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.
122 lines
5 KiB
Python
Executable file
122 lines
5 KiB
Python
Executable file
####################################################################
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print """
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Tutorial 2: Using your own reaction mechanism files
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"""
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####################################################################
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from Cantera import *
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from time import clock
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t0 = clock()
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# In the last tutorial, we used function GRI30 to create an object
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# that models an ideal gas mixture with the species and reactions of
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# GRI-Mech 3.0. Another way to do this is shown here, with statements
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# added to measure how long this takes:
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gas1 = importPhase('gri30.cti', 'gri30')
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print 'time to create gas1 = ',clock() - t0
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# Function 'importPhase' constructs an object representing a phase of
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# matter by reading in attributes of the phase from a file, which in
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# this case is 'gri30.cti'. This file contains several phase
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# spcifications; the one we want here is 'gri30', which is specified
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# by the second argument. This file contains a complete specification
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# of the GRI-Mech 3.0 reaction mechanism, including element data
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# (name, atomic weight), species data (name, elemental composition,
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# coefficients to compute thermodynamic and transport properties), and
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# reaction data (stoichiometry, rate coefficient parameters). The file
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# is written in a format understood by Cantera, which is described in
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# the document "Defining Phases and Interfaces."
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# On some systems, processing long CTI files like gri30.cti can be a
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# little slow. For example, using a typical laptop computer running
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# Windows 2000, the statement above takes more than 4 s, while on a
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# Mac Powerbook G4 of similar CPU speed it takes only 0.3 s. In any
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# case, running it again takes much less time, because Cantera
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# 'remembers' files it has already processed and doesn't need to read
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# them in again:
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t0 = clock()
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gas1b = importPhase('gri30.cti', 'gri30')
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print 'time to create gas1 again = ',clock() - t0
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# CTI files distributed with Cantera
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#-----------------------------------
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# Several reaction mechanism files in this format are included in the
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# Cantera distribution, including ones that model high-temperature
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# air, a hydrogen/oxygen reaction mechanism, and a few surface
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# reaction mechanisms. Under Windows, these files may be located in
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# 'C:\Program Files\Common Files\Cantera', or in 'C:\cantera\data',
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# depending on how you installed Cantera and the options you
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# specified. On a unix/linux/Mac OSX machine, they are usually kept
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# in the 'data' subdirectory within the Cantera installation
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# directory.
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# If for some reason Cantera has difficulty finding where these files
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# are on your system, set environment variable CANTERA_DATA to the
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# directory where they are located. Alternatively, you can call function
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# addDirectory to add a directory to the Cantera search path:
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addDirectory('/usr/local/cantera/my_data_files')
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# Cantera input files are plain text files, and can be created with
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# any text editor. See the document 'Defining Phases and Interfaces'
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# for more information.
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# A Cantera input file may contain more than one phase specification,
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# or may contain specifications of interfaces (surfaces). Here we
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# import definitions of two bulk phases and the interface between them
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# from file diamond.cti:
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gas2 = importPhase('diamond.cti', 'gas') # a gas
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diamond = importPhase('diamond.cti','diamond') # bulk diamond
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diamonnd_surf = importInterface('diamond.cti','diamond_100',
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phases = [gas2, diamond])
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# Note that the bulk (i.e., 3D) phases that participate in the surface
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# reactions must also be passed as arguments to importInterface.
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# Multiple phases defined in the same input file can be imported with
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# one statement:
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[gas3, diamond2] = importPhases('diamond.cti', ['gas','diamond'])
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# Note that when Cantera reads a .cti input file, wherever it is
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# located, it always writes a file of the same name but with extension
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# .xml *in the local directory*. If you happen to have some other file
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# by that name, it will be overwritten. Once the XML file is created,
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# you can use it instead of the .cti file, which will result in
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# somewhat faster startup.
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gas4 = importPhase('gri30.xml','gri30')
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# Interfaces can be imported from XML files too.
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diamonnd_surf2 = importInterface('diamond.xml','diamond_100',
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phases = [gas2, diamond])
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# Converting CK-format files
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# --------------------------
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# Many existing reaction mechanism files are in "CK format," by which
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# we mean the input file format developed for use with the Chemkin-II
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# software package. [See R. J. Kee, F. M. Rupley, and J. A. Miller,
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# Sandia National Laboratories Report SAND89-8009 (1989).]
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# Cantera comes with a converter utility program 'ck2cti' (or
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# 'ck2cti.exe') that converts CK format into Cantera format. This
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# program should be run from the command line first to convert any CK
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# files you plan to use into Cantera format. This utility program can
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# also be downloaded from the Cantera User's Group web site.
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#
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# Here's an example of how to use it:
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#
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# ck2cti -i mech.inp -t therm.dat -tr tran.dat -id mymech > mech.cti
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#
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