From 6755b49e0ee372061a499205ddf9d92a6002b38f Mon Sep 17 00:00:00 2001 From: Matt Johnson Date: Sat, 3 Feb 2024 16:20:41 -0800 Subject: [PATCH] add a Marcus reaction to the ORR.rms mechanism for testing --- src/testing/ORR.rms | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/src/testing/ORR.rms b/src/testing/ORR.rms index a402cb51..566fe3d5 100644 --- a/src/testing/ORR.rms +++ b/src/testing/ORR.rms @@ -218,4 +218,11 @@ Reactions: radicalchange: 0 reactants: [H2O2A] type: ElementaryReaction +- kinetics: {A: 6.0e12, lmbd_o: 100000.0, lmbd_i_coefs: [ 2.63844404e+03 9.64948798e+00 7.41268237e-03 -6.10277107e-06], beta: 1.2e10 ,n: 1.0, d: 0.0, type: Marcus} + products: [HOOA] + radicalchange: 0 + electronchange: -1 + reversible: false + reactants: [O2A, H+] + type: ElementaryReaction Units: {}