Table of Contents - The Atmospheric Studies Group at TRC

Table of Contents - The Atmospheric Studies Group at TRC Table of Contents - The Atmospheric Studies Group at TRC

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Section 9: CALPUFF 1 IBYEAR integer Beginning year for which data in this set is valid (YYYY) 2 IBJUL integer Beginning Julian day for which data in this set is valid (JJJ) 3 IBHOUR Integer Beginning hour for which data in this set is valid (HH) 4 IBSEC Integer Beginning second for which data in this set is valid (SSSS) 5 IEYEAR integer Ending year for which data in this set is valid (YYYY) 6 IEJUL integer Ending Julian day for which data in this set is valid (JJJ) 7 IEHOUR Integer Ending hour for which data in this set is valid (HH) 8 IESEC Integer Ending second for which data in this set is valid (SSSS) Next "NSTA" OZCONC real array Ozone concentration (ppb) at each ozone station (in the same order as the station coordinates in the time-invariant records; missing value indicator is 9999.) 9.10 User-Specified Chemical Transformation Rate Data File (CHEM.DAT) If chemical conversion is to be considered by CALPUFF, the user must specify a variable in the control file, MCHEM, which determines how chemical transformation rates are computed. The options for MCHEM are: 0 = chemical transformation is not modeled 1 = the MESOPUFF II chemical scheme is used to compute transformation rates 2 = user-specified 24-hour cycles of transformation rates are used 3 = the RIVAD/ARM3 chemical scheme is used to compute transformation If MCHEM is set equal to 2, CALPUFF reads a formatted user-prepared data file with 24-hour diurnal cycles of transformation rates k 1 , k 2 , k 3 . The nature of the equilibrium relationship assumed between pollutants 4 and 5 (e.g., HNO 3 and NO − 3) precludes the use of a user-specified conversion rate between these pollutants. If NO 3 is being modeled, the NH 4 NO 3 dissociation constant is determined as a function of temperature and relative humidity. A sample user-specified CHEM.DAT file is shown in Table 9-39. The CHEM.DAT file uses a control file format (see Section 9.1). All text outside the delimiters (!) is considered as user comment information and is echoed back but otherwise ignored by the input module. Each data line consists of a delimiter followed by the species name, 24 conversion rates, and a terminating delimiter. The data may extend over more than one line. The line being continued must end with a comma. The control file format allows the use of repetition factors (e.g., 3 * 1.0 instead of 1.0, 1.0, 1.0). The order in which the species are entered in the file is not important. However, the file must end with an input group terminator (i.e., !END). 9-218

Section 9: CALPUFF The model checks that the proper number of values have been entered for each conversion rate. An error message is printed and execution of the run is terminated if any values are missing. The run will also terminate with an error message from the input routine if too many values are entered (i.e., more than 24 values). 9-219

Section 9: CALPUFF<br />

1 IBYEAR integer Beginning year for which d<strong>at</strong>a in this set is valid (YYYY)<br />

2 IBJUL integer Beginning Julian day for which d<strong>at</strong>a in this set is valid (JJJ)<br />

3 IBHOUR Integer Beginning hour for which d<strong>at</strong>a in this set is valid (HH)<br />

4 IBSEC Integer Beginning second for which d<strong>at</strong>a in this set is valid (SSSS)<br />

5 IEYEAR integer Ending year for which d<strong>at</strong>a in this set is valid (YYYY)<br />

6 IEJUL integer Ending Julian day for which d<strong>at</strong>a in this set is valid (JJJ)<br />

7 IEHOUR Integer Ending hour for which d<strong>at</strong>a in this set is valid (HH)<br />

8 IESEC Integer Ending second for which d<strong>at</strong>a in this set is valid (SSSS)<br />

Next "NSTA" OZCONC real array Ozone concentr<strong>at</strong>ion (ppb) <strong>at</strong> each ozone st<strong>at</strong>ion (in the<br />

same order as the st<strong>at</strong>ion coordin<strong>at</strong>es in the time-invariant<br />

records; missing value indic<strong>at</strong>or is 9999.)<br />

9.10 User-Specified Chemical Transform<strong>at</strong>ion R<strong>at</strong>e D<strong>at</strong>a File (CHEM.DAT)<br />

If chemical conversion is to be considered by CALPUFF, the user must specify a variable in the control<br />

file, MCHEM, which determines how chemical transform<strong>at</strong>ion r<strong>at</strong>es are computed. <strong>The</strong> options for<br />

MCHEM are:<br />

0 = chemical transform<strong>at</strong>ion is not modeled<br />

1 = the MESOPUFF II chemical scheme is used to compute transform<strong>at</strong>ion r<strong>at</strong>es<br />

2 = user-specified 24-hour cycles <strong>of</strong> transform<strong>at</strong>ion r<strong>at</strong>es are used<br />

3 = the RIVAD/ARM3 chemical scheme is used to compute transform<strong>at</strong>ion<br />

If MCHEM is set equal to 2, CALPUFF reads a form<strong>at</strong>ted user-prepared d<strong>at</strong>a file with 24-hour diurnal<br />

cycles <strong>of</strong> transform<strong>at</strong>ion r<strong>at</strong>es k 1 , k 2 , k 3 . <strong>The</strong> n<strong>at</strong>ure <strong>of</strong> the equilibrium rel<strong>at</strong>ionship assumed between<br />

pollutants 4 and 5 (e.g., HNO 3 and NO − 3) precludes the use <strong>of</strong> a user-specified conversion r<strong>at</strong>e between<br />

these pollutants. If NO 3 is being modeled, the NH 4 NO 3 dissoci<strong>at</strong>ion constant is determined as a function<br />

<strong>of</strong> temper<strong>at</strong>ure and rel<strong>at</strong>ive humidity.<br />

A sample user-specified CHEM.DAT file is shown in <strong>Table</strong> 9-39. <strong>The</strong> CHEM.DAT file uses a control<br />

file form<strong>at</strong> (see Section 9.1). All text outside the delimiters (!) is considered as user comment inform<strong>at</strong>ion<br />

and is echoed back but otherwise ignored by the input module. Each d<strong>at</strong>a line consists <strong>of</strong> a delimiter<br />

followed by the species name, 24 conversion r<strong>at</strong>es, and a termin<strong>at</strong>ing delimiter. <strong>The</strong> d<strong>at</strong>a may extend<br />

over more than one line. <strong>The</strong> line being continued must end with a comma. <strong>The</strong> control file form<strong>at</strong><br />

allows the use <strong>of</strong> repetition factors (e.g., 3 * 1.0 instead <strong>of</strong> 1.0, 1.0, 1.0). <strong>The</strong> order in which the species<br />

are entered in the file is not important. However, the file must end with an input group termin<strong>at</strong>or (i.e.,<br />

!END).<br />

9-218

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