2528df0f75
These changes make it unnecessary to copy header files around during the build process, which tends to confuse IDEs and debuggers. The headers which comprise Cantera's external C++ interface are now in the 'include' directory. All of the samples and demos are now in the 'samples' subdirectory.
48 lines
1.5 KiB
Python
48 lines
1.5 KiB
Python
# A CVD example. This example computes the growth rate of a diamond
|
|
# film according to a simplified version of a particular published
|
|
# growth mechanism (see file diamond.cti for details). Only the
|
|
# surface coverage equations are solved here; the gas composition is
|
|
# fixed. (For an example of coupled gas-phase and surface, see
|
|
# catcomb.py.) Atomic hydrogen plays an important role in diamond
|
|
# CVD, and this example computes the growth rate and surface coverages
|
|
# as a function of [H] at the surface for fixed temperature and [CH3].
|
|
|
|
from Cantera import *
|
|
import math
|
|
|
|
print '\n\b****** CVD Diamond Example ******\n'
|
|
|
|
# import the models for the gas and bulk diamond
|
|
g, dbulk = importPhases('diamond.cti',['gas','diamond'])
|
|
|
|
# import the model for the diamond (100) surface
|
|
d = importInterface('diamond.cti','diamond_100',phases = [g, dbulk])
|
|
|
|
ns = d.nSpecies()
|
|
mw = dbulk.molarMasses()[0]
|
|
|
|
t = 1200.0
|
|
x = g.moleFractions()
|
|
p = 20.0*OneAtm/760.0 # 20 Torr
|
|
g.set(T = t, P = p, X = x)
|
|
|
|
ih = g.speciesIndex('H')
|
|
|
|
xh0 = x[ih]
|
|
f = open('diamond.csv','w')
|
|
writeCSV(f, ['H mole Fraction', 'Growth Rate (microns/hour)']+d.speciesNames())
|
|
for n in range(20):
|
|
x[ih] /= 1.4
|
|
g.setState_TPX(t, p, x)
|
|
d.advanceCoverages(10.0) # iintegrate the coverages to steady state
|
|
carbon_dot = d.netProductionRates(phase = dbulk)[0]
|
|
mdot = mw*carbon_dot
|
|
rate = mdot/dbulk.density()
|
|
writeCSV(f,[x[ih],rate*1.0e6*3600.0]+list(d.coverages()))
|
|
f.close()
|
|
|
|
print 'H concentration, growth rate, and surface coverages written to file diamond.csv'
|
|
|
|
|
|
|
|
|