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NCAR / music-box

A box/column model using MICM chemistry
https://ncar.github.io/music-box/branch/main/
Apache License 2.0
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Create MusicBox configuration for TS1/CAPRAM 2.4 reduced mechanism #130

Open mattldawson opened 1 year ago

mattldawson commented 1 year ago

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 commented 1 year ago

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

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

K20shores commented 1 year ago
  1. Need initial species concentrations
  2. Need N-star values
  3. TS1 mechanism
K20shores commented 1 year ago

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 commented 1 year ago

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

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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

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