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IDProjectCategoryView StatusLast Update
0003700OpenFOAMFeaturepublic2021-07-28 19:16
ReportermboesiAssigned Tohenry 
Status closedResolutionsuspended 
PlatformallOSallOS Versionall
Product Versiondev 
Fixed in Version 
Summary0003700: A small modification of the look-up for the chemistry method could enable a smooth integration of custom developed models.
DescriptionThe current selection of the chemistry method limits the available options to "standard" or "TDAC". The look-up procedure is rather complicated by checking if the method is "TDAC" and passing a word based on the boolean value.

    const word methodName
            chemistryTypeDict.lookupOrDefault<bool>("TDAC", false)
          ? "TDAC"
          : "standard"

This look-up prevents any alternative chemistry methods (e.g. load balancing, etc.) from being used within the OF framework. Using alternative chemistry methods requires either modifications to the "basicChemistryModelNew.C" or lots of code duplication as a work around.

Simplifying the look-up of the "method" to:

    const word methodName
        chemistryTypeDict.lookupOrDefault<word>("method", "standard")

could solve this issue, while sill ensuring proper error handling if a non-existen chemistry model is chosen (a modified version of the basicChemistryModelNew.C is attached).
To allow more flexibility to the developments also the chemistry reduction and tabulation could be templated to enable them for custom chemistry models - I have not done this so far, but could provide the files if requested.

Steps To ReproduceN/A
TagsNo tags attached.



2021-07-28 12:57


basicChemistryModelNew.C (6,818 bytes)


2021-07-28 19:16

manager   ~0012116

The change you propose is not compatible with the generalisation of the chemistry implementation we are currently working on. If you would like to get involved in OpenFOAM core development and maintenance see

Creating a specialised load-balancing implementation just for chemistry is not appropriate for OpenFOAM given the number of different parts of the code which would benefit from load-balancing and the limited maintenance funding we receive; we need a single general implementation to avoid unnecessary maintenance overhead. If you would like to get involved in a general load-balancing implementation please contact us directly.

Issue History

Date Modified Username Field Change
2021-07-28 12:57 mboesi New Issue
2021-07-28 12:57 mboesi File Added: basicChemistryModelNew.C
2021-07-28 19:16 henry Assigned To => henry
2021-07-28 19:16 henry Status new => closed
2021-07-28 19:16 henry Resolution open => suspended
2021-07-28 19:16 henry Note Added: 0012116