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This commit is contained in:
Dave Goodwin
2004-09-29 11:00:39 +00:00
parent c6108e1d32
commit 6efd9ffc91
7 changed files with 120 additions and 46 deletions
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6
Cantera/python/Cantera/liquidvapor.py
View File

@@ -1,4 +1,8 @@
"""Fluids with complete liquid/vapor equations of state."""
"""Fluids with complete liquid/vapor equations of state..
These functions are defined for convenience only. They simply call
function 'importPhase' to import the phase definition from file
'liquidvapor.cti' """
from importFromFile import importPhase

24
Cantera/python/Cantera/set.py
View File

@@ -1,6 +1,30 @@
from exceptions import CanteraError
def setByName(a, options):
"""Set properties of phase 'a' by specifying keywords. Either the full
property name or the short form may be given. The capitalization must
be exactly as shown here.
Note: all extensive property values are specified for a unit mass
- i.e., the *specific* (not molar) property value should be
specified.
keyword short form property
--------------------------------------------
Pressure P pressure
Density Rho density
Temperature T temperature
Volume V specific volume
MoleFractions X mole fractions
MassFracttions Y mass fractions
Enthalpy H specific enthalpy
IntEnergy U specific internal energy
Entropy S specific entropy
Vapor Vap vapor fraction in a two-phase mixture
Liquid Liq liquid fraction in a two-phase mixture
"""
tval = None
pval = None

42
Cantera/python/ctml_writer.py
View File

@@ -1475,55 +1475,21 @@ class Lindemann:
f = p.addChild('falloff')
f['type'] = 'Lindemann'
#--------------------------------------------------------------------
## class gas_transport:
## def __init__(self, geom = 'nonlin',
## welldepth = 0.0,
## diam = 0.0,
## dipole = 0.0,
## polar = 0.0,
## rot_relax = 0.0):
## self._sp = species
## self._geom = geom
## self._params = (welldepth, diam, dipole, polar, rotrelax)
## #global _trdata
## #_trdata[species] = self
## def build(self, s):
## tr = s.addChild('transport')
## g = tr.addChild('string','linear')
## g['title'] = 'geometry'
## tr.addChild('LJ_welldepth',`self._params[0]`)
## tr.addChild('LJ_diameter',`self._params[1]`)
## tr.addChild('dipoleMoment',`self._params[2]`)
## tr.addChild('polarizability',`self._params[3]`)
## tr.addChild('rotRelax',`self._params[4]`)
#get_atomic_wts()
validate()
## if __name__ == "__main__":
## from Cantera import *
## import sys, os, os.path
## file = sys.argv[1]
## base = os.path.basename(file)
## root, ext = os.path.splitext(base)
## dataset(root)
## execfile(file)
## write()
##########################################
#
# $Author$
# $Revision$
# $Date$
# $Log$
# Revision 1.5 2004-09-20 10:25:02 dggoodwin
# Revision 1.6 2004-09-29 11:00:39 dggoodwin
# *** empty log message ***
#
# Revision 1.5 2004/09/20 10:25:02 dggoodwin
# *** empty log message ***
#
# Revision 1.4 2004/07/14 11:24:13 dggoodwin

7
Cantera/src/ArrayViewer.h
View File

@@ -1,5 +1,7 @@
/**
* @file ArrayViewer.h
*
* Header file for class ArrayViewer
*/
/* $Author$
@@ -23,8 +25,9 @@ namespace Cantera {
/**
* A class for 2D arrays stored in column-major
* (Fortran-compatible) form.
* A viewer for 2D arrays stored in column-major
* (Fortran-compatible) form. This class is simply an interface
* to data stored in an external array.
*/
class ArrayViewer {

2
config/configure vendored
View File

@@ -1799,7 +1799,7 @@ fi
#--------------------------------------------------
# Particle Library interface
#--------------------------------------------------
BUILD_PARTICLES=
BUILD_PARTICLES=0
if test "$ENABLE_PARTICLES" = "y"
then

76
data/inputs/silane.cti
View File

@@ -1,15 +1,19 @@
convert_ck: debug = 0
#
# Generated from file silane.inp
# by ck2cti on Mon Aug 25 09:52:58 2003
# by ck2cti on Mon Sep 20 14:24:48 2004
#
# Transport data from file misc_tran.dat.
units(length = "cm", time = "s", quantity = "mol", act_energy = "cal/mol")
ideal_gas(name = "silane",
ideal_gas(name = "gas",
elements = " Si H He ",
species = """ H2 H HE SIH4 SI SIH SIH2 SIH3 H3SISIH SI2H6
H2SISIH2 SI3H8 SI2 SI3 """,
reactions = "all",
transport = "Mix",
initial_state = state(temperature = 300.0,
pressure = OneAtm) )
@@ -29,6 +33,12 @@ species(name = "H2",
4.994567780E-07, -1.795663940E-10, 2.002553760E-14,
-9.501589220E+02, -3.205023310E+00] )
),
transport = gas_transport(
geom = "linear",
diam = 2.92,
well_depth = 38.00,
polar = 0.79,
rot_relax = 280.00),
note = "TPIS78"
)
@@ -42,6 +52,10 @@ species(name = "H",
1.615619480E-14, -4.735152350E-18, 4.981973570E-22,
2.547365990E+04, -4.466829140E-01] )
),
transport = gas_transport(
geom = "atom",
diam = 2.05,
well_depth = 145.00),
note = "L 7/88"
)
@@ -55,6 +69,10 @@ species(name = "HE",
0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
-7.453750000E+02, 9.153489000E-01] )
),
transport = gas_transport(
geom = "atom",
diam = 2.58,
well_depth = 10.20),
note = "120186"
)
@@ -68,6 +86,11 @@ species(name = "SIH4",
-1.139800900E-05, 3.599260400E-09, -4.524157100E-13,
3.198212700E+03, 1.524225700E+01] )
),
transport = gas_transport(
geom = "nonlinear",
diam = 4.08,
well_depth = 207.60,
rot_relax = 1.00),
note = "90784"
)
@@ -81,6 +104,10 @@ species(name = "SI",
2.959229300E-07, -7.280482900E-11, 5.796332900E-15,
5.343705400E+04, 5.220405700E+00] )
),
transport = gas_transport(
geom = "atom",
diam = 2.91,
well_depth = 3036.00),
note = "J 3/67"
)
@@ -94,6 +121,11 @@ species(name = "SIH",
2.898629000E-08, -2.745104000E-10, 7.051799000E-14,
4.516898000E+04, 4.193487000E+00] )
),
transport = gas_transport(
geom = "linear",
diam = 3.66,
well_depth = 95.80,
rot_relax = 1.00),
note = "121986"
)
@@ -107,6 +139,11 @@ species(name = "SIH2",
-2.190730000E-07, -2.073725000E-10, 4.741018000E-14,
3.110484000E+04, 2.930745000E-01] )
),
transport = gas_transport(
geom = "nonlinear",
diam = 3.80,
well_depth = 133.10,
rot_relax = 1.00),
note = "42489"
)
@@ -120,6 +157,11 @@ species(name = "SIH3",
-3.609053000E-07, -3.729193000E-10, 8.468490000E-14,
2.190233000E+04, -4.291368000E+00] )
),
transport = gas_transport(
geom = "nonlinear",
diam = 3.94,
well_depth = 170.30,
rot_relax = 1.00),
note = "42489"
)
@@ -133,6 +175,11 @@ species(name = "H3SISIH",
-2.998472000E-07, -9.465367000E-11, 1.855053000E-14,
3.297169000E+04, -3.264598000E+01] )
),
transport = gas_transport(
geom = "nonlinear",
diam = 4.60,
well_depth = 312.60,
rot_relax = 1.00),
note = "111191"
)
@@ -146,6 +193,11 @@ species(name = "SI2H6",
-1.771320400E-05, 5.639117700E-09, -7.137868200E-13,
7.532184200E+03, 6.132175400E+00] )
),
transport = gas_transport(
geom = "nonlinear",
diam = 4.83,
well_depth = 301.30,
rot_relax = 1.00),
note = "90784"
)
@@ -159,6 +211,11 @@ species(name = "H2SISIH2",
-5.214022000E-07, -5.313742000E-10, 1.188727000E-13,
2.832748000E+04, -2.004478000E+01] )
),
transport = gas_transport(
geom = "nonlinear",
diam = 4.60,
well_depth = 312.60,
rot_relax = 1.00),
note = "42489"
)
@@ -172,6 +229,11 @@ species(name = "SI3H8",
-2.389236100E-05, 7.627193200E-09, -9.676938400E-13,
1.129720500E+04, -2.747565400E+00] )
),
transport = gas_transport(
geom = "nonlinear",
diam = 5.56,
well_depth = 331.20,
rot_relax = 1.00),
note = "90784"
)
@@ -185,6 +247,11 @@ species(name = "SI2",
-5.010852000E-07, 1.806284300E-10, -2.516111100E-14,
6.969470700E+04, 3.862736600E+00] )
),
transport = gas_transport(
geom = "linear",
diam = 3.28,
well_depth = 3036.00,
rot_relax = 1.00),
note = "90784"
)
@@ -198,6 +265,11 @@ species(name = "SI3",
8.982077500E-08, 7.193596400E-12, -2.567083700E-15,
7.414669900E+04, -1.036527400E+01] )
),
transport = gas_transport(
geom = "nonlinear",
diam = 3.55,
well_depth = 3036.00,
rot_relax = 1.00),
note = "J 3/67"
)

9
tools/bin/ctupdate.py
View File

@@ -346,11 +346,16 @@ def get_numeric():
def get_ct():
"""Download cantera."""
server = _ctinfo_srv.server
server = 'http://prdownloads.sourceforge.net/cantera/'
ctfile = 'cantera-1.5.4.tar.gz'
mirror = 'easynews'
url = server+ctfile+'?use_mirror='+mirror
_options['cantera'] = _srv['cantera']
if platform == 'win32' and _bininstall == 1:
path = _ctinfo_srv.WinCanteraPath
urllib.urlretrieve(server+path,'Cantera13.msi',report)
urllib.urlretrieve(server+path,url,report)
_install_script.write('Cantera13.msi\n')
_install_script.write('Cantera13.msi\n')
path = _ctinfo_srv.WinCanteraPyPath
@@ -360,7 +365,7 @@ def get_ct():
elif _bininstall == 0:
_prefix = get_instdir()
path = _ctinfo_srv.SrcCanteraPath
urllib.urlretrieve(server+path,'cantera.tar.gz',report)
print urllib.urlopen(url) #,'get.html',report)
_install_script.write('gunzip cantera.tar.gz\ntar xvf cantera-1.3.tar\n')
_install_script.write('cd '+_ctinfo_srv.SrcCanteraDir+'\n')