diff --git a/Cantera/python/Cantera/liquidvapor.py b/Cantera/python/Cantera/liquidvapor.py index 7af613d00..4612fdccc 100644 --- a/Cantera/python/Cantera/liquidvapor.py +++ b/Cantera/python/Cantera/liquidvapor.py @@ -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') + diff --git a/Cantera/python/examples/liquid_vapor/critProperties.py b/Cantera/python/examples/liquid_vapor/critProperties.py index 0aef1b419..c2b42c61d 100644 --- a/Cantera/python/examples/liquid_vapor/critProperties.py +++ b/Cantera/python/examples/liquid_vapor/critProperties.py @@ -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) + diff --git a/Cantera/src/BandMatrix.cpp b/Cantera/src/BandMatrix.cpp index 4c9cf3287..ddc29c4ed 100755 --- a/Cantera/src/BandMatrix.cpp +++ b/Cantera/src/BandMatrix.cpp @@ -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; } diff --git a/data/inputs/liquidvapor.cti b/data/inputs/liquidvapor.cti index b47d6c0a8..213fbd6b9 100644 --- a/data/inputs/liquidvapor.cti +++ b/data/inputs/liquidvapor.cti @@ -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 + + ) + + ) + + diff --git a/tools/src/fixtext.cpp b/tools/src/fixtext.cpp index 491a28153..eb120aaad 100644 --- a/tools/src/fixtext.cpp +++ b/tools/src/fixtext.cpp @@ -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; } } +