From 8f0dac441a108ee243e1a30ab1c54b67063d134b Mon Sep 17 00:00:00 2001 From: Bjarne Kreitz Date: Wed, 4 Dec 2024 13:35:21 -0500 Subject: [PATCH] correct description --- .../libraries/Surface/CPOX_Pt/Vlachos2007/reactions.py | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/input/kinetics/libraries/Surface/CPOX_Pt/Vlachos2007/reactions.py b/input/kinetics/libraries/Surface/CPOX_Pt/Vlachos2007/reactions.py index 4b33e84060..16663777bc 100644 --- a/input/kinetics/libraries/Surface/CPOX_Pt/Vlachos2007/reactions.py +++ b/input/kinetics/libraries/Surface/CPOX_Pt/Vlachos2007/reactions.py @@ -4,13 +4,14 @@ name = "Vlachos_Pt" shortDesc = u"" longDesc = u""" -test surface mechanism: based upon D.G. Vlachos' work: -"A Catalytic Reaction Mechanism for Methane Partial Oxidation at Short Contact Times, Reforming, and Combustion, and for Oxygenate Decomposition and Oxidation on Platinum" +Surface mechanism: based upon D.G. Vlachos' work: +"A Catalytic Reaction Mechanism for Methane Partial Oxidation at Short Contact Times, Reforming, and Combustion, and for +Oxygenate Decomposition and Oxidation on Platinum" Mhadeshwar and Vlachos Ind. Eng. Chem. Res., 2007, 46, 5310-5324 -Note: The pre-exponential values are for surface coverage 2.72E-5 mol/m2 (same as in the Deutschmann 2006 mechanism). -The pre-exponenitals listed here are calculated as follows: A = A_from_paper/(surface coverage)^(n-1)*(300K)^b), where n is the +Note: The pre-exponential values are determined using a surface site density of 2.72E-5 mol/m2 (same as in the Deutschmann 2006 mechanism). +The pre-exponenitals listed here are calculated as follows: A = A_from_paper/(surface site density)^(n-1)*(300K)^b), where n is the order of reaction and b is the given temperature exponent. For sticking coefficients, A = sticking_coefficient_from_paper/(300K)^b. The activation energy is for 300K and does not include coverage or temperature dependence terms.