Values for growth factors #2632

jiemeiliu · 2024-12-12T09:32:48Z

Your name

Mer

Your affiliation

HIT

Please provide a clear and concise description of your question or discussion topic.

I have modeled a set of PM2.5 concentrations with GCv14.5.0. I want to extract the concentrations of its secondary organic, secondary inorganic, dust and other components. I checked this version of geos-chem/GeosCore
/aerosol_mod.F90 file, but still not sure what is the appropriate value for SIA_GROWTH, SSA_GROWTH , ORG_GROWTH in PM2.5 calculation. Sincerely hope to get your help.

!==============================================================
   ! P A R T I C U L A T E   M A T T E R
   !
   ! See this GEOS-Chem wiki page for the most up-to-date
   ! definitions of PM2.5 and PM10 used in GEOS-Chem:
   !
   ! http://wiki.geos.chem.org/Particulate_Matter_in_GEOS-Chem
   !==============================================================

   ! Particulate matter < 2.5um [kg/m3]
   State_Chm%AerMass%PM25(I,J,L) = State_Chm%AerMass%NH4(I,J,L)        * SIA_GROWTH + &
                 State_Chm%AerMass%NIT(I,J,L)        * SIA_GROWTH + &
                 State_Chm%AerMass%SO4(I,J,L)        * SIA_GROWTH + &
                 State_Chm%AerMass%HMS(I,J,L)        * SIA_GROWTH + &   ! (jmm, 06/30/18)
                 State_Chm%AerMass%BCPI(I,J,L)                    + &
                 State_Chm%AerMass%BCPO(I,J,L)                    + &
                 State_Chm%AerMass%OCPO(I,J,L)                    + &
                 State_Chm%AerMass%SALA(I,J,L)       * SSA_GROWTH + &
                 SOILDUST(I,J,L,1)              + &
                 SOILDUST(I,J,L,2)              + &
                 SOILDUST(I,J,L,3)              + &
                 SOILDUST(I,J,L,4)              + &
                 SOILDUST(I,J,L,5) * 0.3_fp           ! + 30%  of DST2
   ! OCPI is not present in SVPOA simulation
   ! OCPO represents all POA intead (factor*POA)
   IF ( Is_OCPI ) THEN
      State_Chm%AerMass%PM25(I,J,L) = State_Chm%AerMass%PM25(I,J,L) + &
                                      State_Chm%AerMass%OCPI(I,J,L) * ORG_GROWTH
   ENDIF

   ! Include either simple SOA (default) or Complex SOA in
   ! PM2.5 calculation.  In simulations where both Simple SOA and
   ! Complex SOA species are carried (i.e. "benchmark"), then
   ! only the Simple SOA will be added to PM2.5 and PM10, in order
   ! to avoid double-counting. (bmy, 03 Nov 2021)
   IF ( Is_SimpleSOA ) THEN
      State_Chm%AerMass%PM25(I,J,L) = State_Chm%AerMass%PM25(I,J,L) + ( State_Chm%AerMass%SOAS(I,J,L) * ORG_GROWTH )

   ELSE IF ( Is_ComplexSOA ) THEN
      State_Chm%AerMass%PM25(I,J,L) = State_Chm%AerMass%PM25(I,J,L)                 + &
                    State_Chm%AerMass%TSOA(I,J,L)   * ORG_GROWTH  + &
                    State_Chm%AerMass%ASOA(I,J,L)   * ORG_GROWTH  + &
                    State_Chm%AerMass%ISOAAQ(I,J,L) * ORG_GROWTH        ! Includes SOAGX

      ! Need to add OPOA to PM2.5 for complexSOA_SVPOA simulations
      ! -- Maggie Marvin (15 Jul 2020)
      IF ( Is_OPOA ) THEN
         State_Chm%AerMass%PM25(I,J,L) = State_Chm%AerMass%PM25(I,J,L) + ( State_Chm%AerMass%OPOA(I,J,L) * ORG_GROWTH )
      ENDIF
   ENDIF

The text was updated successfully, but these errors were encountered:

jiemeiliu · 2024-12-12T12:05:01Z

I sincerely hope you can help with two questions:

The PM2.5 I got from the calculation according to SIA_GROWTH, ORG_GROWTH and SSA_GROWTH of 1.10, 1.05 and 1.86 respectively has a maximum percentage difference of 6% with the variable PM25 in AerosolMass.
I did a unit conversion of SO4, NIT, and NH4 in SpeciesCon and compared it with SO4, NIT, and NH4 in AerosolMass, and I found that the maximum percent difference of regional average is 11%, but from a single grid, the maximum percent difference can reach 99%. I would be grateful if you could help me understand why the difference is so large. I'm trying to understand this because I want to calculate the SIA, which if I understand correctly should be the sum of SpeciesCon_SO4, SpeciesCon_NIT, SpeciesCon_NH4 right? And SOA is SpeciesCon_SOAS (for under simple SOA)

yantosca · 2024-12-12T14:33:40Z

Thanks for writing @jiemeiliu. As your question is more of a science question than a coding question, I would defer to the Aerosols Working Group. Tagging co-chairs: @beckyalexander @theloniuspunk @wporter

jiemeiliu · 2024-12-12T15:05:39Z

Thanks for writing @jiemeiliu. As your question is more of a science question than a coding question, I would defer to the Aerosols Working Group. Tagging co-chairs: @beckyalexander @theloniuspunk @wporter

Thank you @yantosca soy much for your response and help, and I sincerely look forward to hearing from the Aerosols Working Group.

theloniuspunk · 2024-12-12T19:54:45Z

Hi Mer,

Trying to understand the current problem. It looks like you've found the water mass factors for 35% RH from your first post. In the 2nd post, you identify that your offline-calculated PM2.5 is different from the AerosolMass diagnostic. It seems like you've traced this down to a difference in the SIA species between SpeciesCon and AerosolMass. Did you check to see if other aerosol species matched or were different? Do you know of the individual SO4, NIT, and NH4 species are each off by a fixed ratio (I wasn't sure if the percentages that you wrote were for the summed species or for them individually)?

Jeff

jiemeiliu · 2024-12-13T00:54:21Z

Hi Mer,

Trying to understand the current problem. It looks like you've found the water mass factors for 35% RH from your first post. In the 2nd post, you identify that your offline-calculated PM2.5 is different from the AerosolMass diagnostic. It seems like you've traced this down to a difference in the SIA species between SpeciesCon and AerosolMass. Did you check to see if other aerosol species matched or were different? Do you know of the individual SO4, NIT, and NH4 species are each off by a fixed ratio (I wasn't sure if the percentages that you wrote were for the summed species or for them individually)?

Jeff
Hi Jeff,

Thank you very much for your reply. I checked individual other species, including INDIVIDUAL SO4, NIT, and NH4 species. and found that the concentrations of individual species also differed from the corresponding species concentrations in AerosolMass. I calculated the percent difference in SO4 using (SpeciesCon_SO4 - AerosolMass_SO4)/SpeciesCon_SO4. Looking at individual grids, the differences ranged from 30% to 43%, but the spatial mean of the percent difference was 0. Before calculating using the above equation, I had converted the units of SpeciesCon_SO4 to µg/m³.

Following the same method, I calculated the percent difference for NH4 and NIT separately. From the individual grids, the NH4 variance ranged from 30% to 99%, and the spatial mean of the percent variance was 11%. The NIT variance ranged from 52% to 96%, and the spatial mean of the percent variance was 5%.

To make it easier for you to understand, I have attached the code for the species calculation process, and the results obtained from the calculation.

I sincerely look forward to your reply. I would like to thank you again for your help.

verify_species_v14.txt

Best wishes,
Mer

theloniuspunk · 2024-12-13T02:41:47Z

Hi Mer,

Are you certain that SpeciesCon and AerosolMass are being outputted at the time frequency? Also, SpeciesCon is usually an average of the time period. I'm not sure if AerosolMass is an average value or instantaneous value by default.

Jeff

jiemeiliu · 2024-12-13T05:04:50Z

Hi Mer,

Are you certain that SpeciesCon and AerosolMass are being outputted at the time frequency? Also, SpeciesCon is usually an average of the time period. I'm not sure if AerosolMass is an average value or instantaneous value by default.

Jeff

Hi Jeff,

My SpeciesConc, AerosolMass and StateMet are all output as time-averaged. Do you mean that the reason for the misalignment could be a problem with the setup of the averaging method for the collections? I should be outputting SpeciesConc, AerosolMass and StateMet as instantaneous, am I right?

Best wishes,
Mer

jiemeiliu · 2024-12-13T07:48:25Z

Hi Mer,

Are you certain that SpeciesCon and AerosolMass are being outputted at the time frequency? Also, SpeciesCon is usually an average of the time period. I'm not sure if AerosolMass is an average value or instantaneous value by default.

Jeff

Hi Jeff,

I have calculated the concentrations of each component again based on the simulation results of the instantaneous method, and again there is an inconsistency, please see the results below. Also I have posted the GC input file for your review. The percent difference is still very obvious. the percent difference between SpeciesConc_PM2.5 and AerosolMass_PM2.5 ranges from -12% to 11%, with the absolute value of the percent difference exceeding 10% at 4 of the grid points.

The percent difference between SpeciesConc_BC and AerosolMass_BC is -29% to 42%, with 1,752 grid points where the absolute value of the percent difference exceeds 10%.
The percent difference between SpeciesConc_SO4 and AerosolMass_SO4 ranges from -28% to 42%, with 1,669 grid points where the absolute value of the percent difference exceeds 10%.
The percent difference between SpeciesConc_NH4 and AerosolMass_NH4 is -86% to 100%, with the absolute value of the percent difference exceeding 10% at 5012 grid points.
The percent difference between SpeciesConc_NIT and AerosolMass_NIT is -845% to 100%, with 5558 grid points where the absolute value of the percent difference exceeds 10%.

Do you know which part is wrong? I would appreciate if you could remind me.

The results are as follows:
diff_pm25_perc_max = 0.11
diff_pm25_perc_min = -0.12
diff_pm25_perc_mean = 0.00

diff_BC_perc_max = 0.42
diff_BC_perc_min = -0.29
diff_BC_perc_mean = -0.01

diff_SO4_perc_max = 0.42
diff_SO4_perc_min = -0.28
diff_SO4_perc_mean = -0.00

diff_NH4_perc_max = 1.00
diff_NH4_perc_min = -0.86
diff_NH4_perc_mean = 0.14

diff_NIT_perc_max = 1.00
diff_NIT_perc_min = -8.45
diff_NIT_perc_mean = 0.07

number of abs(diff_pm25_perc) > 0.1: 4
number of abs(diff_bc_perc) > 0.1: 1752
number of abs(diff_SO4_perc) > 0.1: 1669
number of abs(diff_NH4_perc) > 0.1: 5012
number of abs(diff_NIT_perc) > 0.1: 5558

geoschem_config.txt
HEMCO_Config.txt
HEMCO_Diagn.txt
HISTORY.txt

Sincerely look forward to your response!
Best wishes,
Mer

theloniuspunk · 2024-12-13T13:15:21Z

Hi Mer,

Either averaged or instantaneous should match so long as they are consistent across the two diagnostics. I think we'll need GCST help here (@yantosca ). I haven't ran the model myself much in the past decade (this seems to be what happens to many professors).

The only other thing I can think of is: are you using the instantaneous pressure and temperature when doing the units conversions of SpeciesConc? I can't remember if the mass concentrations from Aerosol Mass are at the instantaneous P and T for each gridbox or STP conditions.

jiemeiliu · 2024-12-13T14:25:45Z

Hi Mer,

Either averaged or instantaneous should match so long as they are consistent across the two diagnostics. I think we'll need GCST help here (@yantosca ). I haven't ran the model myself much in the past decade (this seems to be what happens to many professors).

The only other thing I can think of is: are you using the instantaneous pressure and temperature when doing the units conversions of SpeciesConc? I can't remember if the mass concentrations from Aerosol Mass are at the instantaneous P and T for each gridbox or STP conditions.

Hi Jeff,

Thank you so much for the positive response.

Yes, I used the instantaneous pressure and temperature when doing the units conversions of SpeciesConc.

theloniuspunk · 2024-12-13T14:38:03Z

Hmm... Maybe try using STP values for the conversion? Might need to try a few different temperatures.

…

On Fri, Dec 13, 2024, 7:26 AM Mer ***@***.***> wrote: Hi Mer, Either averaged or instantaneous should match so long as they are consistent across the two diagnostics. I think we'll need GCST help here ( @yantosca <https://github.com/yantosca> ). I haven't ran the model myself much in the past decade (this seems to be what happens to many professors). The only other thing I can think of is: are you using the instantaneous pressure and temperature when doing the units conversions of SpeciesConc? I can't remember if the mass concentrations from Aerosol Mass are at the instantaneous P and T for each gridbox or STP conditions. Hi Jeff, Thank you so much for the positive response. Yes, I used the instantaneous pressure and temperature when doing the units conversions of SpeciesConc. — Reply to this email directly, view it on GitHub <#2632 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AQBKQDRUW3J3LPUBFOYYTST2FLVABAVCNFSM6AAAAABTPLAWIWVHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMZDKNBRGU3TKNZXGE> . You are receiving this because you were mentioned.Message ID: ***@***.***>

jiemeiliu · 2024-12-13T15:00:13Z

Hmm... Maybe try using STP values for the conversion? Might need to try a few different temperatures.
…
On Fri, Dec 13, 2024, 7:26 AM Mer @.> wrote: Hi Mer, Either averaged or instantaneous should match so long as they are consistent across the two diagnostics. I think we'll need GCST help here ( @yantosca https://github.com/yantosca ). I haven't ran the model myself much in the past decade (this seems to be what happens to many professors). The only other thing I can think of is: are you using the instantaneous pressure and temperature when doing the units conversions of SpeciesConc? I can't remember if the mass concentrations from Aerosol Mass are at the instantaneous P and T for each gridbox or STP conditions. Hi Jeff, Thank you so much for the positive response. Yes, I used the instantaneous pressure and temperature when doing the units conversions of SpeciesConc. — Reply to this email directly, view it on GitHub <#2632 (comment)>, or unsubscribe https://github.com/notifications/unsubscribe-auth/AQBKQDRUW3J3LPUBFOYYTST2FLVABAVCNFSM6AAAAABTPLAWIWVHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMZDKNBRGU3TKNZXGE . You are receiving this because you were mentioned.Message ID: @.>

I will try different temperatures for unit conversion as you suggested and see if the results match. Thanks again for your suggestions.

jiemeiliu added the category: Question Further information is requested label Dec 12, 2024

yantosca added help needed: Request Input From Community We need GC community to provide a fix/update topic: Aerosols Related to aerosol species in GEOS-Chem labels Dec 12, 2024

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Values for growth factors #2632

Values for growth factors #2632

jiemeiliu commented Dec 12, 2024

jiemeiliu commented Dec 12, 2024

yantosca commented Dec 12, 2024

jiemeiliu commented Dec 12, 2024

theloniuspunk commented Dec 12, 2024

jiemeiliu commented Dec 13, 2024

theloniuspunk commented Dec 13, 2024

jiemeiliu commented Dec 13, 2024

jiemeiliu commented Dec 13, 2024

theloniuspunk commented Dec 13, 2024

jiemeiliu commented Dec 13, 2024

theloniuspunk commented Dec 13, 2024 via email

jiemeiliu commented Dec 13, 2024

Values for growth factors #2632

Values for growth factors #2632

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jiemeiliu commented Dec 12, 2024

Your name

Your affiliation

Please provide a clear and concise description of your question or discussion topic.

jiemeiliu commented Dec 12, 2024

yantosca commented Dec 12, 2024

jiemeiliu commented Dec 12, 2024

theloniuspunk commented Dec 12, 2024

jiemeiliu commented Dec 13, 2024

theloniuspunk commented Dec 13, 2024

jiemeiliu commented Dec 13, 2024

jiemeiliu commented Dec 13, 2024

The results are as follows: diff_pm25_perc_max = 0.11 diff_pm25_perc_min = -0.12 diff_pm25_perc_mean = 0.00

diff_BC_perc_max = 0.42 diff_BC_perc_min = -0.29 diff_BC_perc_mean = -0.01

diff_SO4_perc_max = 0.42 diff_SO4_perc_min = -0.28 diff_SO4_perc_mean = -0.00

diff_NH4_perc_max = 1.00 diff_NH4_perc_min = -0.86 diff_NH4_perc_mean = 0.14

diff_NIT_perc_max = 1.00 diff_NIT_perc_min = -8.45 diff_NIT_perc_mean = 0.07

theloniuspunk commented Dec 13, 2024

jiemeiliu commented Dec 13, 2024

theloniuspunk commented Dec 13, 2024 via email

jiemeiliu commented Dec 13, 2024

The results are as follows:
diff_pm25_perc_max = 0.11
diff_pm25_perc_min = -0.12
diff_pm25_perc_mean = 0.00

diff_BC_perc_max = 0.42
diff_BC_perc_min = -0.29
diff_BC_perc_mean = -0.01

diff_SO4_perc_max = 0.42
diff_SO4_perc_min = -0.28
diff_SO4_perc_mean = -0.00

diff_NH4_perc_max = 1.00
diff_NH4_perc_min = -0.86
diff_NH4_perc_mean = 0.14

diff_NIT_perc_max = 1.00
diff_NIT_perc_min = -8.45
diff_NIT_perc_mean = 0.07