TAGGED: chemical-kinetics, wall-surface-reaction
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July 21, 2023 at 1:31 am
wei
SubscriberHello Ansys experts,
I am modeling a wall surface reaction. Consider the chemical reaction ongoing on a surface is A (species in fluid) + B (site species) --> C (solid species);
If I understand correctly, Ansys Fluent computes the reaction rate by R=k*c(A)*c(B), where k is the reaction constant, c(A) is the molar concentration in fluid in the unit [kmol/m^3] and c(B) represents the site density in the unit [kmol/m^2]. Neither the backward reaction nor coverage dependence was considered in this context.
k and c(B) are both just inputs from me, and they are not changing throughout the simulation period if I understand correctly. Notice that the temperature exponent and activation energy for reactions are both zero in the current simulation.
My question is
- how Ansys Fluent selects c(A). Is it the molar concentration at the cell adjacent to the reaction surface?
- If my understanding above is correct?
Thank you and regards
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July 25, 2023 at 6:36 am
SVV
Ansys EmployeeHi ,
Please refer to the following user manaul page to know how rate of reaction is computed for surface reaction. Please refer to the equation 7-54.in 7.1.2. Wall Surface Reactions and Chemical Vapor Deposition (ansys.com)
C(A) is the Molar concentration of surface absorbed gaseous species on the wall
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July 25, 2023 at 10:15 pm
wei
SubscriberHi Swathi,
Thank you for your reply. However, I am still not quite sure about the difference between the molar concentration of surface-absorbed gaseous species on the wall and that at the cell adjacent to the wall.
The below image shows the molar concentration of A near the target wall. Can I say c(A)=5.7e-16 kmol/m^3?
Thank you and regards
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July 26, 2023 at 1:10 am
wei
SubscriberAlso, I think it should be [Gi] instead of [Ci] in the equation 7-54.in 7.1.2. Wall Surface Reactions and Chemical Vapor Deposition (ansys.com), right?Â
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