updated examples
This commit is contained in:
Dave Goodwin
parent
e66da6df6a
commit
adf3649ecd
14 changed files with 132 additions and 96 deletions
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@ -1,27 +1,35 @@
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import sys
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bindir = '/usr/local/bin'
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libdir = '/Users/dgg/dv/sf/cantera/build/lib/powerpc-apple-darwin7.3.0'
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incdir = '/Users/dgg/dv/sf/cantera/build/include'
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libs = '-lclib -loneD -lzeroD -ltransport -lcantera -lrecipes -lcvode -lctlapack -lctmath -lctblas -ltpx -lg2c -lgcc'
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bindir = '/home/goodwin/ct154/bin'
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libdir = '/home/goodwin/dv/sf/cantera/build/lib/i686-pc-linux-gnu'
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incdir = '/home/goodwin/dv/sf/cantera/build/include'
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dflibdir = ''
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libs = ['clib', 'oneD', 'zeroD', 'transport', 'cantera', 'recipes',
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'cvode', 'ctlapack', 'ctmath', 'ctblas', 'tpx']
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f = open('setup.m','w')
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f.write('cd cantera\nbuildux\nexit\n')
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f.write('cd cantera\nbuild_cantera\nexit\n')
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f.close()
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fb = open('cantera/buildux.m','w')
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fb = open('cantera/build_cantera.m','w')
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fb.write("""
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disp('building Cantera..');
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mex private/ctmethods.cpp private/ctfunctions.cpp ...
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mex -I"""+incdir+""" private/ctmethods.cpp private/ctfunctions.cpp ...
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private/xmlmethods.cpp private/phasemethods.cpp ...
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private/thermomethods.cpp private/kineticsmethods.cpp ...
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private/transportmethods.cpp private/reactormethods.cpp ...
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private/wallmethods.cpp private/flowdevicemethods.cpp ...
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private/funcmethods.cpp ...
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private/onedimmethods.cpp private/surfmethods.cpp private/write.cpp ...
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"""+'-I'+incdir+' -L'+libdir+' '+libs+'\n'+"""disp('done.');
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""")
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s = ''
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for lib in libs:
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s += ' '+libdir+'/'+lib+'.lib ...\n'
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fb.write(s)
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fb.write(' "'+dflibdir+'/dformd.lib" ...\n')
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fb.write(' "'+dflibdir+'/dfconsol.lib" ...\n')
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fb.write(' "'+dflibdir+'/dfport.lib" \n')
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fb.close()
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fp = open('cantera/ctbin.m','w')
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@ -182,7 +182,7 @@ def Const(value):
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class PeriodicFunction(Func1):
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def __init__(self, func, T):
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Func1.__init__(self, 50, func._func_id(), array([T],'d'))
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Func1.__init__(self, 50, func.func_id(), array([T],'d'))
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# functions that combine two functions
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@ -209,7 +209,7 @@ class SumFunction(Func1):
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self.f1 = f1
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self.f2 = f2
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self.n = -1
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self._func_id = _cantera.func_newcombo(20, f1._func_id(), f2._func_id())
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self._func_id = _cantera.func_newcombo(20, f1.func_id(), f2.func_id())
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class ProdFunction(Func1):
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"""Product of two functions.
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@ -232,7 +232,7 @@ class ProdFunction(Func1):
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self.f1 = f1
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self.f2 = f2
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self.n = -1
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self._func_id = _cantera.func_newcombo(30, f1._func_id(), f2._func_id())
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self._func_id = _cantera.func_newcombo(30, f1.func_id(), f2.func_id())
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class RatioFunction(Func1):
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"""Ratio of two functions.
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@ -255,6 +255,6 @@ class RatioFunction(Func1):
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self.f1 = f1
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self.f2 = f2
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self.n = -1
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self._func_id = _cantera.func_newcombo(40, f1._func_id(), f2._func_id())
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self._func_id = _cantera.func_newcombo(40, f1.func_id(), f2.func_id())
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@ -271,7 +271,7 @@ class ReactorBase:
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It is also allowed to write
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>>> gas = r.contents()
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"""
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syncContents()
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self.syncContents()
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return self._contents
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@ -10,7 +10,6 @@
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# The catalytic combustion mechanism is from Deutschman et al., 26th
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# Symp. (Intl.) on Combustion,1996 pp. 1747-1754
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#
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# On a Mac G4, this example takes about 20 sec.
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#
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from Cantera import *
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@ -62,7 +61,7 @@ refine_grid = 1 # 1 to enable refinement, 0 to
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# input file 'ptcombust.cti,' which is a stripped-down version of
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# GRI-Mech 3.0.
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gas = importPhase('ptcombust.cti','gas')
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gas.setState_TPX(tinlet, p, comp1)
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gas.set(T = tinlet, P = p, X = comp1)
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################ create the interface object ##################
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@ -1,11 +1,11 @@
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# A CVD example. This example computes the growth rate of a diamond
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#film according to a simplified version of a particular published
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#growth mechanism (see file diamond.cti for details). Only the surface
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#coverage equations are solved here; the gas composition is
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#fixed. (For an example of coupled gas-phase and surface, see
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#catcomb.py.) Atomic hydrogen plays an important role in diamond CVD,
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#and this example computes the growth rate and surface coverages as a
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#function of [H] at the surface for fixed temperature and [CH3].
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# film according to a simplified version of a particular published
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# growth mechanism (see file diamond.cti for details). Only the
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# surface coverage equations are solved here; the gas composition is
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# fixed. (For an example of coupled gas-phase and surface, see
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# catcomb.py.) Atomic hydrogen plays an important role in diamond
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# CVD, and this example computes the growth rate and surface coverages
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# as a function of [H] at the surface for fixed temperature and [CH3].
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from Cantera import *
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import math
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@ -24,7 +24,7 @@ mw = dbulk.molarMasses()[0]
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t = 1200.0
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x = g.moleFractions()
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p = 20.0*OneAtm/760.0 # 20 Torr
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g.setState_TPX(t, p, x)
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g.set(T = t, P = p, X = x)
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ih = g.speciesIndex('H')
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@ -16,7 +16,7 @@ from Cantera.DustyGasTransport import *
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g = importPhase('h2o2.cti')
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# set the gas state
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g.setState_TPX(500.0, OneAtm, "OH:1, H:2, O2:3")
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g.set(T = 500.0, P = OneAtm, X = "OH:1, H:2, O2:3")
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# create a Dusty Gas transport manager for this phase
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d = DustyGasTransport(g)
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@ -44,7 +44,7 @@ refine_grid = 1 # 1 to enable refinement, 0 to
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gas = IdealGasMix(rxnmech, mix)
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# set its state to that of the unburned gas at the burner
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gas.setState_TPX(tburner, p, comp)
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gas.set(T = tburner, P = p, X = comp)
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f = BurnerFlame(gas = gas, grid = initial_grid)
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@ -30,7 +30,7 @@ def isentropic(g = None):
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if g == None:
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gas = GRI30()
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gas.setState_TPX(1200.0,10.0*OneAtm,'H2:1,N2:0.1')
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gas.set(T = 1200.0,P = 10.0*OneAtm,X = 'H2:1,N2:0.1')
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else:
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gas = g
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@ -50,7 +50,7 @@ def isentropic(g = None):
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p = p0*(r+1)/201.0
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# set the state using (p,s0)
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gas.setState_SP(s0,p)
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gas.set(S = s0, P = p)
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h = gas.enthalpy_mass()
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rho = gas.density()
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@ -16,14 +16,14 @@
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#-----------------------------------------------------------------------
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from Cantera import *
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from Cantera.Reactor import Reactor, Reservoir, MassFlowController, Valve
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from Cantera.Reactor import *
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# Use air for stream a. Note that the Air() function does not set the
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# composition correctly; thus, we need to explicitly set the
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# composition to that of air.
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gas_a = Air()
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gas_a.setState_TPX(300.0, OneAtm, 'O2:0.21, N2:0.78, AR:0.01')
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gas_a.set(T = 300.0, P = OneAtm, X = 'O2:0.21, N2:0.78, AR:0.01')
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rho_a = gas_a.density()
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@ -31,7 +31,7 @@ rho_a = gas_a.density()
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# desired to have a pure mixer, with no chemistry, use instead a
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# reaction mechanism for gas_b that has no reactions.
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gas_b = GRI30()
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gas_b.setState_TPX(300.0, OneAtm, 'CH4:1')
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gas_b.set(T = 300.0, P = OneAtm, X = 'CH4:1')
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rho_b = gas_b.density()
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@ -55,17 +55,17 @@ mixer = Reactor(gas_b)
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# create two mass flow controllers connecting the upstream reservoirs
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# to the mixer, and set their mass flow rates to values corresponding
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# to stoichiometric combustion.
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mfc1 = MassFlowController(res_a, mixer)
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mfc1.setMassFlowRate(rho_a*2.5/0.21)
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mfc1 = MassFlowController(upstream = res_a, downstream = mixer,
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mdot = rho_a*2.5/0.21)
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mfc2 = MassFlowController(res_b, mixer)
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mfc2.setMassFlowRate(rho_b*1.0)
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mfc2 = MassFlowController(upstream = res_b, downstream = mixer,
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mdot = rho_b*1.0)
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# connect the mixer to the downstream reservoir with a valve.
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outlet = Valve(mixer, downstream)
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outlet.setValveCoeff(1.0)
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outlet = Valve(upstream = mixer, downstream = downstream, Kv = 1.0)
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sim = ReactorNet([mixer])
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# Since the mixer is a reactor, we need to integrate in time to reach
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# steady state. A few residence times should be enough.
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@ -73,14 +73,12 @@ t = 0.0
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for n in range(30):
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tres = mixer.mass()/(mfc1.massFlowRate() + mfc2.massFlowRate())
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t += 0.5*tres
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mixer.advance(t)
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sim.advance(t)
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print '%14.5g %14.5g %14.5g %14.5g %14.5g' % (t, mixer.temperature(),
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mixer.enthalpy_mass(),
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mixer.pressure(),
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mixer.massFraction('CH4'))
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# view the state of the gas in the mixer
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gas_b.setState_TPY(mixer.temperature(), mixer.pressure(),
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mixer.massFractions())
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print gas_b
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print mixer.contents()
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@ -1,17 +1,29 @@
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# Mixing two streams with reaction. This is the same as mix1.py,
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# except that a source of H atoms is added to ignite the fuel/air
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# mixture. Once ignited, the flow of H atoms is stopped.
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# Mixing two streams.
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# Since reactors can have multiple inlets and outlets, they can be
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# used to implement mixers, splitters, etc. In this example, air and
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# methane are mixed in stoichiometric proportions. Due to the low
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# temperature, no reactions occur. Note that the air stream and the
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# methane stream use *different* reaction mechanisms, with different
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# numbers of species and reactions. When gas flows from one reactor or
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# reservoir to another one with a different reaction mechanism,
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# species are matched by name. If the upstream reactor contains a
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# species that is not present in the downstream reaction mechanism, it
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# will be ignored. In general, reaction mechanisms for downstream
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# reactors should contain all species that might be present in any
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# upstream reactor.
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#
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#-----------------------------------------------------------------------
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import math
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from Cantera import *
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from Cantera.Reactor import Reactor, Reservoir, MassFlowController, Valve
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from Cantera.Reactor import *
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# Use air for stream a. Note that the Air() function does not set the
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# composition correctly; thus, we need to explicitly set the
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# composition to that of air.
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gas_a = Air()
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gas_a.setState_TPX(300.0, OneAtm, 'O2:0.21, N2:0.78, AR:0.01')
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gas_a.set(T = 300.0, P = OneAtm, X = 'O2:0.21, N2:0.78, AR:0.01')
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rho_a = gas_a.density()
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@ -19,7 +31,7 @@ rho_a = gas_a.density()
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# desired to have a pure mixer, with no chemistry, use instead a
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# reaction mechanism for gas_b that has no reactions.
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gas_b = GRI30()
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gas_b.setState_TPX(300.0, OneAtm, 'CH4:1')
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gas_b.set(T = 300.0, P = OneAtm, X = 'CH4:1')
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rho_b = gas_b.density()
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@ -43,51 +55,49 @@ mixer = Reactor(gas_b)
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# create two mass flow controllers connecting the upstream reservoirs
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# to the mixer, and set their mass flow rates to values corresponding
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# to stoichiometric combustion.
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mfc1 = MassFlowController(res_a, mixer)
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mfc1.setMassFlowRate(rho_a*2.5/0.21)
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mfc1 = MassFlowController(upstream = res_a,
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downstream = mixer,
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mdot = rho_a*2.5/0.21)
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mfc2 = MassFlowController(res_b, mixer)
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mfc2.setMassFlowRate(rho_b*1.0)
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# connect the mixer to the downstream reservoir with a valve.
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outlet = Valve(mixer, downstream)
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outlet.setValveCoeff(1.0)
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mfc2 = MassFlowController(upstream = res_b,
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downstream = mixer,
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mdot = rho_b*1.0)
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# add an igniter to ignite the mixture. The 'igniter' consists of a
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# stream of pure H.
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gas_c = IdealGasMix('h2o2.xml')
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gas_c.setState_TPX(300.0, OneAtm, 'H:1')
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gas_c = IdealGasMix('h2o2.cti')
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gas_c.set(T = 300.0, P = OneAtm, X = 'H:1')
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igniter = Reactor(gas_c)
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mfc3 = MassFlowController(igniter, mixer)
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mfc3.setMassFlowRate(0.05)
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mfc3 = MassFlowController(upstream = igniter, downstream = mixer,
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mdot = 0.05)
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# connect the mixer to the downstream reservoir with a valve.
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outlet = Valve(upstream = mixer, downstream = downstream, Kv = 1.0)
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sim = ReactorNet([mixer])
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# Since the mixer is a reactor, we need to integrate in time to reach
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# steady state. A few residence times should be enough.
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t = 0.0
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for n in range(30):
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tres = mixer.mass()/(mfc1.massFlowRate() + mfc2.massFlowRate())
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tnow = t
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t += 0.5*tres
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mixer.advance(t)
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sim.advance(t)
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# if ignited, turn the igniter off.
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# We also need to restart the integration in this case.
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if mixer.temperature() > 1200.0:
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mfc3.setMassFlowRate(0.0)
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mixer.setInitialTime(t)
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mfc3.set(mdot = 0.0)
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sim.setInitialTime(t)
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print '%14.5g %14.5g %14.5g %14.5g %14.5g' % (t, mixer.temperature(),
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mixer.enthalpy_mass(),
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mixer.pressure(),
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mixer.massFraction('CH4'))
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gas_b.setState_TPY(mixer.temperature(), mixer.pressure(), mixer.massFractions())
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# view the state of the gas in the mixer
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gas_b.setState_TPY(mixer.temperature(), mixer.pressure(),
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mixer.massFractions())
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print gas_b
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print mixer.contents()
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@ -10,7 +10,7 @@ from Cantera import rxnpath
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gri3 = GRI30()
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gri3.setState_TPX(1001.0, OneAtm, 'H2:2,O2:1,N2:4')
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gri3.set(T = 1001.0, P = OneAtm, X = 'H2:2,O2:1,N2:4')
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r = Reactor(gri3)
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env = Reservoir(Air())
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@ -19,16 +19,47 @@ env = Reservoir(Air())
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# make it flexible, so that the pressure in the reactor is held
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# at the environment pressure.
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w = Wall(r,env)
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w.set(K = 1.0e6) # set expansion parameter. dV/dt = K(P_1 - P_2)
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w.set(K = 1.0e6) # set expansion parameter. dV/dt = KA(P_1 - P_2)
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w.set(A = 1.0)
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sim = ReactorNet([r])
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time = 0.0
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tim = zeros(100,'d')
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data = zeros([100,5],'d')
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for n in range(100):
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time += 1.e-5
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r.advance(time)
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env.advance(time)
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sim.advance(time)
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tim[n] = time
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data[n,0] = r.temperature()
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data[n,1] = r.moleFraction('OH')
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data[n,2] = r.moleFraction('H')
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data[n,3] = r.moleFraction('H2')
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print '%10.3e %10.3f %10.3f %14.6e' % (r.time(), r.temperature(),
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r.pressure(), r.intEnergy_mass())
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print env.pressure()
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# plot the results if matplotlib is installed.
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# see http://matplotlib.sourceforge.net to get it
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try:
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from matplotlib.matlab import *
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clf
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subplot(2,2,1)
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plot(tim,data[:,0])
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xlabel('Time (s)');
|
||||
ylabel('Temperature (K)');
|
||||
subplot(2,2,2)
|
||||
plot(tim,data[:,1])
|
||||
xlabel('Time (s)');
|
||||
ylabel('OH Mole Fraction');
|
||||
subplot(2,2,3)
|
||||
plot(tim,data[:,2]);
|
||||
xlabel('Time (s)');
|
||||
ylabel('H Mole Fraction');
|
||||
subplot(2,2,4)
|
||||
plot(tim,data[:,3]);
|
||||
xlabel('Time (s)');
|
||||
ylabel('H2 Mole Fraction');
|
||||
show()
|
||||
except:
|
||||
pass
|
||||
|
|
|
|||
|
|
@ -32,7 +32,7 @@ from Cantera.Func import *
|
|||
# 'GRI30()'
|
||||
|
||||
ar = Argon()
|
||||
ar.setState_TPX(1000.0, 20.0*OneAtm, 'AR:1')
|
||||
ar.set(T = 1000.0, P = 20.0*OneAtm, X = 'AR:1')
|
||||
|
||||
# create a reactor to represent the side of the cylinder filled with argon
|
||||
r1 = Reactor(ar)
|
||||
|
|
@ -45,7 +45,7 @@ env = Reservoir(Air())
|
|||
# use GRI-Mech 3.0 for the methane/air mixture, and set its initial state
|
||||
gri3 = GRI30()
|
||||
|
||||
gri3.setState_TPX(500.0, 0.1*OneAtm, 'CH4:1.1, O2:2, N2:7.52')
|
||||
gri3.set(T = 500.0, P = 0.1*OneAtm, X = 'CH4:1.1, O2:2, N2:7.52')
|
||||
|
||||
# create a reactor for the methane/air side
|
||||
r2 = Reactor(gri3)
|
||||
|
|
@ -58,7 +58,7 @@ r2 = Reactor(gri3)
|
|||
|
||||
# add a flexible wall (a piston) between r2 and r1
|
||||
w = Wall(r2, r1)
|
||||
w.set(area = 2.0, K=1.1e-4)
|
||||
w.set(area = 2.0, K=0.55e-4)
|
||||
|
||||
|
||||
# heat loss to the environment. Heat loss always occur through walls,
|
||||
|
|
@ -68,6 +68,8 @@ w.set(area = 2.0, K=1.1e-4)
|
|||
w2 = Wall(r1, env)
|
||||
w2.set(area = 0.5, U=100.0)
|
||||
|
||||
sim = ReactorNet([r1, r2])
|
||||
|
||||
# Now the problem is set up, and we're ready to solve it.
|
||||
print 'finished setup, begin solution...'
|
||||
|
||||
|
|
@ -78,8 +80,7 @@ writeCSV(f,['time (s)','T2 (K)','P2 (Pa)','V2 (m3)',
|
|||
for n in range(300):
|
||||
time += 4.e-5
|
||||
print time, r2.temperature(),n
|
||||
r1.advance(time)
|
||||
r2.advance(time)
|
||||
sim.advance(time)
|
||||
writeCSV(f, [r2.time(), r2.temperature(), r2.pressure(), r2.volume(),
|
||||
r1.temperature(), r1.pressure(), r1.volume()])
|
||||
f.close()
|
||||
|
|
|
|||
19
configure
vendored
19
configure
vendored
|
|
@ -21,7 +21,7 @@
|
|||
|
||||
#######################################################################
|
||||
|
||||
CANTERA_VERSION=${CANTERA_VERSION:="1.5.3"}
|
||||
CANTERA_VERSION=${CANTERA_VERSION:="1.5.4"}
|
||||
|
||||
CANTERA_CONFIG_PREFIX=${CANTERA_CONFIG_PREFIX:=""}
|
||||
|
||||
|
|
@ -82,17 +82,6 @@ SET_PYTHON_SITE_PACKAGE_TOPDIR=${SET_PYTHON_SITE_PACKAGE_TOPDIR:="n"}
|
|||
|
||||
PYTHON_SITE_PACKAGE_TOPDIR=${PYTHON_SITE_PACKAGE_TOPDIR:="/usr/local"}
|
||||
|
||||
#
|
||||
# Proposed extension:
|
||||
# Use when site packages must be put in system directories
|
||||
# but Cantera tutorials must be put in user space.
|
||||
# (this is pretty much the norm on many multiuser unix systems)
|
||||
#
|
||||
SET_PYTHON_SITE_PACKAGE_TOPDIR=${SET_PYTHON_SITE_PACKAGE_TOPDIR:="n"}
|
||||
|
||||
PYTHON_SITE_PACKAGE_TOPDIR=${PYTHON_SITE_PACKAGE_TOPDIR:="/usr/local"}
|
||||
|
||||
|
||||
|
||||
#----------- Matlab --------------------------------------------------
|
||||
|
||||
|
|
@ -101,7 +90,7 @@ PYTHON_SITE_PACKAGE_TOPDIR=${PYTHON_SITE_PACKAGE_TOPDIR:="/usr/local"}
|
|||
# Matlab script. If this is set to "y" but Matlab is not found, the
|
||||
# Matlab toolbox will not be built.
|
||||
|
||||
BUILD_MATLAB_TOOLBOX=${BUILD_MATLAB_TOOLBOX:="y"}
|
||||
BUILD_MATLAB_TOOLBOX=${BUILD_MATLAB_TOOLBOX:="n"}
|
||||
|
||||
|
||||
#----------------------------------------------------------------------
|
||||
|
|
@ -202,7 +191,7 @@ LAPACK_FTN_STRING_LEN_AT_END='y'
|
|||
CXX=${CXX:=g++}
|
||||
|
||||
# C++ compiler flags
|
||||
CXXFLAGS=${CXXFLAGS:="-O0 -Wall"}
|
||||
CXXFLAGS=${CXXFLAGS:="-O2 -Wall"}
|
||||
|
||||
# the C++ flags required for linking
|
||||
#LCXX_FLAGS=
|
||||
|
|
@ -234,7 +223,7 @@ F77=${F77:=g77}
|
|||
F90=${F90:=f90}
|
||||
|
||||
# Fortran compiler flags
|
||||
FFLAGS=${FFLAGS:='-O2 -g'}
|
||||
FFLAGS=${FFLAGS:='-O2'}
|
||||
|
||||
# the additional Fortran flags required for linking, if any
|
||||
#LFORT_FLAGS="-lF77 -lFI77"
|
||||
|
|
|
|||
|
|
@ -11,7 +11,7 @@ ideal_gas(name = 'gas',
|
|||
pressure = 1.0e3,
|
||||
mole_fractions = 'H:0.002, H2:1, CH4:0.01, CH3:0.0002'))
|
||||
|
||||
pure_solid(name = 'diamond',
|
||||
stoichiometric_solid(name = 'diamond',
|
||||
elements = 'C',
|
||||
density = (3.52, 'g/cm3'),
|
||||
species = 'C(d)')
|
||||
|
|
|
|||
Loading…
Add table
Reference in a new issue