Kinetics search on the RMG website can't find the reactions rates

[Tingchenlee]

Bug Description

Kinetics search on the RMG website can't calculate the reactions rates for some mechanisms, which look like this one:

While their reverse reactions rates can be found:

How to Reproduce

1 N u0 p1 c0 {2,S} {3,S} {4,S}
2 H u0 p0 c0 {1,S}
3 H u0 p0 c0 {1,S}
4 X u0 p0 c0 {1,S}

react with

1 N u0 p1 c0 {2,S} {3,S} {4,S}
2 H u0 p0 c0 {1,S}
3 H u0 p0 c0 {1,S}
4 X u0 p0 c0 {1,S}

Expected Behavior

RMG can calculate the rates of these reactions

Installation Information

• RMG-website

Additional Context

other examples:

• N2H4_X ⇔ N2H4 + X , in Surface_Adsorption_vdW
• H2_X ⇔ H2 + X , in Surface_Adsorption_vdW
• H_X + NH2_X ⇔ NH3 + X + X , in Surface_Adsorption_Dissociative
• N2H_X ⇔ H_X + N2 , in Surface_EleyRideal_Addition_Multiple_Bond
• X_O2_X ⇔ O2 + X + X , in Surface_Adsorption_Bidentate
• N_X + N_X ⇔ N2 + X + X , in Nitrogen

[rwest]

Probably a problem reversing the rate from the sticking coefficient. In order to calculate the reverse rate, from a sticking coefficient, it will need to assume a surface site density. Which might not be specified in the context of a generic web search.

[rwest]

Perhaps this is OK to not calculate the reverse, and just tell users to use it in the forward (sticking) direction.

But in that case the message displayed to users on the website could be clearer.

[xiaoruiDong]

Sorry, I just saw your reply, @rwest.

Some of my investigations are included in
ReactionMechanismGenerator/RMG-website#212 (comment)

For short, in order to get those rates, RMG-website is calling Reaction.generate_reverse_rate_coefficient(), but StickingCoefficient and some other classes don't support this method. And I guess you just mentioned the reason why they are not supported. I can try to modify the message, but need to know which KineticsModels should have such special treatment. Besides, StickingCoefficient and StickingCoefficientBEP, what else? classes defined in surface.pyx?

[github-actions]

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