55a8910686
Reactions of the type A (+B) <=> C (+B) ought to work, as long as they are provided a pressure-dependent rate expression. This commit adds three examples to the test file. The first works OK, the second two cause problems. (For what it's worth, this currently crashes the official chemkin. Or at least the parentheses do; I've not tested the plus. Ansys have created a defect record and say they will fix the issue.)
55 lines
3 KiB
Text
55 lines
3 KiB
Text
Elements
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H C
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End
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SPEC
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(Parens) @#$%^-2 co:lons: [xy2]*{.} plus+ eq=uals plus
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end
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thermo
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300.000 1000.000 5000.000
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(Parens) C 1H 4 G 200.000 3500.000 1000.000 1
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7.48514950E-02 1.33909467E-02-5.73285809E-06 1.22292535E-09-1.01815230E-13 2
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-9.46834459E+03 1.84373180E+01 5.14987613E+00-1.36709788E-02 4.91800599E-05 3
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-4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00 4
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@#$%^-2 C 1H 4 G 200.000 3500.000 1000.000 1
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7.48514950E-02 1.33909467E-02-5.73285809E-06 1.22292535E-09-1.01815230E-13 2
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-9.46834459E+03 1.84373180E+01 5.14987613E+00-1.36709788E-02 4.91800599E-05 3
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-4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00 4
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co:lons: C 1H 4 G 200.000 3500.000 1000.000 1
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7.48514950E-02 1.33909467E-02-5.73285809E-06 1.22292535E-09-1.01815230E-13 2
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-9.46834459E+03 1.84373180E+01 5.14987613E+00-1.36709788E-02 4.91800599E-05 3
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-4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00 4
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[xy2]*{.} C 1H 4 G 200.000 3500.000 1000.000 1
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7.48514950E-02 1.33909467E-02-5.73285809E-06 1.22292535E-09-1.01815230E-13 2
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-9.46834459E+03 1.84373180E+01 5.14987613E+00-1.36709788E-02 4.91800599E-05 3
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-4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00 4
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plus+ C 1H 4 G 200.000 3500.000 1000.000 1
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7.48514950E-02 1.33909467E-02-5.73285809E-06 1.22292535E-09-1.01815230E-13 2
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-9.46834459E+03 1.84373180E+01 5.14987613E+00-1.36709788E-02 4.91800599E-05 3
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-4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00 4
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plus C 1H 4 G 200.000 3500.000 1000.000 1
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7.48514950E-02 1.33909467E-02-5.73285809E-06 1.22292535E-09-1.01815230E-13 2
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-9.46834459E+03 1.84373180E+01 5.14987613E+00-1.36709788E-02 4.91800599E-05 3
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-4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00 4
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eq=uals C 1H 4 G 200.000 3500.000 1000.000 1
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7.48514950E-02 1.33909467E-02-5.73285809E-06 1.22292535E-09-1.01815230E-13 2
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-9.46834459E+03 1.84373180E+01 5.14987613E+00-1.36709788E-02 4.91800599E-05 3
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-4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00 4
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end
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reaction
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(Parens) + @#$%^-2 = 2 [xy2]*{.} 1.2345e12 1.0 200.0
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2(Parens) + [xy2]*{.} = 3@#$%^-2 5.4321e10 1.0 500.0
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plus+ + (Parens) = 2plus+ 9.999e9 9.9 999.9
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2 plus+ + eq=uals = 3(Parens) 9.999e9 9.9 999.9
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plus + plus+ = 2 (Parens) 9.999e9 9.9 999.9
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plus+ eq=uals = plus++(Parens) 9.999e9 9.9 999.9
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co:lons: + eq=uals = 2 (Parens) 9.999e9 9.9 999.9
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plus+ (+plus) = eq=uals (+plus) 9.999e9 9.9 999.9
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LOW / 8.888e8 8.8 888.8 /
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plus+ (+(Parens)) = eq=uals (+(Parens)) 9.999e9 9.9 999.9
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LOW / 8.888e8 8.8 888.8 /
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plus+ (+plus+) = eq=uals (+plus+) 9.999e9 9.9 999.9
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LOW / 8.888e8 8.8 888.8 /
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end
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