speth

import cantera as ct
import numpy as np

np.set_printoptions(precision=2, linewidth=144)

surf = ct.Interface('dummysurf2.yml', 'surf')
surf2 = ct.Interface('dummysurf2.yml', 'surf2')
gas = surf.adjacent['gas']
gas.TPX =  1000, 2e5, 'A:0.6, B:0.3, C:0.2, D:0.1'
surf.coverages = 'A(S):0.1, B(S):0.2, C(S):0.3, D(S):0.2, (S):0.2'

speth

scons: Reading SConscript files ...
INFO: SCons is using the following Python interpreter: /usr/bin/python3
INFO: Building Cantera from git commit 'b4616ef32'
INFO: Configuration variables read from 'cantera.conf' and command line:
    prefix = '/usr'
    libdirname = 'lib64'
    python_package = 'full'
    f90_interface = 'y'
    system_eigen = 'y'
    system_fmt = 'y'

speth

units: {length: cm, quantity: mol, activation-energy: kJ/mol}

phases:
- name: gas
  thermo: ideal-gas
  elements: [H, O, N]
  species:
  - gri30.yaml/species: [H2, H2O, N2, O2]
  transport: mixture-averaged
  state:

speth

units: {length: cm, quantity: mol, activation-energy: J/mol}

phases:
- name: gas
  thermo: ideal-gas
  elements: [O, H, C, N, Ar]
  species:
  - gri30.yaml/species: [H2, H, O, O2, OH, H2O, HO2, H2O2, C, CH, CH2, CH2(S),
      CH3, CH4, CO, CO2, HCO, CH2O, CH2OH, CH3O, CH3OH, C2H, C2H2, C2H3,
      C2H4, C2H5, C2H6, HCCO, CH2CO, HCCOH, AR, N2]

speth

units: {length: cm, time: s, quantity: mol, activation-energy: kcal/mol}

phases:
- name: gas
  thermo: ideal-gas
  elements: [H, D, T, C, Ci, O, Oi, N, Ne, Ar, He, Si, S, Cl]
  species: [Ar, Ne, N2, He, O2, CO, CO2, CH4, C2H2-1, O, H, HO, HO2, H2,
    H2O, H2O2, C, CH, CHO, CHO2-1, CHO2-2, CHO3, CHO4, CH2-1, CH2-2, CH2O,
    CH2O2, CH3, CH3O-1, CH3O-2, CH3O2-1, CH3O2-2, CH4O, C2H, C2HO, C2HO2,
    C2H2-2, C2H2O-1, C2H2O-2, C2H2O-3, C2H3, C2H3O-1, C2H3O-2, C2H3O-3,

speth

PROPOSED: |
  * a dedicated section for equation of state information
  * This section is optional if the phase doesn't need this information, e.g.
    the ideal gas phase which requires an ideal gas EOS for all species

example-species:
- name: KCl(s)
  composition: {K: 1, Cl: 1}
  thermo:
    model: NASA7

speth

description: |-
  GRI-Mech Version 3.0 3/12/99  CHEMKIN-II format
  See README30 file at anonymous FTP site unix.sri.com, directory gri;
  WorldWideWeb home page http://www.me.berkeley.edu/gri_mech/ or
  through http://www.gri.org , under 'Basic  Research',
  for additional information, contacts, and disclaimer

units: {length: cm, time: s, quantity: mol, activation-energy: cal/mol}

phases:

speth

#!/bin/bash
### BEGIN INIT INFO
# Provides:
# Required-Start:    $remote_fs $syslog
# Required-Stop:     $remote_fs $syslog
# Default-Start:     2 3 4 5
# Default-Stop:      0 1 6
# Short-Description: Start daemon at boot time
# Description:       Enable service provided by daemon.
### END INIT INFO

speth

units(length='cm', time='s', quantity='mol', act_energy='cal/mol')

ideal_gas(name='gas',
          elements='O H C N E',
          species=['''gri30: H2      H       O       O2      OH      H2O     HO2
                     H2O2    C       CH      CH2     CH2(S)  CH3     CH4
                     CO      CO2     HCO     CH2O    CH3O    N2''',
                    'HCO+    H3O+    E'],
          reactions=['gri30: all', 'all'],
          transport='Mix',

speth

scons: Reading SConscript files ...
Traceback (most recent call last):
  File "c:\src\Canopy\User\Lib\site-packages\scons-2.5.1\SCons\Script\Main.py", line 1346, in main
    _exec_main(parser, values)
  File "c:\src\Canopy\User\Lib\site-packages\scons-2.5.1\SCons\Script\Main.py", line 1309, in _exec_main
    _main(parser)
  File "c:\src\Canopy\User\Lib\site-packages\scons-2.5.1\SCons\Script\Main.py", line 994, in _main
    SCons.Script._SConscript._SConscript(fs, script)
  File "c:\src\Canopy\User\Lib\site-packages\scons-2.5.1\SCons\Script\SConscript.py", line 250, in _SConscript
    exec _file_ in call_stack[-1].globals