First commit of demo dir.

Cantera/python/examples/reactors/combustor_sim/.cvsignore

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+Makefile
+air.xml
+combustor.csv
+ct2ctml.log
+diff_csv.txt
+diff_out_0.txt
+gri30.xml
+output_0.txt
+ptcombust.xml
+runtest
+transport_log.xml

Cantera/python/examples/reactors/combustor_sim/Makefile.in

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+#!/bin/sh
+
+PYTHON_CMD = @PYTHON_CMD@
+
+run:
+	$(PYTHON_CMD) combustor.py
+
+test:
+	./runtest
+clean:
+	rm -f *.log *.csv *.xml
+	./cleanup
+
+# end of file
+

Cantera/python/examples/reactors/combustor_sim/cleanup

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+#!/bin/sh
+#
+/bin/rm -rf equilibrate_log*.html
+/bin/rm -rf .cttmp* ct2ctml.log transport_log.xml vcs_equilibrate_res*.csv \
+            combustor.csv output_0.txt diff*

Cantera/python/examples/reactors/combustor_sim/combustor.py

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+""" A combustor. Two separate stream - one pure methane and the other
+ air, both at 300 K and 1 atm flow into an adiabatic combustor where
+ they mix. We are interested in the steady-state burning
+ solution. Since at 300 K no reaction will occur between methane and
+ air, we need to use an 'igniter' to initiate the chemistry. A simple
+ igniter is a pulsed flow of atomic hydrogen. After the igniter is
+ turned off, the system approaches the steady burning solution."""
+
+from Cantera import *
+from Cantera.Reactor import *
+from Cantera.Func import *
+
+# use reaction mechanism GRI-Mech 3.0
+gas = GRI30()
+
+# create a reservoir for the fuel inlet, and set to pure methane.
+gas.set(T = 300.0, P = OneAtm, X = 'CH4:1.0')
+fuel_in = Reservoir(gas)
+fuel_mw = gas.meanMolarMass()
+
+# use predefined function Air() for the air inlet
+air = Air()
+air_in = Reservoir(air)
+air_mw = air.meanMolarMass()
+
+# to ignite the fuel/air mixture, we'll introduce a pulse of radicals.
+# The steady-state behavior is independent of how we do this, so we'll
+# just use a stream of pure atomic hydrogen.
+gas.set(T = 300.0, P = OneAtm, X = 'H:1.0')
+igniter = Reservoir(gas)
+
+
+# create the combustor, and fill it in initially with N2
+gas.set(T = 300.0, P = OneAtm, X = 'N2:1.0')
+combustor = Reactor(contents = gas, volume = 1.0)
+
+# create a reservoir for the exhaust
+exhaust = Reservoir(gas)
+
+# lean combustion, phi = 0.5
+equiv_ratio = 0.5
+
+# compute fuel and air mass flow rates
+factor = 0.1
+air_mdot = factor*9.52*air_mw
+fuel_mdot = factor*equiv_ratio*fuel_mw
+
+# create and install the mass flow controllers. Controllers
+# m1 and m2 provide constant mass flow rates, and m3 provides
+# a short Gaussian pulse only to ignite the mixture
+m1 = MassFlowController(upstream = fuel_in,
+                        downstream = combustor, mdot = fuel_mdot)
+
+# note that this connects two reactors with different reaction
+# mechanisms and different numbers of species. Downstream and upstream
+# species are matched by name.
+m2 = MassFlowController(upstream = air_in,
+                        downstream = combustor, mdot = air_mdot)
+
+# The igniter will use a Guassiam 'functor' object to specify the
+# time-dependent igniter mass flow rate.
+igniter_mdot = Gaussian(t0 = 1.0, FWHM = 0.2, A = 0.1)
+m3 = MassFlowController(upstream = igniter,
+                        downstream = combustor, mdot = igniter_mdot)
+
+# put a valve on the exhaust line to regulate the pressure
+v = Valve(upstream = combustor, downstream = exhaust, Kv = 1.0)
+
+# the simulation only contains one reactor
+sim = ReactorNet([combustor])
+
+# take single steps to 6 s, writing the results to a CSV file
+# for later plotting.
+tfinal = 6.0
+tnow = 0.0
+f = open('combustor.csv','w')
+while tnow < tfinal:
+    tnow = sim.step(tfinal)
+    tres = combustor.mass()/v.massFlowRate()
+    writeCSV(f, [tnow, combustor.temperature(), tres]
+             +list(combustor.moleFractions()))
+f.close()
+

Cantera/python/examples/reactors/combustor_sim/output_blessed_0.txt

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+ Adding reactor (none)
+Initializing reactor network.
+Reactor 0: 55 variables.
+            0 sensitivity params.
+Number of equations: 55
+Maximum time step:                6

Cantera/python/examples/reactors/combustor_sim/runtest.in

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+#!/bin/sh
+#
+#
+temp_success="1"
+/bin/rm  -f output_0.txt  combustor.csv  diff_csv.txt diff_out_0.txt
+
+##########################################################################
+PYTHON_CMD=@PYTHON_CMD@
+prog=combustor.py
+if test ! -f $prog ; then
+   echo $prog ' does not exist'
+   exit -1
+fi
+#################################################################
+#
+CANTERA_DATA=${CANTERA_DATA:=../../../data/inputs}; export CANTERA_DATA
+CANTERA_BIN=${CANTERA_BIN:=../../../bin}
+
+#################################################################
+
+$PYTHON_CMD $prog  > output_0.txt <<+
+1.0
++
+retnStat=$?
+if [ $retnStat != "0" ]
+then
+  temp_success="0"
+  echo "$prog returned with bad status, $retnStat, check output"
+fi
+
+diff -w output_blessed_0.txt output_0.txt > diff_out_0.txt
+retnStat_0=$?
+
+csvdiff -a 1.0E-50 combustor_blessed_0.csv combustor.csv  > diff_csv.txt
+retnStat_csv_0=$?
+
+retnTotal=1
+if test $retnStat_0 = "0" 
+then
+  retnTotal=0
+fi
+
+retnCSVTotal=1
+if test $retnStat_csv_0 = "1" 
+then
+  retnCSVTotal=0
+fi
+
+if test $retnCSVTotal = "0"
+then
+  echo "Successful test comparison on "`pwd`
+    if test $retnTotal = "1"
+    then
+       echo "  But text files show differences. See diff_out_0.txt"
+    fi
+else
+  echo "Unsuccessful test comparison of csv files on "`pwd` " test"
+  echo "     see diff_csv.txt "
+  if test $retnTotal != "0"
+  then
+     echo "      ASCII files are different too - see diff_test*.txt"
+  fi
+fi
+