << endl;
<< " " << x[n] << " " << ssave[n] << " " << step[n] << endl;
}
//if (!ok) throw "not ok";
}
#endif
//throw CanteraError("step","step error");
// }
}

6
Cantera/src/oneD/Sim1D.h
View File

@@ -72,6 +72,8 @@ namespace Cantera {
void showSolution(ostream& s);
void showSolution();
const doublereal* solution() { return m_x.begin(); }
void setTimeStep(doublereal stepsize, int n, integer* tsteps);
//void setMaxTimeStep(doublereal tmax) { m_maxtimestep = tmax; }
@@ -92,6 +94,10 @@ namespace Cantera {
void restore(string fname, string id);
void getInitialSoln();
void setSolution(const doublereal* soln) {
copy(soln, soln + m_x.size(), m_x.begin());
}
protected:
vector_fp m_x; // the solution vector

57
Cantera/src/oneD/boundaries1D.cpp
View File

@@ -239,6 +239,63 @@ namespace Cantera {
}
//--------------------------------------------------
// Empty1D
//--------------------------------------------------
string Empty1D::componentName(int n) const {
switch (n) {
case 0: return "dummy"; break;
default: return "<unknown>";
}
}
void Empty1D::
init() { //_init(1);
// set bounds (T)
const doublereal lower = -1.0;
const doublereal upper = 1.0;
setBounds(1, &lower, 1, &upper);
// set tolerances
const doublereal rtol = 1e-4;
const doublereal atol = 1.e-4;
setTolerances(1, &rtol, 1, &atol);
}
void Empty1D::
eval(int jg, doublereal* xg, doublereal* rg,
integer* diagg, doublereal rdt) {
if (jg >= 0 && (jg < firstPoint() - 2 || jg > lastPoint() + 2)) return;
// start of local part of global arrays
doublereal* x = xg + loc();
doublereal* r = rg + loc();
integer* diag = diagg + loc();
integer *db;
r[0] = x[0];
diag[0] = 0;
}
void Empty1D::
save(XML_Node& o, doublereal* soln) {
XML_Node& symm = o.addChild("domain");
symm.addAttribute("id",id());
symm.addAttribute("points",1);
symm.addAttribute("type","empty");
symm.addAttribute("components",nComponents());
}
void Empty1D::
restore(XML_Node& dom, doublereal* soln) {
resize(1,1);
}
//--------------------------------------------------
// Symm1D
//--------------------------------------------------

2
configure vendored
View File

@@ -210,7 +210,7 @@ F90_EXT=${F90_EXT:=f90}
#EXE_EXT=
CT_SHARED_LIB=${CT_SHARED_LIB:=ct14}
CT_SHARED_LIB=${CT_SHARED_LIB:=clib}
#-----------------------------------------------------------------------

2
data/inputs/air.cti
View File

@@ -13,7 +13,7 @@ ideal_gas(name = "air",
reactions = "all",
transport = "Mix",
initial_state = state(temperature = 300.0,
pressure = OneAtm) )
pressure = OneAtm, mole_fractions = 'O2:0.21, N2:0.78, AR:0.01') )

2218
test_problems/cxx_ex/gri30.xml
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File diff suppressed because it is too large Load Diff

147
test_problems/cxx_ex/silane.xml
View File

@@ -1,23 +1,29 @@
<ctml>
<validate reactions="yes" species="yes"/>
<!-- phase silane -->
<!-- phase silane -->
<phase dim="3" id="silane">
<elementArray datasrc="elements.xml"> Si H He </elementArray>
<speciesArray datasrc="#species_data">
H2 H HE SIH4 SI SIH SIH2 SIH3 H3SISIH SI2H6
H2SISIH2 SI3H8 SI2 SI3 </speciesArray>
<reactionArray datasrc="#reaction_data"/>
<state>
<temperature units="K">300.0</temperature>
<pressure units="Pa">101325.0</pressure>
</state>
<thermo model="IdealGas"/>
<kinetics model="GasKinetics"/>
<transport model="None"/>
</phase>
<!-- species definitions -->
<!-- species definitions -->
<speciesData id="species_data">
<!-- species H2 -->
<!-- species H2 -->
<species name="H2">
<atomArray>H:2 </atomArray>
<note>TPIS78</note>
<thermo>
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
<floatArray name="coeffs" size="7">
@@ -32,9 +38,10 @@
</thermo>
</species>
<!-- species H -->
<!-- species H -->
<species name="H">
<atomArray>H:1 </atomArray>
<note>L 7/88</note>
<thermo>
<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
<floatArray name="coeffs" size="7">
@@ -49,9 +56,10 @@
</thermo>
</species>
<!-- species HE -->
<!-- species HE -->
<species name="HE">
<atomArray>He:1 </atomArray>
<note>120186</note>
<thermo>
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray name="coeffs" size="7">
@@ -66,9 +74,10 @@
</thermo>
</species>
<!-- species SIH4 -->
<!-- species SIH4 -->
<species name="SIH4">
<atomArray>H:4 Si:1 </atomArray>
<note>90784</note>
<thermo>
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray name="coeffs" size="7">
@@ -83,9 +92,10 @@
</thermo>
</species>
<!-- species SI -->
<!-- species SI -->
<species name="SI">
<atomArray>Si:1 </atomArray>
<note>J 3/67</note>
<thermo>
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray name="coeffs" size="7">
@@ -100,9 +110,10 @@
</thermo>
</species>
<!-- species SIH -->
<!-- species SIH -->
<species name="SIH">
<atomArray>H:1 Si:1 </atomArray>
<note>121986</note>
<thermo>
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray name="coeffs" size="7">
@@ -117,9 +128,10 @@
</thermo>
</species>
<!-- species SIH2 -->
<!-- species SIH2 -->
<species name="SIH2">
<atomArray>H:2 Si:1 </atomArray>
<note>42489</note>
<thermo>
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray name="coeffs" size="7">
@@ -134,9 +146,10 @@
</thermo>
</species>
<!-- species SIH3 -->
<!-- species SIH3 -->
<species name="SIH3">
<atomArray>H:3 Si:1 </atomArray>
<note>42489</note>
<thermo>
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray name="coeffs" size="7">
@@ -151,9 +164,10 @@
</thermo>
</species>
<!-- species H3SISIH -->
<!-- species H3SISIH -->
<species name="H3SISIH">
<atomArray>H:4 Si:2 </atomArray>
<note>111191</note>
<thermo>
<NASA P0="100000.0" Tmax="1500.0" Tmin="300.0">
<floatArray name="coeffs" size="7">
@@ -168,9 +182,10 @@
</thermo>
</species>
<!-- species SI2H6 -->
<!-- species SI2H6 -->
<species name="SI2H6">
<atomArray>H:6 Si:2 </atomArray>
<note>90784</note>
<thermo>
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray name="coeffs" size="7">
@@ -185,9 +200,10 @@
</thermo>
</species>
<!-- species H2SISIH2 -->
<!-- species H2SISIH2 -->
<species name="H2SISIH2">
<atomArray>H:4 Si:2 </atomArray>
<note>42489</note>
<thermo>
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray name="coeffs" size="7">
@@ -202,9 +218,10 @@
</thermo>
</species>
<!-- species SI3H8 -->
<!-- species SI3H8 -->
<species name="SI3H8">
<atomArray>H:8 Si:3 </atomArray>
<note>90784</note>
<thermo>
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray name="coeffs" size="7">
@@ -219,9 +236,10 @@
</thermo>
</species>
<!-- species SI2 -->
<!-- species SI2 -->
<species name="SI2">
<atomArray>Si:2 </atomArray>
<note>90784</note>
<thermo>
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray name="coeffs" size="7">
@@ -236,9 +254,10 @@
</thermo>
</species>
<!-- species SI3 -->
<!-- species SI3 -->
<species name="SI3">
<atomArray>Si:3 </atomArray>
<note>J 3/67</note>
<thermo>
<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray name="coeffs" size="7">
@@ -255,12 +274,12 @@
</speciesData>
<reactionData id="reaction_data">
<!-- reaction reaction_0001 -->
<reaction id="reaction_0001" reversible="yes">
<!-- reaction 0001 -->
<reaction id="0001" reversible="yes">
<equation>SIH4 + H [=] SIH3 + H2</equation>
<rateCoeff>
<Arrhenius>
<A units="cm3/mol/s"> 7.800000E+14</A>
<A> 7.800000E+11</A>
<b>0</b>
<E units="cal/mol">2260.000000</E>
</Arrhenius>
@@ -269,12 +288,12 @@
<products>H2:1 SIH3:1</products>
</reaction>
<!-- reaction reaction_0002 -->
<reaction id="reaction_0002" reversible="yes" type="threeBody">
<!-- reaction 0002 -->
<reaction id="0002" reversible="yes" type="threeBody">
<equation>SIH4 + M [=] SIH3 + H + M</equation>
<rateCoeff>
<Arrhenius>
<A units="cm3/mol/s"> 3.910000E+15</A>
<A> 3.910000E+12</A>
<b>0</b>
<E units="cal/mol">89356.000000</E>
</Arrhenius>
@@ -283,12 +302,12 @@
<products>H:1 SIH3:1</products>
</reaction>
<!-- reaction reaction_0003 -->
<reaction id="reaction_0003" reversible="yes">
<!-- reaction 0003 -->
<reaction id="0003" reversible="yes">
<equation>SIH3 + H [=] SIH2 + H2</equation>
<rateCoeff>
<Arrhenius>
<A units="cm3/mol/s"> 7.800000E+14</A>
<A> 7.800000E+11</A>
<b>0</b>
<E units="cal/mol">2260.000000</E>
</Arrhenius>
@@ -297,12 +316,12 @@
<products>H2:1 SIH2:1</products>
</reaction>
<!-- reaction reaction_0004 -->
<reaction id="reaction_0004" reversible="yes" type="threeBody">
<!-- reaction 0004 -->
<reaction id="0004" reversible="yes" type="threeBody">
<equation>SI + SI + M [=] SI2 + M</equation>
<rateCoeff>
<Arrhenius>
<A units="cm6/mol2/s"> 2.470000E+16</A>
<A> 2.470000E+10</A>
<b>0</b>
<E units="cal/mol">1178.000000</E>
</Arrhenius>
@@ -311,12 +330,12 @@
<products>SI2:1</products>
</reaction>
<!-- reaction reaction_0005 -->
<reaction id="reaction_0005" reversible="yes">
<!-- reaction 0005 -->
<reaction id="0005" reversible="yes">
<equation>SIH4 + SIH2 [=] H3SISIH + H2</equation>
<rateCoeff>
<Arrhenius>
<A units="cm3/mol/s"> 1.300000E+13</A>
<A> 1.300000E+10</A>
<b>0</b>
<E units="cal/mol">0.000000</E>
</Arrhenius>
@@ -325,12 +344,12 @@
<products>H2:1 H3SISIH:1</products>
</reaction>
<!-- reaction reaction_0006 -->
<reaction id="reaction_0006" reversible="yes">
<!-- reaction 0006 -->
<reaction id="0006" reversible="yes">
<equation>SIH + H2 [=] SIH2 + H</equation>
<rateCoeff>
<Arrhenius>
<A units="cm3/mol/s"> 4.800000E+14</A>
<A> 4.800000E+11</A>
<b>0</b>
<E units="cal/mol">23.640000</E>
</Arrhenius>
@@ -339,12 +358,12 @@
<products>H:1 SIH2:1</products>
</reaction>
<!-- reaction reaction_0007 -->
<reaction id="reaction_0007" reversible="yes">
<!-- reaction 0007 -->
<reaction id="0007" reversible="yes">
<equation>SIH + SIH4 [=] H3SISIH + H</equation>
<rateCoeff>
<Arrhenius>
<A units="cm3/mol/s"> 1.600000E+14</A>
<A> 1.600000E+11</A>
<b>0</b>
<E units="cal/mol">0.000000</E>
</Arrhenius>
@@ -353,12 +372,12 @@
<products>H:1 H3SISIH:1</products>
</reaction>
<!-- reaction reaction_0008 -->
<reaction id="reaction_0008" reversible="yes">
<!-- reaction 0008 -->
<reaction id="0008" reversible="yes">
<equation>SI + H2 [=] SIH + H</equation>
<rateCoeff>
<Arrhenius>
<A units="cm3/mol/s"> 1.500000E+15</A>
<A> 1.500000E+12</A>
<b>0</b>
<E units="cal/mol">31.800000</E>
</Arrhenius>
@@ -367,17 +386,17 @@
<products>H:1 SIH:1</products>
</reaction>
<!-- reaction reaction_0009 -->
<reaction id="reaction_0009" reversible="yes" type="falloff">
<!-- reaction 0009 -->
<reaction id="0009" reversible="yes" type="falloff">
<equation>SIH4 (+ M) [=] SIH2 + H2 (+ M)</equation>
<rateCoeff>
<Arrhenius>
<A units="/s"> 3.119000E+09</A>
<A> 3.119000E+09</A>
<b>1.669</b>
<E units="cal/mol">54710.000000</E>
</Arrhenius>
<Arrhenius name="k0">
<A units="cm3/mol/s"> 5.214000E+29</A>
<A> 5.214000E+26</A>
<b>-3.5449999999999999</b>
<E units="cal/mol">57550.000000</E>
</Arrhenius>
@@ -388,17 +407,17 @@
<products>H2:1 SIH2:1</products>
</reaction>
<!-- reaction reaction_0010 -->
<reaction id="reaction_0010" reversible="yes" type="falloff">
<!-- reaction 0010 -->
<reaction id="0010" reversible="yes" type="falloff">
<equation>H3SISIH (+ M) [=] H2SISIH2 (+ M)</equation>
<rateCoeff>
<Arrhenius>
<A units="/s"> 2.540000E+13</A>
<A> 2.540000E+13</A>
<b>-0.22389999999999999</b>
<E units="cal/mol">5381.000000</E>
</Arrhenius>
<Arrhenius name="k0">
<A units="cm3/mol/s"> 1.099000E+33</A>
<A> 1.099000E+30</A>
<b>-5.7649999999999997</b>
<E units="cal/mol">9152.000000</E>
</Arrhenius>
@@ -409,17 +428,17 @@
<products>H2SISIH2:1</products>
</reaction>
<!-- reaction reaction_0011 -->
<reaction id="reaction_0011" reversible="yes" type="falloff">
<!-- reaction 0011 -->
<reaction id="0011" reversible="yes" type="falloff">
<equation>SI3H8 (+ M) [=] SIH4 + H3SISIH (+ M)</equation>
<rateCoeff>
<Arrhenius>
<A units="/s"> 3.730000E+12</A>
<A> 3.730000E+12</A>
<b>0.99199999999999999</b>
<E units="cal/mol">50850.000000</E>
</Arrhenius>
<Arrhenius name="k0">
<A units="cm3/mol/s"> 4.360000E+76</A>
<A> 4.360000E+73</A>
<b>-17.260000000000002</b>
<E units="cal/mol">59303.000000</E>
</Arrhenius>
@@ -430,17 +449,17 @@
<products>SIH4:1 H3SISIH:1</products>
</reaction>
<!-- reaction reaction_0012 -->
<reaction id="reaction_0012" reversible="yes" type="falloff">
<!-- reaction 0012 -->
<reaction id="0012" reversible="yes" type="falloff">
<equation>SI3H8 (+ M) [=] SIH2 + SI2H6 (+ M)</equation>
<rateCoeff>
<Arrhenius>
<A units="/s"> 6.970000E+12</A>
<A> 6.970000E+12</A>
<b>0.96909999999999996</b>
<E units="cal/mol">52677.000000</E>
</Arrhenius>
<Arrhenius name="k0">
<A units="cm3/mol/s"> 1.730000E+69</A>
<A> 1.730000E+66</A>
<b>-15.07</b>
<E units="cal/mol">60491.000000</E>
</Arrhenius>
@@ -451,17 +470,17 @@
<products>SI2H6:1 SIH2:1</products>
</reaction>
<!-- reaction reaction_0013 -->
<reaction id="reaction_0013" reversible="yes" type="falloff">
<!-- reaction 0013 -->
<reaction id="0013" reversible="yes" type="falloff">
<equation>SI2H6 (+ M) [=] H2 + H3SISIH (+ M)</equation>
<rateCoeff>
<Arrhenius>
<A units="/s"> 9.086000E+09</A>
<A> 9.086000E+09</A>
<b>1.8340000000000001</b>
<E units="cal/mol">54197.000000</E>
</Arrhenius>
<Arrhenius name="k0">
<A units="cm3/mol/s"> 1.945000E+44</A>
<A> 1.945000E+41</A>
<b>-7.7720000000000002</b>
<E units="cal/mol">59023.000000</E>
</Arrhenius>
@@ -472,17 +491,17 @@
<products>H2:1 H3SISIH:1</products>
</reaction>
<!-- reaction reaction_0014 -->
<reaction id="reaction_0014" reversible="yes" type="falloff">
<!-- reaction 0014 -->
<reaction id="0014" reversible="yes" type="falloff">
<equation>SI2H6 (+ M) [=] SIH4 + SIH2 (+ M)</equation>
<rateCoeff>
<Arrhenius>
<A units="/s"> 1.810000E+10</A>
<A> 1.810000E+10</A>
<b>1.7470000000000001</b>
<E units="cal/mol">50203.000000</E>
</Arrhenius>
<Arrhenius name="k0">
<A units="cm3/mol/s"> 5.090000E+53</A>
<A> 5.090000E+50</A>
<b>-10.369999999999999</b>
<E units="cal/mol">56034.000000</E>
</Arrhenius>