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Problematic results for a simple reversible autocatalytic reaction #869

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PENG-Zhen opened this issue Sep 30, 2022 · 0 comments · Fixed by #870 or #860
Closed

Problematic results for a simple reversible autocatalytic reaction #869

PENG-Zhen opened this issue Sep 30, 2022 · 0 comments · Fixed by #870 or #860
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@PENG-Zhen
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Consider a simple reversible autocatalytic reaction: A+B<=>2A, forward_stochastic_reaction_constant = reverse_stochastic_reaction_constant = 0.01. Let this reaction run in a closed reactor, starting with 999 B's and 1 A, and the expected result should be that both A and B counts oscillate around 500. However, the actual result is that A count oscillates around 670 while B count oscillates around 330. It is likely that there is something wrong with the module that deals with stoichiometry.
I also suspect that reaction systems with similar reactions, such as the Brusselator (e.g., 2X+Y=>3X) and the Oregonator (e.g., A+X=>2X+2Z), will face similar issues.
I am gonna use my own version of GA script for now, which seems not as fast as yours but the results look correct. Hopefully the issue will be fixed in your next update.

@briandrawert briandrawert self-assigned this Oct 2, 2022
@briandrawert briandrawert added the bug Something isn't working label Oct 2, 2022
@briandrawert briandrawert added this to the 1.7.1 milestone Oct 2, 2022
@briandrawert briandrawert linked a pull request Oct 3, 2022 that will close this issue
@BryanRumsey BryanRumsey added the ✔️​ Issue / PR has been resolved label Oct 4, 2022
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