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Compound mapping

The compounds save in the XFlow file may not necessarily correspond 1:1 with the compounds on the product stream. Therefore, a compound mapping needs to be set up, which may or may not require manual interaction and/or inspection. The compound mapping is available at the Settings page of the XFlowLoader unit operation user interface.

Compounds in the XFlow file are automatically mapped to compound in the product stream, if the ID, name or CAS registry number match. A case-insensitive string comparison is done for these tests. Automatic mapping can be manually overridden.

Each XFlow compound can be manually mapped to a product flow compound, or to "Purge" or to "Unused".

"Purge" implies that any non-zero incoming flow of that compound goes lost, which affects the overall flow rate and mass balance. If any compound with non-zero composition is indeed purged, the only product flash that is supported is the TP flash, as both the location of the phase envelope and the enthalpy content of the stream are altered by removing compounds. Furthermore, if purging compounds leads to a zero flow rate, the resulting composition can no longer be normalized and the XFlowLoader unit will fail to calculate with an error message describing the cause.

"Unused" implies that the compound may be present in the XFlow file, but is not in the product stream. As opposed to the "Purge" option, the composition of this compound must be zero in the XFlow file, or the XFlowLoader unit will fail to calculate with an error message describing the cause.

Multiple XFlow compounds can be mapped to a single product compound. This may be useful to map for example several isomers to a pseudo compound capturing all isomers in the product stream.

The opposite action of mapping one XFlow compound to multiple product stream compounds is not (yet) supported.