NARE 7 September 1993 case STUDY

 

Part 3. NARE 7 September 1993. The purpose of Part 3 is to compare model results with observations.  The case chosen is the NARE 7 September 1993 intensive investigation over the Bay of Fundy in the Gulf of Maine.  A description of the meteorology and chemistry for this case can be found here.

 

Simulation. Observations of stratus cloud and chemical/aerosol constituents were made from the 4-7 September 1993 over the Bay of Fundy.  There is sufficient independent data for initialization and model evaluation.

Two scales of models could be used to simulate this case.  Cloud-scale models can be used to simulate the stratus deck and obtain detailed information on the chemical and aerosol characteristics of the boundary layer.  Regional or large scale models can be used to assess the importance of transported chemical species and aerosols to the region.

We are focusing on the cloud scale, but still encourage regional scale simulations.  If you plan to perform a regional scale simulation, please email barthm@ucar.edu.

We are approaching this case with fewer restrictions.  That is, we will provide values for initialization and model evaluation, but the modeler may determine what type of model to use for including the chemical mechanism, cloud microphysics, etc.  It would be best to have a comparison of models that have been used as tools in refereed journal articles

 

Cloud-scale Initialization:

Location: approximately 44N, 66W

The sounding is taken from the September 7 radiosonde near Yarmouth, Nova Scotia at 1115 UTC.

The thermodynamic sounding is available in PC or UNIX format.

The original data have been interpolated to a 25 m vertical resolution. If you wish to have the original sounding data, please contact me (barthm@ucar.edu).

The surface fluxes and large-scale subsidence control the growth of the boundary layer. These are some values used in a preliminary simulation. Feel free to adjust these numbers.

Surface fluxes:

sensible heat flux:
latent heat flux:
or qv flux:

 

0.0
500. W/m
2
2.e-4 kg/kg m/s

Large-scale subsidence:

30.e-6 /sec divergence with a pbl height of 600 m

 

Chemical Species:

Initialization of chemical species is based upon two profiles obtained by the NRCC Twin Otter from 1545-1630 and 1640-1650 UTC 7 September 1993.  These measurements, which include O3, H2O2, NOy, SO2, and CO, have been binned into 25 m altitude bins to match the heights given above.  The SO2 and H2O2 instruments have a relatively slow response.  The data have been adjusted in a simple way for the lag and response delay of these instruments.  As a consequence, the location of the pollution layers and boundary layer height may not be well-defined by these measurements.  This may lead to some further adjustment of these profiles, especially for the location of the cloud and SO2  plume.  In addition the covariance of SO2 and H2O2 with other variables may not be great.

The detection limit for SO2 and H2O2 is 0.1 ppbv.  For values listed that are less than 0.1 ppbv, either set the value to the detection limit or set it to zero.

The chemistry sounding is available in PC and UNIX format.

Figures of NOy, SO2, H2O2, O3, and CO can be viewed HERE.

If you would prefer to obtain the 1 second data, go to the NARE homepage at http://www1.tor.ec.gc.ca/armp/NARE/NARE.html. Click on NARE Flight Data (after scrolling down a bit).  Then after scrolling down about 2/3 of the way, click on NAREflt.45.txt.  This file contains many other meteorological and aerosol variables that may be of use.

For species that are not listed above, do the following:

Set:

CH4 = 1700 ppbv everywhere
CH
3OOH = 0.1 * H2O2 (based on Weinstein-Lloyd et al, 1996)
CH
2O = 1.5 ppbv everywhere (based on measurements from BNL)
HCOOH  = 0.0

 

At the surface, NOx = 100 pptv (Wang et al, 1996) thus let NO = 20. pptv and NO2 = 80. pptv at the surface. Maintain the same NOx/NOy ratio (0.1/4.13) with height, for initialization purposes. Then partition NO and NO2 according to the photostationary state.

If you are not predicting PAN, set HNO3 = NOy - NOx

If you are predicting PAN concentrations, partition NOz (= NOy - NOx) to be 60% HNO3 and 40% PAN.

Set CO2 = 355. ppmv everywhere.

NH3 = 100 pptv at the surface; scale with the NOy profile, but with a maximum NH3 mixing ratio of 200 pptv.

SO42- is calculated from PCASP channel 7 data during the same profile as the chemical data. The calculation of SO42- from PCASP channel 7 (PC7) is a polynomial fit derived by Richard Leaitch:

SO42- = 3.25e-9 (PC7)4 - 2.94e-6 (PC7)3 + 8.01e-4 (PC7)2 + 4.45E-03 (PC7)

where SO42- is in units of mg/m3, PC7 per cubic centimeter, and negative values are set to zero. The conversion from mg/m3 to ppbv is:

SO42-(ppbv) = SO42-(mg/m3) * 28.97/96. / rhoair(kg/m3)

In cloud the SO42- in cloud water has been converted to an equivalent amount in air.  This number could be in error due to production of SO42- from aqueous SO2.

The results are in the sulfate sounding in PC and UNIX format.

If you are simulating hydrocarbons, please see Kleinman et al (1996).

 

Initial Aerosol size distribution:

Number, surface and volume size distributions are shown for two heights: below cloud (265 m) and just below cloud base (400 m). In addition, values of liquid water content and droplet number binned into 25 m altitude levels are provided as a function of height. There is much more variation of these variables as seen in the one-second data.

 

Photolysis rates:

Calculate the rates for (44N, 66W) midday conditions. (Assuming that your cloud-scale integration lasts for just a few hours.). Suggested values:

O3 + hv --> O1D + O2                          

3.41e-6  /sec

H2O2 + hv --> 2 OH                           

2.19e-6

NO2 + hv --> NO + O                        

3.65e-3

CH2O + hv --> 2 HO2 + CO               

7.84e-6

CH2O + hv --> H2 + CO                     

1.48e-5

CH3OOH + hv --> CH2O + HO2 + OH

1.66e-6

HNO3 + hv --> NO2 + OH                  

1.25e-7

 

Simulations:

 

1) gas and aqueous phase chemistry turned on
2) only gas phase chemistry turned on (no aqueous chemistry)

 

Discussion topics:

 

1) O3 production, including the effect of photolysis rates modified by the cloud.
2) SO
42- production.
3) What kind of measurements need to be taken to understand cloud chemistry better?

 

Model Results:

 

Model results will be compared with the 1835-2025 UTC  7 September measurements (flight 46 of the Twin Otter).  Please provide the following from the model time that you feel best matches the observations:

For 2-D and 3-D simulations, horizontally average the model results over the model domain to obtain vertical profiles of:

 

T (K), temperature
Theta
q (K), conservative potential temperature
LWC (g/m
3), liquid water content
N
d (cm-3), number of cloud drops
SO
2 (ppbv)
NO
y (ppbv)
O
3 (ppbv)
H
2O2 (ppbv)
CH
2O (ppbv)
aerosol size distribution below cloud
aerosol size distribution in cloud
cloud drop size distribution in cloud

 

Also provide:
Aqueous phase anions and cations averaged between 740 and 780 m altitude (or provide vertical profiles).

Interstitial values averaged between 740 and 780 m altitude (or provide vertical profiles) for O3, H2O2, SO2, Np (interstitial aerosol number), LWC, Nd