mirror of
https://github.com/Cantera/cantera.git
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Adding an example test
This commit is contained in:
Harry Moffat
@@ -1 +1,9 @@
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Makefile
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runtest
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ct2ctml.log
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diff_out_0.txt
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gri30.xml
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h2o2.xml
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output_0.txt
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runtest
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transport_log.xml
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@@ -1,16 +1,28 @@
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#!/bin/sh
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PY_DEMOS = ratecoeffs.py
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INST_DIR=@ct_demodir@/python/fuel_cells
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PYTHON_CMD = @PYTHON_CMD@
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run:
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@(for py in $(PY_DEMOS) ; do \
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echo "running $${py}..."; \
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$(PYTHON_CMD) "$${py}"; \
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done)
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$(PYTHON_CMD) sofc.py
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test:
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./runtest
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install:
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@INSTALL@ -d $(INST_DIR)
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@INSTALL@ -c -m ug+rw,o+r Makefile $(INST_DIR)
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@INSTALL@ -c -m ug+rw,o+r sofc.py $(INST_DIR)
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@INSTALL@ -c runtest $(INST_DIR)
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@INSTALL@ -c cleanup $(INST_DIR)
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@INSTALL@ -c -m ug+rw,o+r output_blessed_0.txt $(INST_DIR)
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@INSTALL@ -c -m ug+rw,o+r sofc_blessed_0.csv $(INST_DIR)
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clean:
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rm -f *.log *.csv *.xml
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./cleanup
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# end of file
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5
Cantera/python/examples/kinetics/cleanup
Executable file
5
Cantera/python/examples/kinetics/cleanup
Executable file
@@ -0,0 +1,5 @@
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#!/bin/sh
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#
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/bin/rm -rf equilibrate_log*.html
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/bin/rm -rf .cttmp* ct2ctml.log transport_log.xml vcs_equilibrate_res*.csv \
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catcomb.csv output_0.txt diff*
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326
Cantera/python/examples/kinetics/output_blessed_0.txt
Normal file
326
Cantera/python/examples/kinetics/output_blessed_0.txt
Normal file
@@ -0,0 +1,326 @@
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2 O <=> O2 3.8997e+07 3.4781e-75
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H + O <=> OH 1.3541e+08 1.1444e-63
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H2 + O <=> H + OH 5195.5 61291
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O + HO2 <=> O2 + OH 2e+10 4.4557e-29
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O + H2O2 <=> OH + HO2 1.0567e+06 2.7088e-06
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O + CH <=> H + CO 5.7e+10 5.4575e-117
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O + CH2 <=> H + HCO 8e+10 2.1659e-55
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O + CH2(S) <=> H2 + CO 1.5e+10 6.9915e-127
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O + CH2(S) <=> H + HCO 1.5e+10 6.2805e-63
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O + CH3 <=> H + CH2O 5.06e+10 8.349e-39
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O + CH4 <=> OH + CH3 2879.5 8090.8
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O + CO <=> CO2 1.6211e+05 5.4285e-82
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O + HCO <=> OH + CO 3e+10 3.9397e-53
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O + HCO <=> H + CO2 3e+10 1.561e-68
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O + CH2O <=> OH + HCO 1.0286e+08 0.00016629
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O + CH2OH <=> OH + CH2O 1e+10 1.7292e-43
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O + CH3O <=> OH + CH2O 1e+10 1.112e-49
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O + CH3OH <=> OH + CH2OH 3.3368e+06 10.709
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O + CH3OH <=> OH + CH3O 46166 2.3038e+05
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O + C2H <=> CH + CO 5e+10 1.4518e-47
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O + C2H2 <=> H + HCCO 5.0171e+07 2.8736e-07
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O + C2H2 <=> OH + C2H 1.2034e-08 3.6658e+12
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O + C2H2 <=> CH2 + CO 2.5792e+07 6.1434e-29
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O + C2H3 <=> H + CH2CO 3e+10 3.6202e-54
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O + C2H4 <=> CH3 + HCO 2.9497e+08 7.1044e-14
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O + C2H5 <=> CH3 + CH2O 2.24e+10 5.4747e-48
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O + C2H6 <=> OH + C2H5 3.6667e+05 148.13
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O + HCCO <=> H + 2 CO 1e+11 1.7495e-68
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O + CH2CO <=> OH + HCCO 14864 2.4948e+05
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O + CH2CO <=> CH2 + CO2 1.818e+08 5.0279e-28
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O2 + CO <=> O + CO2 3.7705e-26 1.4157e-30
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O2 + CH2O <=> HO2 + HCO 7.255e-19 5.2649e+08
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H + O2 <=> HO2 8.4255e+08 3.1963e-24
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H + 2 O2 <=> O2 + HO2 1.7637e+10 6.691e-23
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H + O2 + H2O <=> H2O + HO2 1.4755e+11 5.5974e-22
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H + O2 + N2 <=> HO2 + N2 2.2047e+10 8.3638e-23
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H + O2 + AR <=> HO2 + AR 7.3013e+09 2.7699e-23
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H + O2 <=> O + OH 0.22271 2.1105e+10
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2 H <=> H2 0 0
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H2 + 2 H <=> 2 H2 2.9374e+09 2.1045e-63
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2 H + H2O <=> H2 + H2O 4.8056e+10 3.4429e-62
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2 H + CO2 <=> H2 + CO2 6.1111e+09 4.3782e-63
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H + OH <=> H2O 7.2488e+09 1.9231e-73
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H + HO2 <=> O + H2O 1.2882e+09 8.5369e-31
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H + HO2 <=> H2 + O2 7.4689e+09 1.4105e-30
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H + HO2 <=> 2 OH 2.8953e+10 6.1125e-18
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H + H2O2 <=> H2 + HO2 1.7738e+05 3.8546e-08
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H + H2O2 <=> OH + H2O 2.3848e+07 4.0515e-44
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H + CH <=> H2 + C 1.65e+11 3.2284e-06
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H + CH2 <=> CH3 5.2575e+10 4.5097e-66
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H + CH2(S) <=> H2 + CH 3e+10 14.604
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H + CH3 <=> CH4 2.2624e+11 6.8052e-61
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H + CH4 <=> H2 + CH3 86.241 20.541
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H + HCO <=> CH2O 1.2527e+10 6.5484e-50
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H + HCO <=> H2 + CO 7.34e+10 8.171e-54
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H + CH2O <=> CH2OH 1.1795e+07 5.765e-12
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H + CH2O <=> CH3O 1.275e+07 9.6902e-06
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H + CH2O <=> H2 + HCO 2.9372e+07 4.0254e-06
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H + CH2OH <=> CH3OH 1.4667e+09 3.8627e-57
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H + CH2OH <=> H2 + CH2O 2e+10 2.9315e-44
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H + CH2OH <=> OH + CH3 1.0827e+10 1.1346e+06
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H + CH2OH <=> H2O + CH2(S) 7.056e+09 1.4789e+06
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H + CH3O <=> CH3OH 7.5368e+05 1.2765e-66
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H + CH3O <=> H + CH2OH 1.7954e+07 11.546
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H + CH3O <=> H2 + CH2O 2e+10 1.8853e-50
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H + CH3O <=> OH + CH3 3.1245e+10 2.1058
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H + CH3O <=> H2O + CH2(S) 1.1724e+10 1.5803
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H + CH3OH <=> H2 + CH2OH 7.6681e+05 0.2086
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H + CH3OH <=> H2 + CH3O 1.8945e+05 80136
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H + C2H <=> C2H2 2.7906e+11 7.7427e-81
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H + C2H2 <=> C2H3 9.3291e+07 2.2297e-15
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H + C2H3 <=> C2H4 1.2514e+10 2.8585e-66
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H + C2H3 <=> H2 + C2H2 3e+10 8.9929e-40
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H + C2H4 <=> C2H5 3.2606e+08 1.6797e-15
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H + C2H4 <=> H2 + C2H3 2.9695 9313.7
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H + C2H5 <=> C2H6 8.455e+10 1.7688e-57
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H + C2H5 <=> H2 + C2H4 2e+09 2.7814e-40
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H + C2H6 <=> H2 + C2H5 19131 0.65517
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H + HCCO <=> CH2(S) + CO 1e+11 0.00026891
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H + CH2CO <=> H2 + HCCO 74319 1.0574e+05
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H + CH2CO <=> CH3 + CO 3.5961e+07 2.5476e-18
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H + HCCOH <=> H + CH2CO 1e+10 5.3609e-13
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H2 + CO <=> CH2O 1.2287e-50 5.77e-46
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H2 + OH <=> H + H2O 3.7688e+06 0.00013956
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2 OH <=> H2O2 3.851e+09 6.0139e-23
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2 OH <=> O + H2O 1.0836e+09 0.0034014
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OH + HO2 <=> O2 + H2O 3.3544e+10 2.3458e-40
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OH + H2O2 <=> H2O + HO2 9.7716e+08 7.8632e-15
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OH + H2O2 <=> H2O + HO2 6.3934e-07 5.1448e-30
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OH + C <=> H + CO 5e+10 2.0741e-101
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OH + CH <=> H + HCO 3e+10 2.1872e-54
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OH + CH2 <=> H + CH2O 2e+10 3.3492e-44
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OH + CH2 <=> H2O + CH 6.6354e+06 7.7346e-07
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OH + CH2(S) <=> H + CH2O 3e+10 7.7693e-51
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OH + CH3 <=> CH3OH 6.9216e+10 1.7394e-51
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OH + CH3 <=> H2O + CH2 57969 0.017929
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OH + CH3 <=> H2O + CH2(S) 2.866e+10 5.732e+10
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OH + CH4 <=> H2O + CH3 4.9037e+06 4.325e-05
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OH + CO <=> H + CO2 4.6614e+07 1.8469e-08
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OH + HCO <=> H2O + CO 5e+10 2.0612e-64
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OH + CH2O <=> H2O + HCO 6.0804e+09 3.0858e-14
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OH + CH2OH <=> H2O + CH2O 5e+09 2.7139e-55
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OH + CH3O <=> H2O + CH2O 5e+09 1.7454e-61
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OH + CH3OH <=> H2O + CH2OH 5.3031e+08 5.3423e-09
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OH + CH3OH <=> H2O + CH3O 4.5799e+07 0.0007174
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OH + C2H <=> H + HCCO 2e+10 3.7604e-25
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OH + C2H2 <=> H + CH2CO 1.6368e+05 5.5853e-11
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OH + C2H2 <=> H + HCCOH 0.036751 2.3394e+05
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OH + C2H2 <=> H2O + C2H 0.19191 1.8351e+08
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OH + C2H2 <=> CH3 + CO 1.1205e+05 2.7086e-36
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OH + C2H3 <=> H2O + C2H2 5e+09 5.5502e-51
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OH + C2H4 <=> H2O + C2H3 4.8903e+06 0.56798
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OH + C2H6 <=> H2O + C2H5 1.468e+08 1.8616e-07
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OH + CH2CO <=> H2O + HCCO 2.6187e+08 0.013797
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2 HO2 <=> O2 + H2O2 2.0016e+09 1.7395e-18
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2 HO2 <=> O2 + H2O2 761.1 6.6144e-25
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HO2 + CH2 <=> OH + CH2O 2e+10 7.0708e-72
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HO2 + CH3 <=> O2 + CH4 1e+09 7.929e-31
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HO2 + CH3 <=> OH + CH3O 3.78e+10 1.1841e-07
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HO2 + CO <=> OH + CO2 9.6354e-07 8.0599e-50
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HO2 + CH2O <=> H2O2 + HCO 0.91332 0.576
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O2 + C <=> O + CO 2.2071e+10 8.676e-91
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C + CH2 <=> H + C2H 5e+10 2.6525e-45
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C + CH3 <=> H + C2H2 5e+10 8.5797e-61
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O2 + CH <=> O + HCO 6.71e+10 4.6359e-43
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H2 + CH <=> H + CH2 5.8592e+08 1.8614e+11
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H2O + CH <=> H + CH2O 2.026e+10 2.9106e-31
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CH + CH2 <=> H + C2H2 4e+10 1.6079e-81
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CH + CH3 <=> H + C2H3 3e+10 3.36e-28
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CH + CH4 <=> H + C2H4 6e+10 5.1032e-32
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CH + CO <=> HCCO 1.49e+10 8.1543e-39
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CH + CO2 <=> CO + HCO 0.59502 1.0949e-49
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CH + CH2O <=> H + CH2CO 2.2442e+11 1.8383e-42
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CH + HCCO <=> CO + C2H2 5e+10 8.3583e-103
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O2 + CH2 => H + OH + CO 4.0387e+08 0
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H2 + CH2 <=> H + CH3 243.37 0.029138
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2 CH2 <=> H2 + C2H2 3185 4.03e-91
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CH2 + CH3 <=> H + C2H4 4e+10 4.4963e-34
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CH2 + CH4 <=> 2 CH3 209.23 0.0059664
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CH2 + CO <=> CH2CO 6.2186e+06 7.5297e-45
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CH2 + HCCO <=> CO + C2H3 3e+10 5.2663e-56
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CH2(S) + N2 <=> CH2 + N2 5.4828e+09 847.91
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CH2(S) + AR <=> CH2 + AR 3.2897e+09 508.75
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O2 + CH2(S) <=> H + OH + CO 2.8e+10 1.7262e-43
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O2 + CH2(S) <=> H2O + CO 1.2e+10 1.9627e-126
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H2 + CH2(S) <=> H + CH3 7e+10 1.2961
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H2O + CH2(S) <=> CH3OH 5.8495e+10 7.3502e-52
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H2O + CH2(S) <=> H2O + CH2 3e+10 4639.5
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CH2(S) + CH3 <=> H + C2H4 3.1219e+10 5.4271e-41
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CH2(S) + CH4 <=> 2 CH3 4.1625e+10 0.18357
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CH2(S) + CO <=> CH2 + CO 9e+09 1391.8
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CH2(S) + CO2 <=> CH2 + CO2 7e+09 1082.5
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CH2(S) + CO2 <=> CO + CH2O 1.4e+10 9.1507e-36
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CH2(S) + C2H6 <=> CH3 + C2H5 1.0063e+11 6.3809e-05
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O2 + CH3 <=> O + CH3O 2.2246e-12 3.1279e+09
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O2 + CH3 <=> OH + CH2O 3.6682e-06 5.7357e-44
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H2O2 + CH3 <=> HO2 + CH4 5421.4 4.9463e-09
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2 CH3 <=> C2H6 2.6706e+10 3.7718e-49
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2 CH3 <=> H + C2H5 229.53 1.5496e+11
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CH3 + HCO <=> CH4 + CO 2.648e+10 1.2376e-53
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CH3 + CH2O <=> CH4 + HCO 1632.8 9.3951e-10
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CH3 + CH3OH <=> CH4 + CH2OH 8.9469 1.0219e-05
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CH3 + CH3OH <=> CH4 + CH3O 2.9823 5.2965
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CH3 + C2H4 <=> CH4 + C2H3 4.0571 53425
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CH3 + C2H6 <=> CH4 + C2H5 3.0599 0.00043996
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H2O + HCO <=> H + H2O + CO 2.0641 3.2073e+08
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HCO <=> H + CO 0.020907 3.2485e+06
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O2 + HCO <=> HO2 + CO 6.8759e+09 4.0531e-15
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O2 + CH2OH <=> HO2 + CH2O 3.9777e+09 3.0873e-05
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O2 + CH3O <=> HO2 + CH2O 1.0693e+06 5.3376e-15
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O2 + C2H <=> CO + HCO 3.5482e+10 7.1181e-101
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H2 + C2H <=> H + C2H2 3.4032e+08 1.3179e-11
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O2 + C2H3 <=> HCO + CH2O 3.0078e+09 3.0615e-55
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C2H4 <=> H2 + C2H2 5.5348e-50 7.2633e-24
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O2 + C2H5 <=> HO2 + C2H4 1.263e+06 0.00093008
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O2 + HCCO <=> OH + 2 CO 7.6388e+08 1.2664e-59
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2 HCCO <=> 2 CO + C2H2 1e+10 3.0545e-55
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N + NO <=> O + N2 1.4885e+10 9.2765e-45
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O2 + N <=> O + NO 49684 9.4241e-20
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OH + N <=> H + NO 1.7615e+10 3.5258e-25
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O + N2O <=> O2 + N2 18.673 7.3351e-58
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O + N2O <=> 2 NO 3.9627e-07 4.7378e-35
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H + N2O <=> OH + N2 0.0068223 2.5396e-50
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OH + N2O <=> HO2 + N2 9.1024e-07 1.6049e-26
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N2O <=> O + N2 2.3027e-31 1.0142e-07
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HO2 + NO <=> OH + NO2 4.7201e+09 1.7182e+05
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O + NO <=> NO2 2.7692e+09 4.0354e-39
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O + NO2 <=> O2 + NO 5.8331e+09 3.5701e-25
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H + NO2 <=> OH + NO 7.2164e+10 4.1854e-13
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O + NH <=> H + NO 4e+10 6.2999e-41
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H + NH <=> H2 + N 1.8397e+10 1.2271e-07
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OH + NH <=> H + HNO 2e+10 0.1975
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OH + NH <=> H2O + N 1.8775e+09 4.6373e-19
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O2 + NH <=> O + HNO 763.48 714.46
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O2 + NH <=> OH + NO 5.624e+06 8.3938e-34
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N + NH <=> H + N2 1.5e+10 1.4723e-95
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H2O + NH <=> H2 + HNO 1.6275 0.43401
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NH + NO <=> OH + N2 5.8172e+09 2.8526e-61
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NH + NO <=> H + N2O 2.8028e+10 3.6921e-13
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O + NH2 <=> OH + NH 3e+09 15.269
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O + NH2 <=> H + HNO 3.9e+10 1.9602e-09
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H + NH2 <=> H2 + NH 8.7719e+07 0.037846
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OH + NH2 <=> H2O + NH 1.0116e+09 1.6163e-11
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NNH <=> H + N2 3.3e+08 1.4238
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NNH <=> H + N2 1.3286e+06 0.0057323
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O2 + NNH <=> HO2 + N2 5e+09 8.1838e-32
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O + NNH <=> OH + N2 2.5e+10 9.1162e-70
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O + NNH <=> NH + NO 7e+10 52.053
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H + NNH <=> H2 + N2 5e+10 1.5455e-70
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OH + NNH <=> H2O + N2 2e+10 2.2893e-81
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CH3 + NNH <=> CH4 + N2 2.5e+10 3.2445e-70
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H + NO <=> HNO 5.6518e+08 2.995e-23
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O + HNO <=> OH + NO 2.5e+10 3.9873e-30
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H + HNO <=> H2 + NO 1.8071e+10 2.4431e-31
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OH + HNO <=> H2O + NO 3.2549e+09 1.6295e-42
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O2 + HNO <=> HO2 + NO 3.3862 0.24241
|
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O + CN <=> CO + N 7.7e+10 6.9621e-46
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||||
OH + CN <=> H + NCO 4e+10 2.1214e-10
|
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H2O + CN <=> OH + HCN 29417 1.3473
|
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O2 + CN <=> O + NCO 1.2844e+10 6.4551
|
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H2 + CN <=> H + HCN 8.0717e+06 1.3689e-08
|
||||
O + NCO <=> CO + NO 2.35e+10 8.0193e-61
|
||||
H + NCO <=> CO + NH 5.4e+10 1.17e-09
|
||||
OH + NCO <=> H + CO + NO 2.5e+09 1.0094e+10
|
||||
N + NCO <=> CO + N2 2e+10 4.2533e-115
|
||||
O2 + NCO <=> CO2 + NO 5.387e-06 6.9023e-81
|
||||
NCO <=> CO + N 1.0631e-29 2.1445e+06
|
||||
NO + NCO <=> CO + N2O 9.4287e+09 2.6911e-33
|
||||
NO + NCO <=> CO2 + N2 1.1035e+10 4.6452e-96
|
||||
HCN <=> H + CN 3.3593e-76 2.7647e+11
|
||||
O + HCN <=> H + NCO 16567 0.61117
|
||||
O + HCN <=> CO + NH 4137.7 3.3073e-21
|
||||
O + HCN <=> OH + CN 1.3439e-09 9.3477e+06
|
||||
OH + HCN <=> H + HOCN 0.021385 1.2728e+06
|
||||
OH + HCN <=> H + HNCO 37.971 8.3627e-10
|
||||
OH + HCN <=> CO + NH2 0.097543 1.5318e-17
|
||||
H + HCN <=> H2CN 1.6858e+09 9.7145e-06
|
||||
N + H2CN <=> CH2 + N2 3.0673e+10 9.9269e-48
|
||||
C + N2 <=> N + CN 1.8815e-23 6.9199e+10
|
||||
CH + N2 <=> N + HCN 1.0224e-06 0.00012478
|
||||
CH + N2 <=> HCNN 2.0209e+09 7.4352e-10
|
||||
CH2 + N2 <=> NH + HCN 1.2365e-44 7.1215e-28
|
||||
CH2(S) + N2 <=> NH + HCN 4.4518e-40 3.9653e-30
|
||||
C + NO <=> O + CN 1.9e+10 4.3549e-11
|
||||
C + NO <=> CO + N 2.9e+10 6.01e-67
|
||||
CH + NO <=> O + HCN 4.1e+10 3.1183e-42
|
||||
CH + NO <=> H + NCO 1.62e+10 4.5454e-47
|
||||
CH + NO <=> HCO + N 2.46e+10 8.9604e-20
|
||||
CH2 + NO <=> H + HNCO 1.4053e+10 8.7412e-55
|
||||
CH2 + NO <=> OH + HCN 1.5832e+09 4.4715e-45
|
||||
CH2 + NO <=> H + HCNO 1.8429e+09 1.9708e-05
|
||||
CH2(S) + NO <=> H + HNCO 1.4053e+10 1.3518e-61
|
||||
CH2(S) + NO <=> OH + HCN 1.5832e+09 6.9151e-52
|
||||
CH2(S) + NO <=> H + HCNO 1.8429e+09 3.0479e-12
|
||||
CH3 + NO <=> H2O + HCN 1.0045e-10 8.7744e-71
|
||||
CH3 + NO <=> OH + H2CN 1.4304e-07 27.141
|
||||
O + HCNN <=> H + CO + N2 2.2e+10 5.7252e-99
|
||||
O + HCNN <=> NO + HCN 2e+09 1.1223e-76
|
||||
O2 + HCNN <=> O + HCO + N2 1.2e+10 2.2534e-25
|
||||
OH + HCNN <=> H + HCO + N2 1.2e+10 2.378e-36
|
||||
H + HCNN <=> CH2 + N2 1e+11 6.1861e-41
|
||||
O + HNCO <=> CO2 + NH 195.82 2.8158e-27
|
||||
O + HNCO <=> CO + HNO 1.0277e-23 3.6832e-48
|
||||
O + HNCO <=> OH + NCO 1.8384 3.0793e+06
|
||||
H + HNCO <=> CO + NH2 6.2381e+05 4.448
|
||||
H + HNCO <=> H2 + NCO 0.033508 4757.8
|
||||
OH + HNCO <=> H2O + NCO 4.0893e+05 2.1501
|
||||
OH + HNCO <=> CO2 + NH2 40893 1.1553e-16
|
||||
HNCO <=> CO + NH 1.8387e-50 7.8953e+07
|
||||
H + HCNO <=> H + HNCO 3.4421e+08 2.0021e-42
|
||||
H + HCNO <=> OH + HCN 2.1521e+07 5.6836e-33
|
||||
H + HCNO <=> CO + NH2 1.8505e+07 7.6748e-49
|
||||
H + HOCN <=> H + HNCO 6.285e+07 2.3257e-11
|
||||
HCCO + NO <=> CO + HCNO 9e+09 4.0026e-26
|
||||
CH3 + N <=> H + H2CN 6.3997e+10 2.4305e-16
|
||||
CH3 + N <=> H2 + HCN 1.0124e+10 4.7801e-75
|
||||
H + NH3 <=> H2 + NH2 28.482 9512
|
||||
OH + NH3 <=> H2O + NH2 9.2611e+07 1.1453
|
||||
O + NH3 <=> OH + NH2 11823 4.6581e+07
|
||||
CO2 + NH <=> CO + HNO 0.35177 8767.1
|
||||
NO2 + CN <=> NO + NCO 4.7365e+10 1.4569e-33
|
||||
NO2 + NCO <=> CO2 + N2O 1.0604e+10 6.9551e-72
|
||||
CO2 + N <=> CO + NO 17.589 8.8858e-19
|
||||
O + CH3 => H2 + H + CO 3.37e+10 0
|
||||
O + C2H4 <=> H + CH2CHO 1.581e+08 0.0077353
|
||||
O + C2H5 <=> H + CH3CHO 1.096e+11 3.6118e-43
|
||||
OH + HO2 <=> O2 + H2O 1.1867 8.299e-51
|
||||
OH + CH3 => H2 + CH2O 2.6311e+09 0
|
||||
H2 + CH <=> CH3 2.0025e+10 5.4567e-64
|
||||
O2 + CH2 => 2 H + CO2 4.6849e+08 0
|
||||
O2 + CH2 <=> O + CH2O 1.9386e+08 3.0764e-35
|
||||
2 CH2 => 2 H + C2H2 1975.7 0
|
||||
H2O + CH2(S) => H2 + CH2O 1.3621e+09 0
|
||||
O2 + C2H3 <=> O + CH2CHO 1.5552e+09 1.9488e+05
|
||||
O2 + C2H3 <=> HO2 + C2H2 2.4776e+07 0.0039327
|
||||
O + CH3CHO <=> OH + CH2CHO 2.8139e+08 6853.9
|
||||
O + CH3CHO => OH + CH3 + CO 2.8139e+08 0
|
||||
O2 + CH3CHO => HO2 + CH3 + CO 9.0869e-19 0
|
||||
H + CH3CHO <=> H2 + CH2CHO 2.7115e+07 55.984
|
||||
H + CH3CHO => H2 + CH3 + CO 2.7115e+07 0
|
||||
OH + CH3CHO => H2O + CH3 + CO 9.7471e+09 0
|
||||
HO2 + CH3CHO => H2O2 + CH3 + CO 6.2066 0
|
||||
CH3 + CH3CHO => CH3 + CH4 + CO 3209.6 0
|
||||
H + CH2CO <=> CH2CHO 9.212e+10 8.5315e-12
|
||||
O + CH2CHO => H + CH2 + CO2 1.5e+11 0
|
||||
O2 + CH2CHO => OH + CO + CH2O 1.81e+07 0
|
||||
O2 + CH2CHO => OH + 2 HCO 2.35e+07 0
|
||||
H + CH2CHO <=> CH3 + HCO 2.2e+10 0.1083
|
||||
H + CH2CHO <=> H2 + CH2CO 1.1e+10 8.5093e-41
|
||||
OH + CH2CHO <=> H2O + CH2CO 1.2e+10 3.4375e-51
|
||||
OH + CH2CHO <=> HCO + CH2OH 3.01e+10 1414
|
||||
CH3 + C2H5 <=> C3H8 9.4024e+09 1.5571e-47
|
||||
O + C3H8 <=> OH + C3H7 1.6489e+06 1181.2
|
||||
H + C3H8 <=> H2 + C3H7 30962 1.8801
|
||||
OH + C3H8 <=> H2O + C3H7 1.8971e+08 4.266e-07
|
||||
H2O2 + C3H7 <=> HO2 + C3H8 1.6693e+05 0.00059737
|
||||
CH3 + C3H8 <=> CH4 + C3H7 6.1039 0.0015562
|
||||
CH3 + C2H4 <=> C3H7 1606.3 1.1615e-09
|
||||
O + C3H7 <=> CH2O + C2H5 9.64e+10 1.1332e-49
|
||||
H + C3H7 <=> C3H8 3.3376e+10 3.9377e-58
|
||||
H + C3H7 <=> CH3 + C2H5 2.427e+08 0.001729
|
||||
OH + C3H7 <=> CH2OH + C2H5 2.41e+10 1638.3
|
||||
HO2 + C3H7 <=> O2 + C3H8 5.3109e+08 1.6517e-27
|
||||
HO2 + C3H7 => OH + CH2O + C2H5 2.41e+10 0
|
||||
CH3 + C3H7 <=> 2 C2H5 3.106e+09 1.4939e+07
|
||||
units: kmol, m, s
|
||||
45
Cantera/python/examples/kinetics/runtest.in
Executable file
45
Cantera/python/examples/kinetics/runtest.in
Executable file
@@ -0,0 +1,45 @@
|
||||
#!/bin/sh
|
||||
#
|
||||
#
|
||||
temp_success="1"
|
||||
/bin/rm -f output_0.txt diff_csv.txt diff_out_0.txt
|
||||
|
||||
##########################################################################
|
||||
PYTHON_CMD=@PYTHON_CMD@
|
||||
prog=ratecoeffs.py
|
||||
if test ! -f $prog ; then
|
||||
echo $prog ' does not exist'
|
||||
exit -1
|
||||
fi
|
||||
#################################################################
|
||||
#
|
||||
CANTERA_DATA=${CANTERA_DATA:=../../../data/inputs}; export CANTERA_DATA
|
||||
CANTERA_BIN=${CANTERA_BIN:=../../../bin}
|
||||
|
||||
#################################################################
|
||||
|
||||
$PYTHON_CMD $prog >output_0.txt
|
||||
retnStat=$?
|
||||
if [ $retnStat != "0" ]
|
||||
then
|
||||
temp_success="0"
|
||||
echo "$prog returned with bad status, $retnStat, check output"
|
||||
fi
|
||||
|
||||
diff -w output_blessed_0.txt output_0.txt > diff_out_0.txt
|
||||
retnStat_0=$?
|
||||
|
||||
retnTotal=1
|
||||
if test $retnStat_0 = "0"
|
||||
then
|
||||
retnTotal=0
|
||||
fi
|
||||
|
||||
|
||||
if test $retnTotal = "0"
|
||||
then
|
||||
echo "Successful test comparison on "`pwd`
|
||||
else
|
||||
echo "Unsuccessful test comparison of txt files on "`pwd` " test"
|
||||
fi
|
||||
|
||||
Reference in New Issue
Block a user