[sparta-users] Fwd: Fwd: Hybrid chemical reaction model

[GOKUL G (RA2113002011030) <gg...@sr...>]

---------- Forwarded message ---------
From: Steve Plimpton <sj...@gm...>
Date: Mon, 10 Apr 2023, 20:06
Subject: Re: [sparta-users] Fwd: Hybrid chemical reaction model
To: GOKUL G (RA2113002011030) <gg...@sr...>


Hi - please post your last message to the mailing list (not to me), so that
Michael can see it.
He knows more about the reaction models that I do.

Steve

On Mon, Apr 10, 2023 at 12:47 AM GOKUL G (RA2113002011030) <
gg...@sr...> wrote:

>  velo.20000.txt
> <https://drive.google.com/file/d/1TVKv969UNOgt5Ml7jd1X3WdWHaBOFsGV/view?usp=drive_web>
> Hi steve,
> Herewith I have attached the air.vss and air.tce file of my case. In the
> SPARTA DSMC website it is mentioned that for the use of tce/qk model, the
> reactions in the reaction file named with Q works based on QK model and the
> reactions named with A works based on the TCE model. The same way I have
> changed my reaction file and given the run. But  consider the case
> velo.20000.txt file this should contain some values for all the species
> accordingly based on the dissociation and the exchange reactions taking
> place. But, I am getting only zeros N,O, NO. For N2 and O2 the frac value
> is fixed in the input script itself and there is no change in the values of
> N2 and O2 which means that there is no dissociation or exchange is taking
> place. Kindly help me regarding this.
>
> With Regards,
> *Gokul G*
> Research Scholar,
> Department of Aerospace Engineering,
> SRM Institute of Science and Technology,
> Kattankulathur, Chennai.
> Ph no: 9445940197
>
>
>
> On Thu, Mar 30, 2023 at 2:53 AM Steve Plimpton <sj...@gm...> wrote:
>
>> Also I should add that I ran your script with the default air.vss and
>> air.tce provided in the
>> data directory, since you didn't provide those files.  If you changed the
>> collision/reaction
>> parameters in those files for your runs, then I can't reproduce them.
>>
>> Steve
>>
>> On Wed, Mar 29, 2023 at 3:21 PM Steve Plimpton <sj...@gm...> wrote:
>>
>>> I ran the input script with the data.circle you sent modified in 2 small
>>> ways.
>>> Run only 100 steps, and with this create_grid command (for a much
>>> smaller grid):
>>> create_grid    100 100 1 levels 2 subset 2 * * * 2 2 1
>>>
>>> In your first email you said:
>>> the output file gives only the nfrac values of O2 and N2 and not the
>>> other species like N, NO, O
>>>
>>> But I look at nfrac.0.txt file and it has columns for all 5 species (all
>>> 0.0 at timestep 0).  Likewise for mfrac.
>>> So I don't understand your Q.
>>>
>>> In a later Q you said no chemical reactions are taking place.  If SPARTA
>>> isn't reporting any
>>> reactions in its screen output, that likely means it is an issue with
>>> your model; SPARTA is likely
>>> doing the right thing.
>>>
>>> Steve
>>>
>>> On Wed, Mar 29, 2023 at 12:25 AM GOKUL G (RA2113002011030) <
>>> gg...@sr...> wrote:
>>>
>>>>
>>>> With Regards,
>>>> *Gokul G*
>>>> Research Scholar,
>>>> Department of Aerospace Engineering,
>>>> SRM Institute of Science and Technology,
>>>> Kattankulathur, Chennai.
>>>> Ph no: 9445940197
>>>>
>>>>
>>>>
>>>> ---------- Forwarded message ---------
>>>> From: GOKUL G (RA2113002011030) <gg...@sr...>
>>>> Date: Tue, Mar 28, 2023 at 9:14 AM
>>>> Subject: Re: [sparta-users] Hybrid chemical reaction model
>>>> To: Steve Plimpton <sj...@gm...>
>>>>
>>>>
>>>> Hi Steve
>>>> I have attached the input script as well as the data.circle file.
>>>> though I ran many simulations. The tce/qk model doesn't produce any
>>>> chemical reactions in the output file. Kindly help me in this regard.
>>>>
>>>> Thank you
>>>>
>>>> With Regards,
>>>> *Gokul G*
>>>> Research Scholar,
>>>> Department of Aerospace Engineering,
>>>> SRM Institute of Science and Technology,
>>>> Kattankulathur, Chennai.
>>>> Ph no: +91 9445940197
>>>>
>>>>
>>>>
>>>> On Sat, Mar 25, 2023 at 12:59 AM Steve Plimpton <sj...@gm...>
>>>> wrote:
>>>>
>>>>> To run your input script we also need the data.circle file.  I tried
>>>>> using the one in examples/circle
>>>>> but it gives an error about surface points not inside the simulation
>>>>> box.  So you must be
>>>>> using your own data.circle file.
>>>>>
>>>>> Steve
>>>>>
>>>>>
>>>>>
>>>>> On Tue, Feb 28, 2023 at 10:51 PM GOKUL G (RA2113002011030) via
>>>>> sparta-users <spa...@li...> wrote:
>>>>>
>>>>>> Hi all,
>>>>>> I have done many trials using the hybrid chemical reaction model
>>>>>> tce/qk for simulating at hypersonic speed when I try to compute the nfrac
>>>>>> of each species, the output file gives only the nfrac values of O2 and N2
>>>>>> and not the other species like N, NO, O. Somebody please help regarding
>>>>>> this. I have attached the script below.
>>>>>>
>>>>>>
>>>>>> With Regards,
>>>>>> *Gokul G*
>>>>>> Research Scholar,
>>>>>> Department of Aerospace Engineering,
>>>>>> SRM Institute of Science and Technology,
>>>>>> Kattankulathur, Chennai.
>>>>>> Ph no: 9445940197
>>>>>>
>>>>>> _______________________________________________
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