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ck2cti does not handle species with specific site occupancy #444

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speth opened this issue Mar 16, 2017 · 0 comments
Closed

ck2cti does not handle species with specific site occupancy #444

speth opened this issue Mar 16, 2017 · 0 comments
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bug Input Input parsing and conversion (for example, ck2yaml)

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@speth
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speth commented Mar 16, 2017

Cantera version:

2.3.0 (and current master, 2c3512c)

Expected Behavior:

Surface mechanisms specifying site occupancy for a species should be able to be converted. For example
http://www.detchem.com/mechanisms/05_TWC_PtRh_Chatter2001/sm_C3H6_NO_CO_PtRh_2001_chemkin
which contains in the species definitions the line:

Pt(S) O(S) C3H6(S)/2/ H(S) H2O(S) CO2(S) CO(S) 

which specifies that C3H6(S) takes up 2 sites. This should be translated so that this species has a "size" of 2.

Actual Behavior

The species name is parsed as C3H6(S)/2/, and the mechanism cannot be converted.

@speth speth added bug Input Input parsing and conversion (for example, ck2yaml) labels Mar 16, 2017
@speth speth closed this as completed in 89bca5f Aug 22, 2017
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Labels
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