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Add pH diagnostics for mozart_mosaic_4bin_aq chemistry#1342

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jordanschnell merged 6 commits intowrf-model:developfrom
jordanschnell:ph_diags
Feb 9, 2021
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Add pH diagnostics for mozart_mosaic_4bin_aq chemistry#1342
jordanschnell merged 6 commits intowrf-model:developfrom
jordanschnell:ph_diags

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@jordanschnell jordanschnell commented Dec 23, 2020

KEYWORDS: pH, cloud water, aerosols, mozart_mosaic_4bin_aq

SOURCE: Mary Barth (ACOM/MMM NCAR) and Stacy Walters (formerly NCAR)

DESCRIPTION OF CHANGES:

Originally submitted as PR #999, but was resubmitted due to inconsistencies

Alter Registry/registry.chem to include diagnostic pH variables ph_cw, ph_aer01, ph_aer02,
ph_aer03, and ph_aer04.
Modify files, listed below, to calculate and set pH diagnostic variables
MOZART is a gas-phase chemistry mechanism (set of reactions) in WRF-Chem

Diagnostics are activated with namelist,chem option mozart_ph_diag=1

MOSAIC is one of the aerosol models in WRF-Chem that represents the size distribution
of the aerosols with 4 size bins (hence "4bin")

The pH is calculated for each of the 4 aerosol size bins. That is why there are 4 variables: pH_aer1,
aer2, aer3, aer4.

pH is a diagnostic variable and is calculated as part of the aerosol model. However what we added
was the ability to write out the field to the history file. It is by default turned off as an output field,
but can be "turned on" using the iofields.txt file.

There is also cloud water pH (pH_CW) which is calculated as part of the cloud chemistry routine.
Same thing as aerosol pH, by default it is not an output field, but can be included in history files
via iofields.txt.

For pretty pictures and a description of what we learned, feel free to look at the report for the
ACOM lab: https://nar.ucar.edu/2019/acom/predicting-acidity-aerosols-and-cloud-water.

LIST OF MODIFIED FILES:
Registry/registry.chem
chem/chem_driver.F
chem/cloudchem_driver.F
chem/module_mosaic_cloudchem.F
chem/aerosol_driver.F
chem/module_mosaic_driver.F
chem/module_mosaic_therm.F
chem/module_chem_cup.F

KEYWORDS: pH, cloud water, aerosols, mozart_mosaic_4bin_aq

SOURCE: Mary Barth (ACOM/MMM NCAR) and Stacy Walters (formerly NCAR)

DESCRIPTION OF CHANGES:

Originally submitted as PR wrf-model#999, but was resubmitted due to inconsistencies

Alter Registry/registry.chem to include diagnostic pH variables ph_cw, ph_aer01, ph_aer02,
ph_aer03, and ph_aer04.
Modify files, listed below, to calculate and set pH diagnostic variables
MOZART is a gas-phase chemistry mechanism (set of reactions) in WRF-Chem
Diagnostics are activated with namelist,chem option mozart_ph_diag=1

MOSAIC is one of the aerosol models in WRF-Chem that represents the size distribution
of the aerosols with 4 size bins (hence "4bin")

The pH is calculated for each of the 4 aerosol size bins. That is why there are 4 variables: pH_aer1,
aer2, aer3, aer4.

pH is a diagnostic variable and is calculated as part of the aerosol model. However what we added
was the ability to write out the field to the history file. It is by default turned off as an output field,
but can be "turned on" using the iofields.txt file.

There is also cloud water pH (pH_CW) which is calculated as part of the cloud chemistry routine.
Same thing as aerosol pH, by default it is not an output field, but can be included in history files
via iofields.txt.

For pretty pictures and a description of what we learned, feel free to look at the report for the
ACOM lab: https://nar.ucar.edu/2019/acom/predicting-acidity-aerosols-and-cloud-water.

LIST OF MODIFIED FILES:
Registry/registry.chem
chem/chem_driver.F
chem/cloudchem_driver.F
chem/module_mosaic_cloudchem.F
chem/aerosol_driver.F
chem/module_mosaic_driver.F
chem/module_mosaic_therm.F
chem/module_chem_cup.F
@jordanschnell jordanschnell requested a review from a team as a code owner December 23, 2020 14:31
@jordanschnell jordanschnell changed the title TYPE: new feature Add pH diagnostics for mozart_mosaic_4bin_aq chemistry Dec 23, 2020
@davegill
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@jordanschnell
Did you receive a jenkins email after your recent commit?

@jordanschnell
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@davegill - I did not

@jordanschnell
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@ravanah or @kayeekayee - Please approve this PR so it can be merged. Thanks.

@kayeekayee kayeekayee self-requested a review January 13, 2021 18:01
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Approved.

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approve

@jordanschnell jordanschnell merged commit 9f9bc61 into wrf-model:develop Feb 9, 2021
weiwangncar pushed a commit that referenced this pull request Jan 31, 2023
…RT_MOSAIC_4BIN_KPP) and 202 (MOZART_MOSAIC_4BIN_AQ_KPP). (#1813)

Fixed a bug for chem_opt = 201, 202.

TYPE: bug fix

KEYWORDS: MOZART_MOSAIC_4BIN, mozart_pH_diag, bug fix

SOURCE: Internal

DESCRIPTION OF CHANGES:
Problem:
Users will experience a stalled simulation upon writing history files. This was caused by the pH diagnostics added in v4.3 (#1342) not being activated with the namelist option mozart_ph_diag = 1.

Solution:
Add as optional arguments only filled if the namelist is activated.

LIST OF MODIFIED FILES: list of changed files (use git diff --name-status master to get formatted list)
M chem/aerosol_driver.F
M chem/cloudchem_driver.F
M chem/module_mosaic_cloudchem.F
M chem/module_mosaic_driver.F
M chem/module_mosaic_therm.F

TESTS CONDUCTED:

Yes, the fix remedies the problem.
The Jenkins tests have passed.
RELEASE NOTE: This PR addresses a bug introduced in WRF v4.3 that affects users using chem_opts = 201 (MOZART_MOSAIC_4BIN_KPP) and 202 (MOZART_MOSAIC_4BIN_AQ_KPP).
vlakshmanan-scala pushed a commit to scala-computing/WRF that referenced this pull request Apr 4, 2024
KEYWORDS: pH, cloud water, aerosols, mozart_mosaic_4bin_aq

SOURCE: Mary Barth (ACOM/MMM NCAR) and Stacy Walters (formerly NCAR)

DESCRIPTION OF CHANGES:

Originally submitted as PR wrf-model#999, but was resubmitted due to inconsistencies

Alter Registry/registry.chem to include diagnostic pH variables ph_cw, ph_aer01, ph_aer02,
ph_aer03, and ph_aer04.
Modify files, listed below, to calculate and set pH diagnostic variables
MOZART is a gas-phase chemistry mechanism (set of reactions) in WRF-Chem

Diagnostics are activated with namelist,chem option mozart_ph_diag=1

MOSAIC is one of the aerosol models in WRF-Chem that represents the size distribution
of the aerosols with 4 size bins (hence "4bin")

The pH is calculated for each of the 4 aerosol size bins. That is why there are 4 variables: pH_aer1,
aer2, aer3, aer4.

pH is a diagnostic variable and is calculated as part of the aerosol model. However what we added
was the ability to write out the field to the history file. It is by default turned off as an output field,
but can be "turned on" using the iofields.txt file.

There is also cloud water pH (pH_CW) which is calculated as part of the cloud chemistry routine.
Same thing as aerosol pH, by default it is not an output field, but can be included in history files
via iofields.txt.

For pretty pictures and a description of what we learned, feel free to look at the report for the
ACOM lab: https://nar.ucar.edu/2019/acom/predicting-acidity-aerosols-and-cloud-water.

LIST OF MODIFIED FILES:
Registry/registry.chem
chem/chem_driver.F
chem/cloudchem_driver.F
chem/module_mosaic_cloudchem.F
chem/aerosol_driver.F
chem/module_mosaic_driver.F
chem/module_mosaic_therm.F
chem/module_chem_cup.F
vlakshmanan-scala pushed a commit to scala-computing/WRF that referenced this pull request Apr 4, 2024
…RT_MOSAIC_4BIN_KPP) and 202 (MOZART_MOSAIC_4BIN_AQ_KPP). (wrf-model#1813)

Fixed a bug for chem_opt = 201, 202.

TYPE: bug fix

KEYWORDS: MOZART_MOSAIC_4BIN, mozart_pH_diag, bug fix

SOURCE: Internal

DESCRIPTION OF CHANGES:
Problem:
Users will experience a stalled simulation upon writing history files. This was caused by the pH diagnostics added in v4.3 (wrf-model#1342) not being activated with the namelist option mozart_ph_diag = 1.

Solution:
Add as optional arguments only filled if the namelist is activated.

LIST OF MODIFIED FILES: list of changed files (use git diff --name-status master to get formatted list)
M chem/aerosol_driver.F
M chem/cloudchem_driver.F
M chem/module_mosaic_cloudchem.F
M chem/module_mosaic_driver.F
M chem/module_mosaic_therm.F

TESTS CONDUCTED:

Yes, the fix remedies the problem.
The Jenkins tests have passed.
RELEASE NOTE: This PR addresses a bug introduced in WRF v4.3 that affects users using chem_opts = 201 (MOZART_MOSAIC_4BIN_KPP) and 202 (MOZART_MOSAIC_4BIN_AQ_KPP).
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3 participants