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unit conversion of pre-exponential factor A of chemkin mechanism in Fluent |
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August 12, 2009, 00:54 |
unit conversion of pre-exponential factor A of chemkin mechanism in Fluent
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#1 |
New Member
Kevin Lee
Join Date: Aug 2009
Posts: 6
Rep Power: 17 |
I have a question about the unit of pre-exponential factor "A" after a mechanism is imported into Fluent. After I imported a mechanism in chemkin format into Fluent, I found that A's value was changed, usually divided by 10^3 for bimolecular reaction, and 10^6 for termolecular reaction.
I am confused with "A" value. CHEMKIN manual says the unit of "A" depends on the number of reactants. what is a correct unit of "A" for a mechanism that is imported into Fluent? Could someone please help clarify this out? Thanks so much. |
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August 12, 2009, 13:38 |
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#2 |
Member
Allan Walsh
Join Date: Mar 2009
Posts: 56
Rep Power: 17 |
The units for "A" depend on the reaction. You can write out the complete reaction and see what the units have to be for A to get the units to cancel. And since the units for FLUENT are specific (ie. m³) and rate constants are often given in other units like mm and the species' concentration [mol/m³] may be used once or twice or more in a mechanism, the conversion of A from one unit system to another will be mechanism dependant.
Not sure if this helps - and the bookkeeping can be tedious. My experience with coworkers is that each mechanism might take a week to implement and test. Good luck. |
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August 12, 2009, 18:01 |
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#3 | |
New Member
Kevin Lee
Join Date: Aug 2009
Posts: 6
Rep Power: 17 |
Allan,
Thanks so much for your reply. It helps a lot. I wrote the following to see if I understood that correctly. The consumption rate of a reactant is d[C]/dt = -k * [C1]*[C2] = -A T^n Exp(-Ea/RT) * [C1]*[C2] assuming a biomolecular elementary reaction. And [C1], [C2] are concentrations of reactants 1 and 2. Let's assume the unit of concentration is [mol/cm^3]. then A's unit should be something like [s]^-1 [mol/cm^3]^-1. This is the unit in cgs. In SI, the unit is [s]^-1 [1e+3 kmol/m^3]^-1. For unimolecular and termolecular reactions, then the SI units would be [s]^-1 [kmol/m^3]^-1, [s]^-1 [1e+6 kmol/m^3]^-1, respectively. Are these correct? Is it true that Fluent will automatically convert the units of "A" after a mechanism is imported into Fluent, assuming that the "A" units in the mechanism file are in cgs? Thanks again. Quote:
Last edited by newbie; August 13, 2009 at 17:10. |
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August 13, 2009, 13:55 |
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#4 |
Member
Allan Walsh
Join Date: Mar 2009
Posts: 56
Rep Power: 17 |
If you are entering reaction rate constants directly into Fluent, they need to be in the units specified by Fluent, not on the "cgs" basis.
I have not read in a Chemkin mechanism to Fluent so I don't know what system the mechanism needs to be specfied in. But it looks like you have the concept down. |
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August 13, 2009, 17:08 |
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#5 | |
New Member
Kevin Lee
Join Date: Aug 2009
Posts: 6
Rep Power: 17 |
Thanks a lot.
Quote:
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November 14, 2010, 06:44 |
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#6 |
New Member
Ayan
Join Date: Nov 2010
Posts: 9
Rep Power: 15 |
Thanks so much for this calculations & clear explanation.....this clears some doubts..
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