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ReactionMechanismGenerator / RMG-Py

Python version of the amazing Reaction Mechanism Generator (RMG).
http://reactionmechanismgenerator.github.io/RMG-Py/
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constantSpecies in simpleReactor? #2249

Closed vbarber820 closed 1 year ago

vbarber820 commented 2 years ago

Topic

General area which your question is related to.

Context

I am using RMG to model atmospheric oxidation (lots of parallels with combustion!) of specific target organic compounds.

Question

In lots of scenarios encountered in the atmosphere or in atmospheric chemistry experiments, certain species (i.e. oxidants or certain inorganic species like HO2) are essentially constant. I'd like to be able to run a simpleReactor with the constantSpecies option. Is this possible, or is constantSpecies restricted only to liquidReactor? When I've tried a simpleReactor , the model will run, but it's obvious from the solver output that the species in question are not being held constant.

Installation Information

Describe your installation method and system information if applicable.

vbarber820 commented 2 years ago

Just following up on this. Is this possible in the current version of RMG? could it be added if not?

github-actions[bot] commented 1 year ago

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