Create MusicBox configuration for TS1/CAPRAM 2.4 reduced mechanism

[mattldawson]

Create an example mechanism based on conditions specified here: https://docs.google.com/document/d/1d8Zf26dymRgU6e3RH8DMz2y1vPXGFH-VOCvIB2Dt05o/edit

using the TS1 mechanism from ChemistryCafe and the CAPRAM 2.5 reduced+ mechanism: https://capram.tropos.de/capram_24.html

[K20shores]

To finish this, we need to know how @marybarthbrock want's to handle the N-start values and diffusion coefficient for the CAMP configuration.

• CAMP configuration requires N-star and diffusion coefficient, example CAMP configuration
• CAPRAM only provides alpha values in a table here, table 3b

The options are for us to backsolve for N* or to be provided with the N* values and the diffusion rates

[K20shores]

1. Need initial species concentrations
2. Need N-star values
3. TS1 mechanism

[K20shores]

N-star for capram might be in this file: https://github.com/compdyn/partmc/blob/aqchem/scenarios/8_urban_plume_aq_chem/aq_spec_data_with_abstol.dat

[marybarthbrock]

Hi Kyle, I responded in the Milestone doc about the CAMP JSON file. It's actually in your April 13 email of this email conversation. Nstar seems to be defined there already. There's an updated CAPRAM-TS1 mapping file in the CloudChem-Case1 subfolder called capramHenryClass.xlsx There are initial mixing ratios for the Case in 3 files: ConditionsoftheSimulations.pdf, react (original input file that I use for my personal cloud chemistry box modeling), and Case1_Initmixingratios.xlsx. The last is likely the easiest to work with. It has two sheets, one where the species is each row, and the other where the species is each column. Just trying to make it easy for you. Let me know if there's anything else, Mary ^--^--^--^--^--^--^--^--^--^--^--^--^--^--^-^--^--^--^-^--^ Mary Barth Senior Scientist phone: 303-497-8186 email: ***@***.*** National Center for Atmospheric Research P.O. Box 3000 Boulder, CO 80307 Staff web page <https://staff.ucar.edu/users/barthm> SIMA Web Site <http://sima.ucar.edu> MUSICA Web Site <http://www2.acom.ucar.edu/sections/multi-scale-infrastructure-chemistry-modeling-musica> DC3 Web Site <http://www2.acom.ucar.edu/dc3/> ^--^--^--^--^--^--^--^--^--^--^--^--^--^--^-^--^--^--^-^--^

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On Tue, May 2, 2023 at 3:16 PM Kyle Shores ***@***.***> wrote: N-star for capram might be in this file: https://github.com/compdyn/partmc/blob/aqchem/scenarios/8_urban_plume_aq_chem/aq_spec_data_with_abstol.dat — Reply to this email directly, view it on GitHub <#130 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ALB5EDUV2JZ4FXWLTIA7J5TXEF2SBANCNFSM6AAAAAAWZKOXKI> . You are receiving this because you were mentioned.Message ID: ***@***.***>