Tutorial: Working with input files

CTI files

This is the typical way to create a Cantera “phase” object in Matlab:

gas1 = Solution('gri30.cti', 'gri30');

This statement constructs a Solution object representing a phase of matter by reading in attributes of the phase from a file, which in this case is gri30.cti. This file contains several phase specifications; the one we want here is gri30, which is specified by the second argument. This file contains a complete specification of the GRI-Mech 3.0 reaction mechanism, including element data (name, atomic weight), species data (name, elemental composition, coefficients to compute thermodynamic and transport properties), and reaction data (stoichiometry, rate coefficient parameters). The file is written in a format understood by Cantera, which is described in Defining Phases.

CTI files distributed with Cantera

Several reaction mechanism files in this format are included in the Cantera distribution, including ones that model high-temperature air, a hydrogen/oxygen reaction mechanism, and a few surface reaction mechanisms. These files are kept in the data subdirectory within the Cantera installation directory.

If for some reason Cantera has difficulty finding where these files are on your system, set environment variable CANTERA_DATA to the directory or directories (separated using ; on Windows or : on other operating systems) where they are located. Alternatively, you can call function add_directory to add a directory to the Cantera search path:

addDirectory('/usr/local/cantera/my_data_files');

Cantera input files are plain text files, and can be created with any text editor. See Defining Phases for more information.

Importing multiple phases or interfaces

A Cantera input file may contain more than one phase specification, or may contain specifications of interfaces (surfaces). Here we import definitions of two bulk phases and the interface between them from file diamond.cti:

gas2 = Solution('diamond.cti', 'gas');                   % a gas
diamond = Solution('diamond.cti', 'diamond');             % bulk diamond
diamond_surf = importInterface('diamond.cti', 'diamond_100', ...
                               gas2, diamond);

Note that the bulk (i.e., 3D) phases that participate in the surface reactions must also be passed as arguments to importInterface.

Converting CK-format files

See Converting CK-format files in the Working with Input Files documentation.