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changes to support the classes for CO2 and heptane in tpx

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This commit is contained in:
Dave Goodwin 2005-09-16 04:57:32 +00:00
parent 11a9b6888e
commit 29825431df
5 changed files with 236 additions and 18 deletions
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7
Cantera/python/Cantera/liquidvapor.py
View file

@ -23,3 +23,10 @@ def Oxygen():
def HFC134a():
return importPhase('liquidvapor.cti','hfc134a')
def CarbonDioxide():
return importPhase('liquidvapor.cti','carbondioxide')
def Heptane():
return importPhase('liquidvapor.cti','heptane')

6
Cantera/python/examples/liquid_vapor/critProperties.py
View file

@ -10,7 +10,10 @@ fluids = {'water':Water(),
'nitrogen':Nitrogen(),
'methane':Methane(),
'hydrogen':Hydrogen(),
'oxygen':Oxygen()}
'oxygen':Oxygen(),
'carbondioxide':CarbonDioxide(),
'heptane':Heptane()
}
print 'Critical State Properties'
print '%20s %10s %10s %10s' % ('Fluid','Tc [K]', 'Pc [Pa]', 'Zc')
@ -23,3 +26,4 @@ for name in fluids.keys():
zc = pc*mw/(rc*GasConstant*tc)
print '%20s %10.4g %10.4G %10.4G' % (name, tc, pc, zc)

10
Cantera/src/BandMatrix.cpp
View file

@ -140,8 +140,8 @@ namespace Cantera {
ofstream fout("bandmatrix.csv");
fout << *this << endl;
fout.close();
error("DGBTRF returned info = "+int2str(info)+".\n"
+"Matrix written to file bandmatrix.csv\n");
//error("DGBTRF returned info = "+int2str(info)+".\n"
// +"Matrix written to file bandmatrix.csv\n");
//throw CanteraError("BandMatrix::factor",
// "DGBTRF returned info = "+int2str(info)+".\n"
// +"Matrix written to file bandmatrix.csv\n");
@ -195,9 +195,9 @@ namespace Cantera {
ofstream fout("bandmatrix.csv");
fout << *this << endl;
fout.close();
throw CanteraError("BandMatrix::solve",
"DGBTRS returned info = "+int2str(info)+".\n"
+"Matrix written to file bandmatrix.csv\n");
//throw CanteraError("BandMatrix::solve",
// "DGBTRS returned info = "+int2str(info)+".\n"
// +"Matrix written to file bandmatrix.csv\n");
}
return info;
}

227
data/inputs/liquidvapor.cti
View file

@ -1,130 +1,335 @@
# These phase definitions represent fluids with complete liquid/vapor
# equations of state. Depending on conditions, they may represent a
# single-phase fluid, either liquid or vapor, or a saturated
# liquid/vapor mixture. They use equations of state in the 'TPX'
# package, which in turn take most of the equations of state from the
# compilation 'Thermodynamic Properties in SI', by W. C. Reynolds.
# the substance flag corresponds to the
liquid_vapor(name = "water",
elements = " O H ",
species = "H2O",
substance_flag = 0,
initial_state = state(temperature = 300.0,
pressure = OneAtm) )
liquid_vapor(name = "nitrogen",
elements = " N ",
species = "N2",
substance_flag = 1,
initial_state = state(temperature = 300.0,
pressure = OneAtm) )
liquid_vapor(name = "methane",
elements = " C H ",
species = "CH4",
substance_flag = 2,
initial_state = state(temperature = 300.0,
pressure = OneAtm) )
liquid_vapor(name = "hydrogen",
elements = " H ",
species = "H2",
substance_flag = 3,
initial_state = state(temperature = 300.0,
pressure = OneAtm) )
liquid_vapor(name = "oxygen",
elements = " O ",
species = "O2",
substance_flag = 4,
initial_state = state(temperature = 300.0,
pressure = OneAtm) )
liquid_vapor(name = "carbondioxide",
elements = " C O ",
species = "CO2",
substance_flag = 7,
initial_state = state(temperature = 280.0,
pressure = OneAtm) )
liquid_vapor(name = "heptane",
elements = " C H ",
species = "C7H16",
substance_flag = 8,
initial_state = state(temperature = 300.0,
pressure = OneAtm) )
liquid_vapor(name = "hfc134a",
elements = " C F H ",
species = "C2F4H2",
substance_flag = 5,
initial_state = state(temperature = 300.0,
pressure = OneAtm) )
#------------------------------------------------------------------
# Note that these species definitions are used ONLY to set the
# reference state values for the entropy and enthalpy at 298.15 K,
# and to define the elemental composition. They are not used to
# compute properties.
#------------------------------------------------------------------
species(name = "H2O",
atoms = " H:2 O:1 ",
thermo = (
NASA( [ 273.16, 1000.00], [ 4.198640560E+00, -2.036434100E-03,
6.520402110E-06, -5.487970620E-09, 1.771978170E-12,
-3.029372670E+04, -8.490322080E-01] ),
NASA( [ 1000.00, 1600.00], [ 3.033992490E+00, 2.176918040E-03,
-1.640725180E-07, -9.704198700E-11, 1.682009920E-14,
-3.000429710E+04, 4.966770100E+00] )
)
)
species(name = "N2",
atoms = " N:2 ",
thermo = (
NASA( [ 63.15, 1000.00], [ 3.298677000E+00, 1.408240400E-03,
-3.963222000E-06, 5.641515000E-09, -2.444854000E-12,
-1.020899900E+03, 3.950372000E+00] ),
NASA( [ 1000.00, 2000.00], [ 2.926640000E+00, 1.487976800E-03,
-5.684760000E-07, 1.009703800E-10, -6.753351000E-15,
-9.227977000E+02, 5.980528000E+00] )
)
)
species(name = "CH4",
atoms = " C:1 H:4 ",
thermo = (
NASA( [ 90.68, 1000.00], [ 5.149876130E+00, -1.367097880E-02,
4.918005990E-05, -4.847430260E-08, 1.666939560E-11,
-1.024664760E+04, -4.641303760E+00] ),
NASA( [ 1000.00, 1700.00], [ 7.485149500E-02, 1.339094670E-02,
-5.732858090E-06, 1.222925350E-09, -1.018152300E-13,
-9.468344590E+03, 1.843731800E+01] )
)
)
species(name = "O2",
atoms = " O:2 ",
thermo = (
NASA( [ 54.34, 1000.00], [ 3.782456360E+00, -2.996734160E-03,
9.847302010E-06, -9.681295090E-09, 3.243728370E-12,
-1.063943560E+03, 3.657675730E+00] ),
NASA( [ 1000.00, 2000.00], [ 3.282537840E+00, 1.483087540E-03,
-7.579666690E-07, 2.094705550E-10, -2.167177940E-14,
-1.088457720E+03, 5.453231290E+00] )
)
)
species(name = "H2",
atoms = " H:2 ",
thermo = (
NASA( [ 13.8, 1000.00], [ 2.344331120E+00, 7.980520750E-03,
-1.947815100E-05, 2.015720940E-08, -7.376117610E-12,
-9.179351730E+02, 6.830102380E-01] ),
NASA( [ 1000.00, 5000.00], [ 3.337279200E+00, -4.940247310E-05,
4.994567780E-07, -1.795663940E-10, 2.002553760E-14,
-9.501589220E+02, -3.205023310E+00] )
)
)
# these thermo values result in h = 0, s = 0 for sat. liquid at 273.15
# K. This convention is not consistent with that followed elsewhere
# in Cantera, but data on the heat of formation of c2f4h2 was not
# found.
species(name = "C2F4H2",
atoms = " C:2 F:4 H:2 ",
thermo = const_cp(
t0 = 273.15,
h0 = 23083414.8686,
s0 = 167025.466
)
species(name = "CO2",
atoms = " C:1 O:2 ",
thermo = (
NASA( [ 200.00, 1000.00], [ 2.356773520E+00, 8.984596770E-03,
-7.123562690E-06, 2.459190220E-09, -1.436995480E-13,
-4.837196970E+04, 9.901052220E+00] ),
NASA( [ 1000.00, 3500.00], [ 3.857460290E+00, 4.414370260E-03,
-2.214814040E-06, 5.234901880E-10, -4.720841640E-14,
-4.875916600E+04, 2.271638060E+00] )
)
)
species(name = "C7H16",
atoms = " C:7 H:16 ",
thermo = (
NASA( [ 200.00, 1000.00], [ 1.115324840E+01, -9.494154330E-03,
1.955711810E-04, -2.497525200E-07, 9.848732130E-11,
-2.677117350E+04, -1.590961100E+01] ),
NASA( [ 1000.00, 6000.00], [ 1.853547040E+01, 3.914204680E-02,
-1.380302680E-05, 2.224038740E-09, -1.334525800E-13,
-3.195007830E+04, -7.019028400E+01] )
)
)
# these thermo values result in h = 0, s = 0 for sat. liquid at 273.15
# K. This convention is not consistent with that followed elsewhere
# in Cantera, but data on the heat of formation of c2f4h2 was not
# found.
species(name = "C2F4H2",
atoms = " C:2 F:4 H:2 ",
thermo = const_cp(
t0 = 273.15,
h0 = 23083414.8686,
s0 = 167025.466
)
)

4
tools/src/fixtext.cpp
View file

@ -16,7 +16,7 @@ using namespace std;
int main() {
char ch;
char last_eol = ' ';
char last_eol=' ';
const char char10 = char(10);
const char char13 = char(13);
string line;
@ -31,8 +31,10 @@ int main() {
break;
}
if (isprint(ch)) line += ch;
if (ch == '\t') {line += ' '; line += ' '; line += ' '; line += ' ';}
}
cout << line << endl;
if (cin.eof()) break;
}
}