EPA/600/B-18/010
GC SOLAR
GCSOLAR.NET
User's Manual
Calculating Photolysis Rate Constants of
Contaminants in Water
Version 1.0
January 2018
U.S. Environmental Protection Agency
Office of Research and Development
National Exposure Research Laboratory
Computational Exposure Division and Exposure Measurement and Modeling Division
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Contact Information
Questions concerning this document or its application should be addressed to:
Richard Zepp, Ph.D.
Senior Research Scientist
U.S. Environmental Protection Agency
Office of Research and Development
Exposure Measurement and Modeling Division
960 College Station Road
Athens, GA 30605
706-355-8177
Zepp.Richard@epa.gov
-OR-
Rajbir Parmar
Computer Scientist
United States Environmental Protection Agency
Office of Research and Development
Computational Exposure Division
Watershed Exposure Branch
960 College Station Road
Athens, GA 30605
(706)355-8306
Parmar.Raibir@epa.gov
Disclaimer
This document has been reviewed in accordance with the U.S. Environmental Protection
Agency's peer and administrative review policies and has been approved for publication.
Approval does not signify that the contents necessarily reflect the views and policies of the
Agency, nor does the mention of trade names or commercial products constitute endorsement or
recommendation for use.
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Table of Contents
1.0 Introduction 1
2.0 User Guide by Module 3
2.1 View Current Values of all of the Parameters Associated with the Simulation 4
2.2 Modify Values of Parameters Associated with Simulations 6
2.2.1 Edit Table 1 Form 10
2.2.2 Enter Absorption Form 12
2.3 Compute Direct Photolysis Rate Constants as a Function of Time-of-Day 14
3.0 Sample Session 18
3.1 PART I: Basic Modifications 18
3.2 PART II: Changing Elevation and Ozone 21
3.3 PART III: Changing Latitude, and Season, and Contaminant Absorption 24
3.4 PART IV: Non-default Ephemeride and Ozone Values 28
3.5 PART V: Changing Depth Parameters 30
3.6 PART VI: Changing Depth Point 34
Appendix I: Default Values A-l
Table of Figures
Figure 1. The launch window has been divided into Section A, the radio buttons; Section B, the Proceed
and Close buttons; and Section C, a link to this User Guide 3
Figure 2. The View Current Values window has been divided into Section A for parameters with a single
value, such as water type; Section Bfor a table of wavelengths, water absorption coefficients,
and contaminant absorption coefficients; and Section Cfor buttons to plot, run the simulation
or close the current window and return to the launch window 4
Figure 3. This Water Absorption Coefficient plot is based on the default GCSolar.NETparameter values.. 5
Figure 4. This Contaminant Absorption Coefficient plot is based on the default GCSolar.NETparameter
values 6
Figure 5. The Modify Parameters window allows edits to contaminant-specific information (Section A),
ephemeride values (Section B), depth-related parameters values (Section C), miscellaneous
parameters values (Section D), and control buttons (Section E) 7
Figure 6. The Modify Parameter values window, Section B, shown first in the "Yes" configuration (top),
then the "No" configuration (bottom) 8
Figure 7. This window allows the user to enter absorption coefficients for a range of wavelengths and
choose the type of water body (Section A), provides instructions for how to enter valid data sets
(Section B), and allows the user to close the Edit Table pop-up (Section C) 11
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Figure 8. This window allows the user to edit or import values for wavelengths, water absorption
coefficients, and chemical absorption coefficients 12
Figure 9. If an invalid value such as a zero or negative number is entered, the form will display a red error
icon to the left of the row being edited and no other cell can be selected until a valid value is
entered. Water absorptions cannot be edited because pure water has been selected, so default
values will be used 13
Figure 10. This window allows the user to view (Section A) and plot (Section B) the outputs of the
GCSolar.NETphotolysis model, or close this pop-up window. The user can view (Section D) and
plot (Section E) the ka-lamda values. Section C allows the user to plot multiple rate constants on
the same graph 14
Figure 11. Multiple Rate Constant plots for multiple depths (top) and multiple latitudes (bottom) 16
Figure 12. The Modify Values module shown with the changes made in Part I of this walkthrough 18
Figure 13. The model output shown with the changes made in Part I of this walkthrough 20
Figure 14. The Time of day vs. Photolysis Rate Constant plot as generated in Part 1 21
Figure 15. The Time of day vs. Photolysis Rate Constant plot as generated by changing Ozone Layer
Thickness to 0.200 23
Figure 16. Comparison of Photolysis Rate Constants for Ozone Thicknesses of 0.3 cm and 0.2 cm (graph
generated in Microsoft Excel using GCSolar output data) 23
Figure 17. The Multiple Plots tool showing multiple latitudes with the changes made during Part III of this
walkthrough 28
Figure 18. The Modify Values module shown with "No" selected for typical ephemeride values. Note the
change in what input fields are available under ephemeride values section 29
Figure 19. The Multiple Plots tool showing multiple depths with the changes made during Part V of this
walkthrough 34
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1.0 Introduction
The GCSolar.NET computer application contains a set of routines that computes direct
photolysis rate constants and half-lives of chemical and biological contaminants in the aquatic
environment. The half-lives are calculated as a function of season, latitude, time-of-day, depth in
water bodies, and atmospheric ozone layer thickness.
A graphical user interface (GUI) was developed to facilitate data entry by the user and to
make the application interactive. Inputs to the GUI are made via controls such as text boxes,
check boxes, drop-down menus, radio buttons, and buttons.
In the case of chemical contaminants, the rates of direct photolysis are computed using
simulated solar irradiance values expressed in photon-based units and contaminant quantum
yields that are assumed to be wavelength-independent. The contaminants have well-defined UV-
visible absorption spectra that are used to compute rate constants for light absorption. A
discussion of the chemistry associated with this chemical contaminant application can be found
in the following publication:
"Rates of Direct Photolysis in Aquatic Environment," R.G. Zepp and D.M. Cline,
Environmental Science and Technology, 11(4), pp. 359-366 (1977)
This approach used for chemical contaminants has been used to compute photoinactivation
rate constants of biological contaminants such as viruses and bacteria. However, the authors
found that quantum yields for the viruses were wavelength dependent and decreased with
increasing wavelength. Algorithms had to be developed to describe the apparent spectral
dependence. However, this approach, although experimentally time-consuming, possibly can be
used to obtain a first approximation of calculated rates for biological contaminants.
"A Modeling Approach to Estimate the Solar Disinfection of Viral Indicator
Organisms in Waste Stabilization Ponds and Surface Waters," T. Kohn,
M. J. Mattle, M. Minella and D. Vione, Water Research, 88, pp. 912-922
(2016)
An earlier paper, which provided detailed approaches for computing the depth dependence
for photoreaction rate constants, introduced approaches for calculating photolysis rates of
substances that are complex mixtures of natural organic matter (NOM).
"Determination of Apparent Quantum Yield Spectra for the Formation of
Biologically Labile Photoproducts," W.L. Miller, M. Moran, W.M.
Sheldon, R.G. Zepp, and S. Opsahl, Limnology and Oceanography,47(2),
pp. 343-352 (2002)
The NOM is made up of mixtures of light-absorbing chromophores and consequently
quantum yields of photoproducts are wavelength-dependent. Calculations of the photoreaction
rates of these complex mixtures take into account wavelength dependent changes in the solar
irradiance that are calculated using the GCSolar.NET software but also consider wavelength-
dependent changes in the quantum yields. As data from Kohn et al. (2016) and other results have
indicated, similar approaches that account for wavelength dependence of quantum yields are
required for computing photoinactivation rate constants of biological contaminants. This early
1
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work by Miller et al. (2002) defined a fruitful approach to estimating the wavelength dependence
of inactivation of biological contaminants. This approach was further developed in a recent
paper:
"Biological weighting functions for evaluating the role of sunlight-induced
inactivation of coliphages at selected beaches and nearby tributaries of the
Great Lakes", R. G. Zepp, M. Molina, K.Wong, O.Georgacopoulos, B.
Acrey, M. Cyterski, G. Whelan, R. Parmar. Under internal review.
This approach defines empirically derived biological weighting functions (BWFs) that
quantify wavelength effects on direct photoinactivation of coliphages. Plots of BWFs versus
wavelength are referred to as "action spectra." The BWFs are inputs to the GCSolar.NET model
in a similar fashion to inputs of molar absorption coefficients for the chemical contaminant
modeling. This approach has also been recently used to compute sunlight photoinactivation rate
constants of the fecal bacterial indicators, E. coli and enterococci:
"Modeling the Endogenous Sunlight Inactivation Rates of Laboratory Strain and
Wastewater E. coli and Enterococci Using Biological Weighting
Functions," A.I. Silverman, K.L. Nelson, Environmental Science and
Technology, 50(22), pp. 12292-12301 (2016)
The users of GCSolar.NET should be aware that the equations used to compute the
irradiance at the Earth's surface are most appropriate for terrestrial systems compared to marine
systems. For example, Baker et al. (1980) discuss key differences in parameters used in
GCSolar.NET and models used to accurately compute solar spectral irradiance at the surface of
the equatorial Pacific.
"Middle Ultraviolet Radiation Reaching the Ocean Surface," K.S. Baker, R.C.
Smith, and A.E.S. Green. Photochemistry and Photobiology, 32, 367-374
(1980).
Also, GCSolar.NET uses data for the absorption solar ultraviolet radiation by pure water
that are derived from studies of the "clearest natural waters" at the time the program was
developed. Since then, newer results have shown that solar ultraviolet radiation penetrates much
deeper than estimated by GCSolar.NET.
"Optical Properties of the "Clearest" Natural Waters," A. Morel, B. Gentili, H.
Claustre, M. Babin, A. Bricaud, J. Ras, and F. Tieche .Limnology and
oceanography 52(1), 217-229 (2007).
Chapter 2 provides an introduction to each component of GCSolar.NET, and Chapter 3
provides a walkthrough of using GCSolar.NET for a specific chemical scenario.
GCSolar.NET will need a computer running Microsoft Windows 10 with a .NET
framework version of 4.0.30319 or newer. It needs a minimum storage of 2.6 MB and a
minimum RAM of approximately 25 MB in addition to the operating system's RAM
requirements.
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2.0 User Guide by Module
The GCSolar.NET program will launch with the window shown in Figure 1, which allows the user to view,
manipulate, or run the GCSolar.NET modeling simulation for photolysis of contaminants in water, as well
as terminate the program. All user-modifiable variables are initialized with default values, provided in
Appendix 1. Note to the user: this guide focuses on chemical contaminants, but the same steps can be
used to compute values for biological contaminants. There are only two major differences. The first, and
most important, is that no default values are provided for a biological contaminant. The user will need
to input photolysis information either from experimental data or literature sources. This can be done in
the same manner as inputting new photolysis data for a chemical contaminant, described below. The
second difference is that instead of "Chemical Absorption Coefficient (L/(mole/cm))," biological
contaminants use "Biological Weighting Function (hrA(-l) WattsA(-l) cmA2 nm)." If the user is reading
this guide to use GCSolar.NET with a biological contaminant, simply keep these changes in mind.
Simulations of inactivation of biological contaminants are described in more detail in a recent
paper: "Biological weighting functions for evaluating the role of sunlight-induced inactivation of
coliphages at selected beaches and nearby tributaries of the Great Lakes", R. G. Zepp, M. Molina, K.
Wong, O. Georgacopoulos, B. Acrey, M. Cyterski, G. Whelan, R. Parmar". The paper is Under internal
review.
There are three main windows in GCSolar.NET:
• View Current Values
• Modify Values
• Compute Photolysis
b J Hon* Page
GCSolar Options
* View Current Values of all the Parameters Associated with the Simulation
Modify Values of Parameters Associat A Simulations
O Compute Direct Photolysis Rates as a Function of Time-of-Day
Proceed
rs
Ck>se
GCSolar User
le PDF Document
Figure 1. The launch window has been divided into Section A, the radio buttons; Section B, the Proceed
and Close buttons; and Section C, a link to this User Guide.
Each of these windows can be selected via the radio buttons in Figure 1, Section A. Use of
the radio buttons is discussed below, and each of these windows is discussed in detail in the
following sections of this user guide.
Only one of the radio buttons can be selected at a given time. By default, the first option,
View, is selected. To select a different option, click the corresponding radio button. Clicking a
radio button will not advance the program to another window.
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There are two buttons located at the bottom of this form in Section B, Proceed and Close.
Proceed! opens the next window.
Close) will exit the GCSolar.NET program.
Section C will open this User Guide.
Click [Proceed! to open the selected window.
2.1 View Current Values of all of the Parameters Associated with the Simulation
This window, shown in
Figure 2, displays all user-
editable values for the
simulation.
Note: Values are not editable in this window. To edit, select
the Close button and choose the "Modify " module instead,
which is discussed in detail in 2.2, "Modify Values of
Parameters Associated with Simulations. "
•J liitform
1 a E
8
General In formation
Contaminant Name Melhoxyclor
Water Type Name WaterBodyt
Initial Deplh: 0 001 cm Quantum Yte)d 0 M
Depth Increment 10 cm ElevaUpn 0 km
Type of Atmosphere Terrestrial
Final Depth 5 cm Seajpre): Spring
Longitude 83 2
Depth Point: None #™\
l.atilude(s) 40
Retractive Index 1.34
Wavelength (nm)
Water Absorption Coefficients
Chemical Absorption Coefficients |L/{mole cm))
11 KBQ30
'10000
0«1000
4 670000
iMZ50
0.057000
19C0GCO
105 00
I0053CO0
1 1COOOO
130750
OWSOOO
0900000
:310£»
0 045000
0530000
! 312.50
00*3000 ^J|
0330000
! 315 00
00*1000
0270000
1317 SO
0039000
oisaeco
;s2ooo
0 037000
0100000
132310 , 0 03500
oosoooo
; 33000
l&eam
0020000
Select absorption coefficients to plot
Water Absorption Coefficients
Hot Absorption Coefficients I Perform Time of Day Simulation Close
Figure 2. The View Current Values window has been divided into Section Afar parameters with a single
value, such as water type; Section B for a table of wavelengths, water absorption coefficients, and
contaminant absorption coefficients; and Section C for buttons to plot, run the simulation or close the
current window and return to the launch window.
Section A and Section B show the current values of parameters. Section C allows a choice
via the drop-down menu at the far left to plot either of the following:
• Water Absorption Coefficients, shown in Figure 3
• Contaminant Absorption Coefficients, shown in Figure 4
To create an absorption plot, select the desired absorption coefficients to plot from the
drop-down menu and click the |Plot Absorption Coefficients! button. As shown in Figures 3 and
4, this launches a new window with the absorption plot as well as buttons to Save Plot to File or
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Close. Clicking |Save Plot to Filq opens a standard Windows save dialogue by which the plot can
be saved as a Portable Network Graphics (.PNG) file. As it does throughout this program,
clicking |Close| closes the current window—in this case, the plot window—which leaves the
parent window—in this case, the window for View Current Parameter Values—open.
Section C also has two other buttons, the Perform Time of Day Simulation! button and the
Close button.
• Click Perform Time of Day Simulation! to run the model using current values of
parameters, covered in more detail in 2.3, "Compute Direct Photolysis Rates as a
Function of Time-of-Day."
• Click Close to close this window and return to the launch window. Note: this does
not exit the GCSolar.NETprogram.
¦ip FormPlotAbsorptions
Name of water body: WaterBodyl
— Absorptions vs Wavelengths
305.00 310.00 315.00
Wavelength (nm)
Save Plot to File
Figure 3. This Water Absorption Coefficient plot is based on the default GCSolar.NET parameter values.
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FormPlotAbsorptions
E
OJ
O 6-
Name of water body: WaterBodyl, Contaminant: Methoxyclor
310.00 315.00
Wavelength (nm)
- Absorptions vs Wavelengths
Figure 4. This Contaminant Absorption Coefficient plot is based on the default GCSolar.NET parameter
values.
2.2 Modify Values of Parameters Associated with Simulations
This window, shown in Figure 5, can be used to edit parameter values of the simulation.
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[ wj ChAn^Fem
Contaminant Wonnotsmi T . „ . _
T ype of Conlominorn
NwwafcontwiMstt ° Chwmcal Bioteg»al
Table 1 Wale* and contaminant absorption ceelfkierMs as a function of wavetotglhs
Wavelength (nrr»)
Water Absorption Coefficients )
Chemical Absorption Coefficients {L/fmota cm)}
11 100000
300,00
0 061000
4670000
302 50
0 057000 Jk
1 900000
305 00
0 053000 M\
1 100000
307 50
0049000 J \
OSOOOOO
310 00
0 045000 m *
0.530000
312 50
io.Q4aoaL
0330000
31500
0.041000
0 270000
31750
0 039000
0 IGOQOO
Seleel absorption coefficients to plot
Water Absorption Coefficients
Ptc* Absorption Cp«®Ci«rwi | Edit TeW* 1 [ Expwi Table 1
Espon CooiarmnsM Absorpbofi C<»«e>t>«s
Would k«u Ijfce typical nplNSflMmk *»!««'
Geographical Coordinates
Lang«turi»
Labiutfa
index
Seasons
> Spnog
Summer
Fall
B
Do ypu want to u»*> default a&antt taynr values?
Ye* » No
Atmosphcfic Oidos lajer [cm)
No of latitudes
EdttfAdd Latitudes
Depth Related Parameters
Initial Depth (on)
Firm! Depth (an)
Depth Increment (an)
Wa**l you Mce to use "Depth Point* Caleutelioos'
c
(yfaceteaaoua Parameters
QuafHum Yield of Contaminant
Refractive Index of Water
B
kka to compute Ka-Lambdas?
o No
E
Restore Default Values
Perloc m Time of Day Simulation
Save and Close
Figure 5. The Modify Parameters window allows edits to contaminant-specific in formation (Section A),
ephemeride values (Section B), depth-related parameters values (Section Cj. miscellaneous parameters
values (Section D), and control buttons (Section E).
Section A, Contaminant Information, includes the following:
• Name of Contaminant. The contaminant name can be a string or one or more
characters.
• Type of Contaminant. Choose chemical or biological using the radio buttons. A
chemical contaminant can either be: a) a chemical that is toxic to plants and/or
animal, and or human beings, or b) a non-toxic chemical whose persistence is of
interest in a body of water. A biological contaminant is a microorganism such as a
bacterium or virus that is: a) pathogenic to plants and/or animals and/or human
beings in a body of water, or b) a nonpathogenic proxy used as an indicator for a
pathogen contaminant. Chemical is selected by default. Note: Biological modeling
results have not been verified yet.
• Table: Wavelength, Water Absorption Coefficient, and Chemical Absorption
Coefficient. To edit or export this table, use the four related buttons.
o
o
Click |Edit Table l| to launch a new window to edit the table. See 2.2. i,
"Edit Table 1 Form "for a full description of the edit table window.
Click [Export Table jj to export the table to a comma-separated values
(CSV) file. A standard Windows "Save As" dialogue box will appear
allowing the user to choose a file name and location. Click the |Save| button
to save the file, or the iCancel] button to close the dialogue box without
saving the file.
o
The [Export Water Absorption Coefficients! button functions similarly to
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Export Table 1. except that it does not export the Chemical Absorption
Coefficients column (only Wavelengths and Water Absorption
Coefficients).
o
The [Export Contaminant Absorption Coefficients! button functions
similarly to Export Table 1, except that it does not export the Water
Absorption Coefficients column (only Wavelengths and Chemical
Absorption Coefficients).
Additionally, Contaminant Information contains a feature to plot the wavelength and
coefficient data in the table. As with the plotting feature on the View window, discussed in 2.1,
"View Current Values of all of the Parameters Associated with the Simulation," either Water
Absorption or Chemical Absorption can be plotted against wavelength; refer to 2.1 for a detailed
description as well as plots of the default parameter values data set.
Click the [Plot Absorption Coefficients button| to generate a plot.
Section B contains entries and selections related to geographical and ephemeride
coordinates, seasons, and ozone layer thickness. The first question in this section—"Would you
like typical ephemeride values?"—controls the rest of the section. Selecting "No" sets this
section to display different options than selecting "Yes," as is shown in Figure 6.
Would you like typical ephemeride values?
Geographical Coordinates
Longitude
Latitude
index
Latitude
140
Spong
Yes
Do you ward io um default ozorw Layer values?
Atmowphwic Ozone l«iw (cm)
No of latitude
Ed»t/Add Latitude*-.
Would you like typical ephemende values?
Geographical Coordinates
Longitude
Latitude
Degrees Unuin Second!
Solar Declination
N G-
Do you want to use deiaull o/onc layer values?
Atmospheric Ozone Layer (an)
Figure 6. The Modify Parameter values window. Section B, shown first in the "Yes" configuration (top),
then the "No " configuration (bottom).
• If the user selects "Yes," the window is broken into "Geographical Coordinates,"
"Seasons," and "Do you want to use default ozone layer values?" data input areas.
o Geographical Coordinates. This contains the two editable areas, Longitude
and Number of Latitudes, and one button, Edit/Add Latitudes. The table of
latitude indices and latitudes is not directly editable; these values can be
edited through the Edit/Add Latitudes button, discussed below.
¦ Longitude. Enter a longitude in degrees. Values must be between
-180 and 180.
¦ Number of latitudes. Enter the number of latitudes to be used for the
simulation. Values must be between 1 and 10; at least one latitude
must be entered. Latitudes must be less than 70 when using typical
ephemeride values. Once the number of latitudes has been entered.,
click the Edit/Add Latitudes button.
The [Edit/Add Latitudes] button brings up a new window to edit the
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table of latitude indices and latitudes. This table uses "Number of
latitudes" to determine how many rows to create. Values for Latitude
must be 0 or greater but less than 70 degrees. For detailed
instructions on editable tables in GCSolar.NET, see 2.2.2, "Enter
Absorption Form."
o Seasons. Seasons contains four check boxes, one for each season. By default,
"Spring" is checked. At least one season must be checked; up to four
seasons may be checked.
o Do you want to use default ozone layer values? If "Yes" is selected, no other
choices are available. If "No " is selected, a text box will appear for the user
to enter an atmospheric ozone layer thickness in centimeters (cm). Ozone
thickness can be any non-negative numeric value.
• If the user selects "No," then Section B is broken into a different "Geographical
Coordinates" subsection; a table for entering solar declination, right ascension, and
sidereal time; and the same "Do you want to use default ozone layer values?"
subsection.
o Geographical Coordinates. This contains two editable areas, longitude and
latitude, both in degrees. Longitude must be between -180 and 180, and
latitude must be between 0 and 70 (70 excluded).
o Solar Declination, Right Ascension, and Sidereal Time. These parameters
values are presented in tabular format, each having a row of three boxes for
entering degrees, minutes, and seconds, respectively. Degrees must be
between 0 and 90, and minutes and seconds must be between 0 and 60.
o Do you want to use default ozone layer values? If "Yes" is selected, no other
choices are available. If "No " is selected, a box will appear for the user to
enter an atmospheric ozone layer thickness in cm. Ozone thickness can be
any non-negative numeric value.
Section C contains Depth Related Parameters. All four parameters can be directly edited in
this window, have default values in gray text, and are in cm. Initial and final depth form the
outer bounds of depth for the model, depth increment sets the interval, and depth point is an
optional value which increases the layer thickness.
• Initial Depth. Enter the shallowest depth in cm that will be used in calculation of
photolysis rate constants. The default value is 0.001. This value must be greater
than 0.
• Final Depth. Enter the deepest depth that will be used in the calculation of
photolysis rate constants. The default value is 5 cm. This value must be greater than
the initial depth.
• Depth Increment. This parameter defines how finely or coarsely the simulation
calculates between the bounds of initial andfinal depth, i.e., for an increment of 1
and bounds of 1 and 3, the model will calculate depths of 1 cm, 2 cm, and 3 cm,
whereas for a depth increment of 2, it would calculate only 1 cm and 3 cm.
• Would you like to use "Depth Point" Calculations? If "yes " is selected, this option
computes the rate constant in a layer of thickness "delta depth " (cm) at a specified
9
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depth in a water body. Valid values are non-negative numbers. If "no " is selected,
which is the default, the field for inputting depth point will disappear.
n I) is Miscellaneous Parameters. This section has three editable values and one
yes/no radio button set. The editable values are Quantum Yield of Containment, Refractive
Index of Water, and Elevation. "Would you like to compute Ka-Lambdas?" is a yes/no radio
button.
• Quantum Yield of Containment. This parameter has no units and is set to a default
value of 0.32, which can be modified by the user. This value must be greater than
zero and less than or equal to 1. This value represents the number of destroyed
molecules divided by the number of photons absorbed by the system.
• Refractive Index of Water. This parameter has no units and is set to a default value
of 1.34, which can be modified by the user. This value must be greater than one and
less than four. This value represents the ratio of the speed of light in a vacuum to
the speed of light in water.
• Elevation. Measured as kilometers (km) above sea level, this parameter has a
default value of 0 km (sea level). This value can be modified by the user, and must
be non-negative.
• Would you like to compute Ka-Lambdas? If the "yes" button is selected, then ka-
lambdas will be calculated and included in GCSolar.NET's output. Ka-lambdas are
sunlight absorption rate constants for the contaminant as a function of wavelength.
"No " is the default.
Section E has four buttons: [Restore Default Values|, Perform Time of Day Simulation.
Save and Close, and Cancel
Clicking [Restore Default Values| resets all editable parameters to their default
values. If no errors occur, a pop-up box will appear to say, "Input parameters were
successfully set to their default values." Caution! This button will erase all
changes.
Click [Perform Time of Day Simulation! to run the model. See 2.3, "Compute Direct
Photolysis Rates as a Function of Time-of-Day" for more details. A pop-up will
inform the user that "Parameters were successfully updated."
Click |Save and Close| to save the currently entered parameter values and return to
the Launch window. A pop-up will inform the user, "Parameters were successfully
updated."
Click |Cancel| button to close the Modify Values window without saving currently
entered values and return to the Launch window. A pop-up will inform the user,
"Exiting without saving any new changes." Note: The window will also close if the
"X" button in the upper right of the form is clicked, as is standardfor Windows.
In this case, a pop-up will appear offering the user a chance to stay on the
window and saying: Warning! No changes will be saved Do you still want to
close this window?
2,2,1
This section describes the pop-up window (Figure 7) that appears after clicking the
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Edit Table l| button seen in Section A of Figure 5.
Set the simulation's minimum and maximum wavelengths in Section A of this window.
The default values are 297.5 and 330. Use only numerical characters (do not include the unit,
which is nanometers) and follow the rules listed in Section B. Next, select the type of Water
Body. By default, Natural Water is selected, and there is a space to enter the name of the water
body. A name must be entered. If Pure Water is selected the box for entering the name of the
water body disappears. Click the [Enter Absorption Data| button after entering values for the
minimum and maximum wavelengths and entering a name, if necessary, for the water body. This
will launch a new pop-up to edit the wavelengths in the range between the selected minimum
and maximum, covered in 2.2.2, "Enter Absorption Form."
a-" FormEntefWavelengths
Enter minimum and maximum wavelengths, select type of water body, and dick "Enter Absorption Data" button.
Minimum Wavelength (nm) Seleci Type of Water Body
» Pure Water N^ftral Water
Enter Absorption Data
Maximum Wavelength (nm)
Rules
1) Units of wavelengths must be in nm
2) Minimum wavelength must be less than the maximum wavelength
3) Allowed minimum and maximum wavelengths from the following
280.0, 282.5, 285.0, 287.5, 290 0, 292 5, 295.0,
297 5, 300 0, 302 5, 305 0, 307 5, 310 0, 312.5,
315 0, 317.5, 320 0, 323 1, 330 0, 340 0, 350 0, (-*
360 0, 370 0, 380.0, 390.0, 400 0, 410.0, 420.0, U
430 0, 440 0, 450 0, 460 0. 470 0, 480 0, 490 0, U
500 0, 525.0, 550 0, 575 0, 600 0, 625 0, 650.0,
675 0, 700.0, 750.0, 800 0
4) Wavelengths must be in ascending order
5) If pure water is chosen as the type of water body, pure water absorption coefficients will be used
6) Natural water means any water body that is not pure water
7) If natural water is chosen as the type of water body, a name for the water body must be entered
Cancel
Figure 7. This window allows the user to enter absorption coefficients for a range of wavelengths and
choose the type of water body (Section A), provides instructions for how to enter valid data sets (Section
B), and allows the user to close the Edit Table pop-up (Section C).
Wavelengths less than 297.5 have little effect under usual environmental conditions.
However, they are included in this modeling system because these wavelengths become very
important determinants of photolysis for parts of the Earth where the ozone layer is strongly
depleted.
11
-------
The valid wavelengths are:
280
297.5
315
360
430
500
675
282.5
300
317.5
370
440
525
700
285
302.5
320
380
450
550
750
287.5
305
323.1
390
460
575
800
290
307.5
330
400
470
600
292.5
310
340
410
480
625
295
312.5
350
420
490
650
Use the |Cancel| button in Section C to close this form and return to the Modify Values
window.
2.2.2 Enter Absorption Form
¦J FormAbiorpbom
a ©, 2
Edit table below or import desired water and contaminant absorption coefficients, and click OK
Wavelength (r*i»)
Water feMtpfaon CoeHkiertj
Chemical M*oi&>or\ Coeffoertj (L/^note cm))
0069000
11 100000
300.00
0061000
4670000
30250
0057000
1900000
30500
0053000
1 100000
307 50
0049000
0800000
31000
0045000
0530000
31250
0043000 m
0330000
31500
0041000 / \
0270000
31750
0039000 i 1
0160000
32000
0037000
0100000
32310
0035000
0060000
33000
0029000
0020000
Note the data to be imported must be in a CSV file
1 ieip Import Contaminant Ab|-^>trons
Vater Absorptions OK Cancel
Figure 8. This window allows the user to edit or import values for wavelengths, water absorption
coefficients, and chemical absorption coefficients.
Section A of Figure 8 is a table of wavelengths and their related water absorption
coefficients and chemical absorption coefficients. The range of wavelengths listed in this table is
determined by the previous window (Figure 7) and will be populated with default values for
water absorption and chemical absorption. Any cell in water absorption or chemical absorption
columns can be edited by clicking in the cell and entering a new value; wavelengths are not
editable. Alternately, a set of new values can be imported, as is described below. If an invalid
value is entered, a red error icon will appear to the left of the row being edited, as shown in
Figure 9, and the user will be unable to select another cell until the error is corrected. Invalid
values are: negative numbers, blanks, letters, or zeroes.
12
-------
FormAbsorptions
Edit table below or import desired water and contaminant absorption coefficients, and click OK.
Wavelength (nm) Water Absorption Coefficients (m**-1) Chemical Absorption Coefficients (L/(mole cm))
297.50
0.069000
-11
300.00
0.061000
4.670000
302.50
0.057000
1.900000
305.00
0.053000
1.100000
307.50
0.049000
0.800000
310.00
0.045000
0.530000
312.50
0.043000
0.330000
315.00
0.041000
0.270000
317.50
0.039000
0.160000
320.00
0.037000
0.100000
323.10
0.035000
0.060000
330.00
0.029000
0.020000
Note: the data to be imported must be in a CSV file.
Help Import All Data Import Contaminant Absorptions Import Water Absorptions OK Cancel
Figure 9. If an invalid value such as a zero or negative number is entered, the form will display a red
error icon to the left of the row being edited and no other cell can be selected until a valid value is
entered. Water absorptions cannot be edited because pure water has been selected, so default values will-
be used.
Section B of Figure 8 has six buttons.
• The |Help| button brings up a new window describing the data and assumptions. The
Help window can be closed by scrolling to the bottom of the Help window and
clicking the |Close| button.
• The [import All Data| button imports a set of wavelengths, water absorption
coefficients, and chemical absorption coefficients. The new data set must be in a
.CSV file format and will completely replace the existing values. Clicking this
button brings up a standard Windows dialogue box for opening a file. Navigate to
and select the file, then click the |Open| button to import the file or the |Cancel
button to close the dialogue box.
Note: To import values correctly, the CSV data must have column headers
identical to those seen in GCSolar.NET, e.g., the wavelength column must have
"Wavelength (nm) " in the first row.
The [import Contaminant Absorptions button imports a list of chemical absorption
coefficients. Like the [Import All Data
button, llmport Contaminant Absorptions
can accept a CSV file of values; the difference is that [Import Contaminant
Absorptionsl will import only wavelength and chemical absorption columns, and
use existing water absorption coefficients. Like llmport All Data|, the CSV file must
have headers identical to those in GCSolar.NET, and the chemical coefficients
must be paired with wavelengths.
The [Import Water Absorptionsl button is the counterpart to the [Import Contaminant
13
-------
Absorptions] button—it imports paired wavelengths and water absorption
coefficients from a CSV file with headers identical to the GCSolar.NET Table 1
columns.
The |0K| button saves the new values (a pop-up window will inform the user that
"Data were successfully updated") and closes both the Enter Absorption and Edit
Table 1 windows, returning the user to the Modify Parameters window shown in
Figure 5 with updated parameters.
• The |Cancel| button also returns the user to the Modify Parameters window, but
without having saved any edits.
2.3 Compute Direct Photolysis Rate Constants as a Function of Time-of-Day
This third and final module of GCSolar.NET runs the model. If no changes have been made
through the "Modify Values of Parameters Associated with Simulations" (Figure 5), this will be
run with default values of parameters. The model can be am via this command from the launch
window (Figure 1), or using the [Perform Time of Day Simulation! button available in either of
the previous two modules. The model will function the same way regardless of how it is reached,
excepting the ka-lamda table, which will not appear unless ka-lambdas were enabled in the
Modify Values window (the "Would you like to compute Ka-Lambdas?" control; see Section
2.2, Modify Values of Parameters Associated with Simulations).
lotlude Season
Sunny lone
SdorNMl
To*d Day hxnl
Rata Ccroant «mc**-1]
Haf ~**«)
SPRING
OKI
4 U
lOE-OO
rtrtr
'5.00
5*
2.461HE1#
»
SPRING
5.00
10CC&0C3
297,50
2945E-012
300.00
7078SO12
302 50
:
30500
123116411
A
307.i0
; 50086-011
1
3(0.00
9.4086-011
3
16196-010
31500
31116-010
3I7»
3 £716410
320 SO 3 5526-010
32310
4.0236410
Select Latitude Select Se
40 • Spring
Select Depth
- T O0OE-OO3
Select Solon
>*][5.oo
E
p
Plot Ka lambdas
Ctoso
Figure 10. This window allows the user to view (Section A) and plot (Section B) the outputs of the
14
-------
GCSolar.NET photolysis model, or close this pop-up window. The user can view (Section D) and plot
(Section E) the ka-lamda values. Section C allows the user to plot multiple rate constants on the same
graph.
Section A of Figure 10 is a table of values generated by the model based on the parameters
(either default or user-input). This table cannot be edited by the user. The columns are:
• Latitude. The latitudes are set in "Geographical Coordinates" on the Modify
Values window.
• Season. The seasons are selected under "Wouldyou like typical ephemeride
values? (Yes) " on the Modify Values window.
• Summary Items. Includes Depth (cm), Depth Point (cm), Average Rate
Constant(sec**-l), Integrated Rate Constant(day**-l), and Integrated Half-
Life (days). Displayed in the rows (i.e., one item per row) below the last row of
data. Depth and Depth Point are set by the user in previous windows or left at
default; Average Rate Constant, Integrated Rate Constant and Integrated Half-
Life are produced by the GCSolar.NET model.
• Solar Altitude, Time of Day (hours), Rate Constant (sec**-l), Half Life
(hours). These values are produced by the GCSolar.NETmodel based on the
parameters entered or default values.
Section IB of Figure 10 provides a variety of options for plotting the model output data
shown in Section A. There are five drop-down menus controlling what data is plotted, or four if
non-default ephemeride values were selected, and a button for generating the plot.
• Select Latitude. This drop-down menu will present all latitudes input under
"Geographical Coordinates " on the Modify Values window.
• Select Season. This drop-down menu will appear only if typical ephemeride
values were used. (Non-default ephemeride values do not present an option to
select a season.) If it is present, it will present all seasons selected on the
Modify Values window.
• Select Depth. This drop-down menu will present all depths analyzed in this
model run. This is determined by "Depth Related Parameters " on the Modify
Values window.
• Select X axis. This can be Time of Day (hours) or Solar Altitude.
• Select Y axis. This can be only Rate Constant (sec**-l).
Click the [Plot Rate Constantsl button to generate a plot with the selected
attributes.
• Click |Close| to close this window.
Section € is the "Select Multiple Plots Case" window, and allows multiple datasets to be
visualized together. Select one of the radio button options and click the Plot Multiple Rate
Constants button to launch a plot window, much like the Plot Rate Constants button in Section
B. Like with previously described plots, the plot window will have buttons to export the plot or
close the window. The two plotting options are:
• Selected Latitude and Season vs Depths. This will plot multiple depths for the
selected latitude and season, as shown in Figure 11.
15
-------
• Select Depth and Season vs Latitudes. This will plot multiple latitudes for the
selected depth and season, as shown in Figure 11.
** lo™Muttip*P1©tiTo«a
Methoxyclor Photolysis Rate Constants vs Time-of-Day; Latitude = 40, Season » Spring
r
«¦ 25E-G7-
A
v\
m
Pi
In!
m
N
f
I 1 Depth s
¦¦ Depth =
I I Depth ;
1 I Depth =
1 I Depth:
¦¦ Depth:
1 I Depth:
1 I Depth =
H Depth ;
I I Depth =
Depth:
1.000E-003 cm
1.000E+002 cm
2.000E+002 cm
3.000E+002 cm
4.000E+002 cm
5.000E+002 cm
6.000E+002 cm
7.000E+002 cm
8.000E+002 cm
9.000E+002 cm
1,000E+003cm
Time of day
Save Plot (o File
t-j forniMuft.pk-PkrtsT«l
Methoxyclor Photolysis Rate Constants vs Time-of-Oay: Depth ¦ 1.000E-003 cm, Season * Spring
r
25E-07 -
x
/
\\
//
\\\
!//
'///
\ s
4
J
¦¦ Latitude = 40 degrees north
Latitude = 45 degrees north
I I Latitude = 50 degrees north
Latitude = 55 degrees north
I I Latitude = 60 degrees north
Time of day
Save Plot lo File
Figure 11 .Multiple Rate Constant plots for multiple depths (top) and multiple latitudes (bottom).
Section D and Section E of Figure 10 are related to the ka-lambda values and as such will
appear on this window only if "Would you like to compute Ka-Lambdas?" is set to "Yes" on
the Modify Values window. If they are present, then Section C will present the ka-lambda values
and Section D will provide plotting controls similar to Sections A and B above.
Section C is a table of ka-lambda and associated values that cannot be edited by the user
with the following columns:
• Latitude. The latitudes are set in "Geographical Coordinates" on the Modify
Values window.
• Season. The seasons are selected under "Wouldyou like typical ephemeride
16
-------
values? (Yes) " on the Modify Values window.
• Solar Altitude. This value is produced by the GCSolar.NET model based on the
parameters entered.
• Depth (cm). The depths calculated are determined by "Depth Related
Parameters" on the Modify Values window.
• Wavelength (nm). The wavelengths are entered in the table under
"Contaminant Information " on the Modify Values window.
• Ka-Lambda (secA(-l)nmA(-l)). This value is produced by the GCSolar.NET
model based on the parameters entered.
Section D provides a variety of options for plotting ka-lambda values. There are four drop-
down menus, or three if non-default ephemeride values were selected, and a button for
generating the plot.
• Select Latitude. This drop-down menu will present all latitudes input under
"Geographical Coordinates " on the Modify Values window.
• Select Season. This drop-down menu will appear only if typical ephemeride
values were used (non-default ephemeride values do not present an option to
select a season). If it is present, it will present all seasons selected on the
Modify Values window.
• Select Depth. This drop-down menu will present all depths analyzed in this
model run. This is determined by "Depth Related Parameters " on the Modify
Values window.
• Select Solar Altitude. This drop-down menu will present all solar altitudes
calculatedfor this set of parameters.
Click the [Plot Ka-Lambdas| button to generate a plot with the selected
attributes.
Click Close to close this window.
17
-------
3.0 Sample Session
Chapter 3 presents a walkthrough for using the GCSolar.NET program to analyze the
potential chemical contaminants Methoxyclor and Carbazole. This walkthrough assumes that the
user has read through Chapter 2 and can therefore navigate the various modules of the
GCSolar.NET program. This walkthrough is presented in six parts below, each of which builds
on the edits of the previous part and focuses on editing a different aspect of the data set.
Throughout the walkthrough, example outputs are shown to check progress and compare how
changing parameters affects the output. Note: tables and plots can be exported, but other input
data (such as ozone layer thickness) cannot be saved between sessions.
3.1 PART I: Basic Modifications
1. OpenGCSolar.NET
2. From the launch window, open the View module to see what default values are in
use
3. Close the View module
4. From the launch window, select and open the Modify Values module to begin
setting up the scenario. See Figure 12 for reference.
. w im&rni
Nome of cantofnmnnt MottlOXyctOf]
Type of Contominani
Chenncal
Table 1 Waier and contaminant absorption coaftioenis as a function of wov«tongilnia
Wavelength (nm)
Water Absorption Coefficients (m~-1)
Chamical Absorption CoeHioeni# (LA mole cm»
'
[Si
|o 0G9000
11 100000
300.00
0.091000
¦> 670000
302 50
0 057000
1 900000
305 00
oosaoao
1 100000
1307.50
0.049000
OSOOOOO
[31000
0 045000
0 530000 j
1312 50
0 043000
0 330000
31500
0041000
0 270000
317 Ml
0 038000
0180000
Select absorption coefficients to plat
Wolor Absorption Coefficients
Wnuld ymi lAn hnwr.nl nphnmenrin
I'iw Absorption Co«»ei«W3
fcxpoil C
-------
2. Set the Maximum Wavelength (nm): 330.0
3. Select Type of Water Body: Pure Water
4. Click the [Enter Absorption Data| button
5. Click the |OK| button, accepting the default values.
a. A pop-up should inform the user, "Data were successfully updated. "
Click OK to continue.
b. Under "Would you like typical ephemeride values?"
i. Set Would you like typical ephemeride values? to: Yes (default)
ii. Under "Geographical Coordinates"
1. Set Longitude: 90.0
2. Set No. of latitudes: 1
3. Click the Edit/Add button, and set Latitude: 40
a. A pop-up should inform the user, "Latitudes were successfully
entered. " Click OK to continue.
iii. Under "Seasons"
1. Select Spring (default)
iv. Under "Do you want to use default ozone layer values?"
1. Set Do you want to use default ozone layer values? to: Yes
c. Under "Depth Related Parameters"
1. Leave default values
d. Under "Miscellaneous Parameters"
1. Leave default values
5. Click the [Perform Time of Day Simulation! button to run the model. A pop-up should
inform the user, "Parameters were successfully updated. " Figure 13 shows the
model output for this scenario, also provided in tabular format below.
Latitude
Season
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate Constant
(sec**-1)
Half-Life
(hours)
40
SPRING
0.00
5.29
0E+00
Infinity
5.00
5.81
2.17687E-09
8.84296E+04
10.00
6.25
6.35273E-09
3.03019E+04
20.00
7.12
2.93284E-08
6.5636E+03
30.00
7.99
7.49012E-08
2.57005E+03
40.00
8.91
1.38053E-07
1.3944E+03
50.00
9.93
2.08949E-07
9.21278E+02
60.00
11.75
2.77389E-07
6.9397E+02
60.09
11.92
2.779E-07
6.92696E+02
60.00
12.1
2.77389E-07
6.9397E+02
50.00
13.92
2.08949E-07
9.21278E+02
40.00
14.94
1.38053E-07
1.3944E+03
19
-------
Latitude
Season
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate Constant
(sec**-1)
Half-Life
(hours)
30.00
15.85
7.49012E-08
2.57005E+03
20.00
16.73
2.93284E-08
6.5636E+03
10.00
17.6
6.35273E-09
3.03019E+04
5.00
18.04
2.17687E-09
8.84296E+04
0.00
18.55
0E+00
Infinity
Depth (cm)
= 1.000E-003
Depth Point (cm) = None
Average Rate Constant (sec**-
= 1.27E-07
1)
Integrated Rate Constant (day**-
1) = 6.06E-03
Integrated Half-Life (days) =
1.14E+02
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-------
c. Select Depth: 1.000E-003 (default)
d. Select X axis: Time of Day (hours) (default)
e. Select Y axis: RATE CONSTANT (sec**-l) (default)
7. Click the [Plot Rate ConstantsI button to generate a plot of the output, shown in
Figure 14
8. Click the |Save Plot to| button on the plot output window to save the plot as a .PNG
file using a standard Windows form
, | IB1 I
i FormPlotTimeOfDay
Methoxyclor Photolysis Rate Constants vs Time-of-Day; Latitude = 40, Depth = 1.000E-003, Season = Spring
10 12 14
Time of day
Save Plot to File
Figure 14. The Time of day vs. Photolysis Rate Constant plot as generated in Part I.
9. Click the |Close| button to close the plot window
10. Click the |Close| button to close the output window
3.2
PART II: Changing Elevation and Ozone
11. From the Modify Values module, under "Do you want to use default ozone layer
values?"
Set Do you want to use default ozone layer values? to: No
i. Set Atmospheric Ozone Layer (cm): 0.200
a.
b.
Click the [Perform Time of Day Simulation! button. The results are shown below,
and plotted in Figure 15. Compare these values to those generated under Part I to
see the difference caused by the change to ozone layer thickness. This distinction
is demonstrated in Figure 16.
21
-------
Latitude
Season
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate
Constant
(sec**-1)
Half-Life (hours)
40
SPRING
0.00
5.29
0E+00
Infinity
5.00
5.81
3.3547E-09
5.73821 E+04
10.00
6.25
1.0316E-08
1.86604E+04
20.00
7.12
5.07091 E-08
3.79616E+03
30.00
7.99
1.35676E-07
1.41882E+03
40.00
8.91
2.64659E-07
7.27351 E+02
50.00
9.93
4.26772E-07
4.5106E+02
60.00
11.75
6.01517E-07
3.20024E+02
60.09
11.92
6.02942E-07
3.19268E+02
60.00
12.1
6.01517E-07
3.20024E+02
50.00
13.92
4.26772E-07
4.5106E+02
40.00
14.94
2.64659E-07
7.27351 E+02
30.00
15.85
1.35676E-07
1.41882E+03
20.00
16.73
5.07091 E-08
3.79616E+03
10.00
17.6
1.0316E-08
1.86604E+04
5.00
18.04
3.3547E-09
5.73821 E+04
0.00
18.55
0E+00
Infinity
Depth (cm) = 1E-03
Depth Point (cm) = None
Average Rate Constant (sec**-
1) = 2.59E-07
Integrated Rate Constant
(day**-1) = 1.24E-02
Integrated Half-Life (days) =
5.6E+01
22
-------
bJ FormPlotTimeOfDay
3 | B l^^wT
Methoxyclor Photolysis Rate Constants vs Time-of-Day; Latitude = 40, Depth = 1.000E-003, Season = Spring
10 12 14
Time of day
Save Plot to File
Figure 15. The Time of day vs. Photolysis Rate Constant plot as generated by changing Ozone Layer
Thickness to 0.200.
o
S
7.00E-07
b.00E-07
5.00E-07
3.00E-07
2.00E-07
1.00E-07
0.00E+00
Q 4.00E-07
re
C£
10 15
Time of Day (hours)
¦Rate at 0.3 cm
¦Rate at 0.2 cm
Figure 16. Comparison of Photolysis Rate Constants for Ozone Thicknesses of 0.3 cm and 0.2 cm (graph
generated in Microsoft Excel using GCSolar output data).
12. Close the plotting and output windows
13. Under "Do you want to use default ozone layer values?"
a. Set Do you want to use default ozone layer values? to: Yes
14. Under "Mi scellaneous Parameters"
a. Set Elevation (km): 4.0
23
-------
15. Click Perform Time of Day Simulation|. Model output for this elevation is shown
below.
Latitude
Season
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate Constant
(sec**-1)
Half-Life
(hours)
40
SPRING
0.00
5.29
0E+00
Infinity
5.00
5.81
1.846E-09
1.04279E+05
10.00
6.25
6.11377E-09
3.14863E+04
20.00
7.12
3.7138E-08
5.18337E+03
30.00
7.99
1.02368E-07
1.88048E+03
40.00
8.91
1.89893E-07
1.01373E+03
50.00
9.93
2.84953E-07
6.75549E+02
60.00
11.75
3.74798E-07
5.1361E+02
60.09
11.92
3.7546E-07
5.12705E+02
60.00
12.1
3.74798E-07
5.1361E+02
50.00
13.92
2.84953E-07
6.75549E+02
40.00
14.94
1.89893E-07
1.01373E+03
30.00
15.85
1.02368E-07
1.88048E+03
20.00
16.73
3.7138E-08
5.18337E+03
10.00
17.6
6.11377E-09
3.14863E+04
5.00
18.04
1.846E-09
1.04279E+05
0.00
18.55
0E+00
Infinity
Depth (cm) = 1E-03
Depth Point (cm) = None
Average Rate Constant (sec**-1)
= 1.72E-07
Integrated Rate Constant (day**-
1) = 8.21 E-03
Integrated Half-Life (days) =
8.45E+01
16. Close the plotting and output windows
17. Re set the altitude to 0.0
3.3 PART III: Changing Latitude, and Season, and Contaminant Absorption
18. From the Modify Values module, under "Contaminant Information"
a. Set Name of contaminant: Carbazole
b. Click [Edit Table 1
i.
Set Minimum Wavelength: 297.5
ii. Set Maximum Wavelength: 390.0
iii. Set Select Type of Water Body: Pure Water
iv. Click |Enter Absorption Data
24
-------
1.
Set the Chemical Absorption Coefficients (L/(mole cm)) to the
following values:
Wavelength (nm) Chemical Absorption Coefficients (L/(mole cm))
297.50 5540
300.00 3100
302.50 2440
305.00 2270
307.50 2390
310.00 2530
312.50 2600
315.00 2700
317.50 2920
320.00 3190
323.10 3170
330.00 2900
340.00 1520
350.00 166
360.00 23
Wavelength (nm) Chemical Absorption Coefficients (L/(mole cm))
370.00 13
380.00 12
390.00 2
2. Click |OK
a. A pop-up should inform the user, "Data were successfully updated. "
Click OK to continue.
19. Under "Would you like typical ephemeride values?"
a. Under "Geographical Coordinates"
l.
ii.
Set No. of latitudes: 2
Click [Edit/Add
1. Set the following values:
Latitude index Latitude
1 30
2 50
a. A pop-up should inform the user, "Latitudes were successfully
entered. " Click OK to continue.
b. Under "Seasons"
i. Check Summer and Winter only
20. Under "Miscellaneous Parameters"
a. Set Quantum Yield of Contaminant: 0.0033
21. Click Perform Time of Day Simulation|. Model output at this point is below.
25
-------
Latitude
Season
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate Constant
(sec**-1)
Half-Life
(hours)
30
SUMMER
0.00
5.13
0E+00
Infinity
5.00
5.61
3.0716E-06
6.2671 E+01
10.00
6.01
7.08071 E-06
2.71865E+01
20.00
6.81
2.24044E-05
8.59206E+00
30.00
7.59
4.34114E-05
4.43432E+00
40.00
8.36
6.48118E-05
2.97014E+00
50.00
9.13
8.34518E-05
2.30672E+00
60.00
9.9
9.81039E-05
1.96221E+00
70.00
10.71
1.08485E-04
1.77444E+00
80.00
11.89
1.14644E-04
1.6791 E+00
80.09
11.99
1.14664E-04
1.67882E+00
80.00
12.09
1.14644E-04
1.6791 E+00
70.00
13.27
1.08485E-04
1.77444E+00
60.00
14.08
9.81039E-05
1.96221 E+00
50.00
14.85
8.34518E-05
2.30672E+00
40.00
15.62
6.48118E-05
2.97014E+00
30.00
16.39
4.34114E-05
4.43432E+00
20.00
17.17
2.24044E-05
8.59206E+00
10.00
17.96
7.08071 E-06
2.71865E+01
5.00
18.37
3.0716E-06
6.2671 E+01
0.00
18.85
0E+00
Infinity
Depth (cm) = 1.000E-003
Depth Point (cm) = None
Average Rate Constant (sec**-1)
= 6.36E-05
Integrated Rate Constant (day**-
1) = 3.14E+00
Integrated Half-Life (days) =
2.2E-01
30
WINTER
0.00
6.84
0E+00
Infinity
5.00
7.33
3.08775E-06
6.23431 E+01
10.00
7.77
7.12037E-06
2.70351 E+01
20.00
8.7
2.25318E-05
8.54348E+00
30.00
9.8
4.36479E-05
4.4103E+00
39.86
12.08
6.48538E-05
2.96821 E+00
30.00
14.36
4.36479E-05
4.4103E+00
20.00
15.46
2.25318E-05
8.54348E+00
10.00
16.39
7.12037E-06
2.70351 E+01
5.00
16.83
3.08775E-06
6.23431 E+01
0.00
17.32
0E+00
Infinity
26
-------
Latitude
Season
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate Constant
(sec**-1)
Half-Life
(hours)
Depth (cm) = 1.000E-003
Depth Point (cm) = None
Average Rate Constant (sec**-1)
= 3.5E-05
Integrated Rate Constant (day**-
1) = 1.32E+00
Integrated Half-Life (days) =
5.24E-01
50
SUMMER
0.00
4.18
0E+00
Infinity
5.00
4.88
2.99376E-06
6.43003E+01
10.00
5.44
6.88953E-06
2.79409E+01
20.00
6.5
2.1789E-05
8.83472E+00
30.00
7.54
4.22686E-05
4.5542E+00
40.00
8.6
6.31803E-05
3.04684E+00
50.00
9.76
8.1423E-05
2.3642E+00
60.00
11.79
9.57771 E-05
2.00988E+00
60.09
11.99
9.58733E-05
2.00786E+00
60.00
12.19
9.57771 E-05
2.00988E+00
50.00
14.22
8.1423E-05
2.3642E+00
40.00
15.38
6.31803E-05
3.04684E+00
30.00
16.44
4.22686E-05
4.5542E+00
20.00
17.47
2.1789E-05
8.83472E+00
10.00
18.54
6.88953E-06
2.79409E+01
5.00
19.1
2.99376E-06
6.43003E+01
0.00
19.79
0E+00
Infinity
Depth (cm) = 1.000E-003
Depth Point (cm) = None
Average Rate Constant (sec**-1)
= 5.06E-05
Integrated Rate Constant (day**-
1) = 2.84E+00
Integrated Half-Life (days) =
2.44E-01
50
WINTER
0.00
7.72
0E+00
Infinity
5.00
8.46
2.9516E-06
6.52189E+01
10.00
9.19
6.7859E-06
2.83677E+01
19.86
12.08
2.12528E-05
9.05763E+00
10.00
14.98
6.7859E-06
2.83677E+01
5.00
15.7
2.9516E-06
6.52189E+01
0.00
16.44
0E+00
Infinity
Depth (cm) = 1.000E-003
27
-------
Latitude
Season
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate Constant
(sec**-1)
Half-Life
(hours)
Depth Point (cm) = None
Average Rate Constant (sec**-1)
= 1.11E-05
Integrated Rate Constant (day**-
1) = 3.48E-01
Integrated Half-Life (days) =
1.99E+00
22. Under "Select Multiple Plots Case"
a. Select Selected Depth and Season vs Latitudes
b.
Click [Plot Multiple Rate Constants|. The results are shown in Figure 17. Note:
the colors for the plot lines are chosen randomly by the program and will be
different each time a plot is generated.
¦5- S-wmMulIiplePlcrtiTod
Carbazole Photolysis Rate Constants vs Time-of-Day; Depth = 1.0DOE-OD3 cm, Season = Summer
/
\
\
V,
I Latitude = 30 degrees north
| Latitude = 50 degrees north
Tims of day
Save Plot lo File
Figure 17. The Multiple Plots tool showing multiple latitudes with the changes made during Part III of
this walkthrough.
23. Close the plot window.
24. Close the output window
3.4 PART IV: Non-default Ephemeride and Ozone Values
25. From the Modify Values module, under "Would you like typical ephemeride
values?"
a. Set Would you like typical ephemeride values? to: No. See Figure 18 for
settings for Part IV.
28
-------
Nwne of corvHmwwnt
Table I Woier and
T ype of Contominom
¦ Cherrncal E3iotoq»cal
absorption coefficients as a function of wovefenolhs
-
Wovelenolh (nm)
Water Absorption Coefficients (mM-1}
Chemical Absorption Coefficients (U{mole cm»
5S40 000000
3100.000000
*
300.00
0.061000
302.50
0 057000
2440 000000
30!) (XI
0 0S3000
2270000000
307 50
0 049000
2390 000000
310 00
0 045000
jg&aooooooo
31250
0 043000
2600.000000
315.00
0 041000
2700 000000
131750
TH1I-V1
0 039000
riAITiW
2920 000000
-^,i'.yi ivvwtit
Select absorption coefficients to plot
Wutoi Absorption Coefficients
I'KH A&sorpdon CoMhciews
I I It II |i"lic|r ¦
Durplh Riitolwf Parameters
Irniujl Odfilh ton)
Final Datplli (cm)
Depth Increment (an)
Would you Utt> to u
Yo* •
.i "f)wpU> ftwiT Calculations)'?
MtseniMwiaus P8fW##*em
(Jufliilunv ViuliJ of Contaminant
Reirortvn Indwof Wotii hI Close
Figure 18. The Modify Values module shown with "No" selected for typical ephemeride values. Note the
change in what input fields are available under ephemeride values section.
b. Under "Geographical Coordinates"
i Set Longitude: 83.2
ii. Set Latitude: 34
c. Set Solar Declination to: 23 Degrees, 26 Minutes, 24.1 Seconds
d. Set Right Ascension to: 5 Degrees, 58 Minutes, 53.26 Seconds
e. Set Sidereal Time to: 17 Degrees, 57 Minutes, 16.047 Seconds
f. Under "Do you want to use default ozone layer values?"
i Set Do you want to use default ozone layer values? to: No
ii Set Atmospheric Ozone Layer (cm): 0.200
26. Click Perform Time of Day Simulation
Latitude
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate Constant
(sec**-1)
Half-Life
(hours)
34
0.00
4.28
0E+00
Infinity
5.00
4.81
3.28244E-06
5.86454E+01
10.00
5.24
7.59776E-06
2.53364E+01
20.00
6.09
2.40599E-05
8.00086E+00
30.00
6.91
4.64846E-05
4.14116E+00
40.00
7.72
6.9212E-05
2.78131E+00
50.00
8.52
8.89404E-05
2.16437E+00
60.00
9.33
1.04411E-04
1.84367E+00
29
-------
Latitude
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate Constant
(sec**-1)
Half-Life
(hours)
70.00
10.18
1.15354E-04
1.66878E+00
79.44
11.47
1.21476E-04
1.58468E+00
70.00
12.76
1.15354E-04
1.66878E+00
60.00
13.61
1.04411E-04
1.84367E+00
50.00
14.42
8.89404E-05
2.16437E+00
40.00
15.23
6.9212E-05
2.78131E+00
30.00
16.03
4.64846E-05
4.14116E+00
20.00
16.85
2.40599E-05
8.00086E+00
10.00
17.7
7.59776E-06
2.53364E+01
5.00
18.14
3.28244E-06
5.86454E+01
0.00
18.66
0E+00
Infinity
Depth (cm) = 1.000E-003
Depth Point (cm) = None
Average Rate Constant (sec**-1) = 6.7E-05
Integrated Rate Constant (day**-1) =
3.47E+00
Integrated Half-Life (days) = 2E-01
27. Close the output window
28. From the Modify Values module, under "Depth Related Parameters'
a. Set Initial Depth (cm): 0.001 (default)
b. Set Final Depth (cm): 4000.001
c. Set Depth Increment (cm): 1000
29. Click Perform Time of Day Simulation
Latitude
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate Constant
(sec**-1)
Half-Life
(hours)
34
0.00
4.28
0E+00
Infinity
5.00
4.81
3.28244E-06
5.86454E+01
10.00
5.24
7.59776E-06
2.53364E+01
20.00
6.09
2.40599E-05
8.00086E+00
30.00
6.91
4.64846E-05
4.14116E+00
40.00
7.72
6.9212E-05
2.78131E+00
50.00
8.52
8.89404E-05
2.16437E+00
60.00
9.33
1.04411 E-04
1.84367E+00
70.00
10.18
1.15354E-04
1.66878E+00
79.44
11.47
1.21476E-04
1.58468E+00
70.00
12.76
1.15354E-04
1.66878E+00
60.00
13.61
1.04411 E-04
1.84367E+00
30
-------
Latitude
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate Constant
(sec**-1)
Half-Life
(hours)
50.00
14.42
8.89404E-05
2.16437E+00
40.00
15.23
6.9212E-05
2.78131E+00
30.00
16.03
4.64846E-05
4.14116E+00
20.00
16.85
2.40599E-05
8.00086E+00
10.00
17.7
7.59776E-06
2.53364E+01
5.00
18.14
3.28244E-06
5.86454E+01
0.00
18.66
0E+00
Infinity
Depth (cm) = 1.000E-003
Depth Point (cm) = None
Average Rate Constant (sec**-1) = 6.7E-05
Integrated Rate Constant (day**-1) =
3.47E+00
Integrated Half-Life (days) = 2E-01
34
0.00
4.28
0E+00
Infinity
5.00
4.81
2.29243E-06
8.39721 E+01
10.00
5.24
5.25182E-06
3.66539E+01
20.00
6.09
1.62903E-05
1.18168E+01
30.00
6.91
3.12126E-05
6.16739E+00
40.00
7.72
4.65739E-05
4.13322E+00
50.00
8.52
6.02411E-05
3.19549E+00
60.00
9.33
7.12233E-05
2.70277E+00
70.00
10.18
7.91462E-05
2.43221 E+00
79.44
11.47
8.36391 E-05
2.30156E+00
70.00
12.76
7.91462E-05
2.43221 E+00
60.00
13.61
7.12233E-05
2.70277E+00
50.00
14.42
6.02411 E-05
3.19549E+00
40.00
15.23
4.65739E-05
4.13322E+00
30.00
16.03
3.12126E-05
6.16739E+00
20.00
16.85
1.62903E-05
1.18168E+01
10.00
17.7
5.25182E-06
3.66539E+01
5.00
18.14
2.29243E-06
8.39721 E+01
0.00
18.66
0E+00
Infinity
Depth (cm) = 1.000E+003
Depth Point (cm) = None
Average Rate Constant (sec**-1) = 4.57E-
05
Integrated Rate Constant (day**-1) =
2.36E+00
Integrated Half-Life (days) = 2.93E-01
34
0.00
4.28
0E+00
Infinity
31
-------
Latitude
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate Constant
(sec**-1)
Half-Life
(hours)
5.00
4.81
1.68619E-06
1.14163E+02
10.00
5.24
3.83592E-06
5.01836E+01
20.00
6.09
1.17385E-05
1.63991E+01
30.00
6.91
2.23739E-05
8.60379E+00
40.00
7.72
3.34479E-05
5.75522E+00
50.00
8.52
4.34797E-05
4.42735E+00
60.00
9.33
5.1688E-05
3.72427E+00
70.00
10.18
5.76987E-05
3.3363E+00
79.44
11.47
6.11428E-05
3.14837E+00
70.00
12.76
5.76987E-05
3.3363E+00
60.00
13.61
5.1688E-05
3.72427E+00
50.00
14.42
4.34797E-05
4.42735E+00
40.00
15.23
3.34479E-05
5.75522E+00
30.00
16.03
2.23739E-05
8.60379E+00
20.00
16.85
1.17385E-05
1.63991 E+01
10.00
17.7
3.83592E-06
5.01836E+01
5.00
18.14
1.68619E-06
1.14163E+02
0.00
18.66
0E+00
Infinity
Depth (cm) = 2.000E+003
Depth Point (cm) = None
Average Rate Constant (sec**-1) = 3.31 E-
05
Integrated Rate Constant (day**-1) =
1.71E+00
Integrated Half-Life (days) = 4.04E-01
34
0.00
4.28
0E+00
Infinity
5.00
4.81
1.29751E-06
1.48361E+02
10.00
5.24
2.93806E-06
6.55195E+01
20.00
6.09
8.91451 E-06
2.1594E+01
30.00
6.91
1.69373E-05
1.13655E+01
40.00
7.72
2.53558E-05
7.59195E+00
50.00
8.52
3.30768E-05
5.81979E+00
60.00
9.33
3.94751 E-05
4.87649E+00
70.00
10.18
4.4211E-05
4.35412E+00
79.44
11.47
4.69452E-05
4.10052E+00
70.00
12.76
4.4211 E-05
4.35412E+00
60.00
13.61
3.94751 E-05
4.87649E+00
50.00
14.42
3.30768E-05
5.81979E+00
40.00
15.23
2.53558E-05
7.59195E+00
30.00
16.03
1.69373E-05
1.13655E+01
32
-------
Latitude
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate Constant
(sec**-1)
Half-Life
(hours)
20.00
16.85
8.91451 E-06
2.1594E+01
10.00
17.7
2.93806E-06
6.55195E+01
5.00
18.14
1.29751 E-06
1.48361E+02
0.00
18.66
0E+00
Infinity
Depth (cm) = 3.000E+003
Depth Point (cm) = None
Average Rate Constant (sec**-1) = 2.53E-
05
Integrated Rate Constant (day**-1) =
1.31E+00
Integrated Half-Life (days) = 5.3E-01
34
0.00
4.28
0E+00
Infinity
5.00
4.81
1.03719E-06
1.85598E+02
10.00
5.24
2.34158E-06
8.22094E+01
20.00
6.09
7.06765E-06
2.72368E+01
30.00
6.91
1.34028E-05
1.43626E+01
40.00
7.72
2.00835E-05
9.58499E+00
50.00
8.52
2.62604E-05
7.33043E+00
60.00
9.33
3.14234E-05
6.12601 E+00
70.00
10.18
3.52734E-05
5.45737E+00
79.44
11.47
3.7508E-05
5.13224E+00
70.00
12.76
3.52734E-05
5.45737E+00
60.00
13.61
3.14234E-05
6.12601 E+00
50.00
14.42
2.62604E-05
7.33043E+00
40.00
15.23
2.00835E-05
9.58499E+00
30.00
16.03
1.34028E-05
1.43626E+01
20.00
16.85
7.06765E-06
2.72368E+01
10.00
17.7
2.34158E-06
8.22094E+01
5.00
18.14
1.03719E-06
1.85598E+02
0.00
18.66
0E+00
Infinity
Depth (cm) = 4.000E+003
Depth Point (cm) = None
Average Rate Constant (sec**-1) = 2.01 E-
05
Integrated Rate Constant (day**-1) =
1.04E+00
Integrated Half-Life (days) = 6.65E-01
30. Under "Select Multiple Plots Case"
a. Select Selected Latitude and Season vs Depths
b. Click [Plot Multiple Rate Constants!. The results are shown in Figure 19. Note:
33
-------
the colors for the plot lines are chosen randomly by the program and will be
different each time a plot is generated.
FoimMultiplePlotiTod
~ 00001
a.
I
Carbazole Photolysis Rate Constants vs Time-of-Day: Latitude = 34
Time of day
Save Plot to File
iFQ-jr
! Depth = 1.000E-0Q3 cm
| Depth = 1.000E+003 cm
] Depth = 2.000E+003 cm
| Depth = 3.000E+003 cm
| Depth = 4.Q00E+003 cm
Figure 19. The Multiple Plots tool showing multiple depths with the changes made during Part V of this
walkthrough.
31. Close the plot window
32. Close the output window
3.6 PART VI: Changing Depth Point
33. From the Modify Values module, under "Depth Related Parameters"
c. Under "Would you like to use "Depth Point" Calculations?"
i. Select "Yes"
ii. Set Depth Point (cm): 0.001 (default)
34. Click Perform Time of Day Simulation
Latitude
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate Constant
(sec**-1)
Half-Life
(hours)
34
0.00
4.28
0E+00
Infinity
5.00
4.81
3.28244E-06
5.86454E+01
10.00
5.24
7.59775E-06
2.53364E+01
20.00
6.09
2.40599E-05
8.00087E+00
30.00
6.91
4.64845E-05
4.14116E+00
40.00
7.72
6.92119E-05
2.78131E+00
50.00
8.52
8.89404E-05
2.16437E+00
60.00
9.33
1.04411E-04
1.84367E+00
70.00
10.18
1.15354E-04
1.66878E+00
79.44
11.47
1.21476E-04
1.58468E+00
70.00
12.76
1.15354E-04
1.66878E+00
34
-------
Latitude
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate Constant
(sec**-1)
Half-Life
(hours)
60.00
13.61
1.04411E-04
1.84367E+00
50.00
14.42
8.89404E-05
2.16437E+00
40.00
15.23
6.92119E-05
2.78131E+00
30.00
16.03
4.64845E-05
4.14116E+00
20.00
16.85
2.40599E-05
8.00087E+00
10.00
17.7
7.59775E-06
2.53364E+01
5.00
18.14
3.28244E-06
5.86454E+01
0.00
18.66
0E+00
Infinity
Depth (cm) = 1.000E-003
Depth Point (cm) = 1E-03
Average Rate Constant (sec**-1) = 6.7E-05
Integrated Rate Constant (day**-1) =
3.47E+00
Integrated Half-Life (days) = 2E-01
34
0.00
4.28
0E+00
Infinity
5.00
4.81
1.53132E-06
1.25708E+02
10.00
5.24
3.46349E-06
5.55798E+01
20.00
6.09
1.04708E-05
1.83845E+01
30.00
6.91
1.98571E-05
9.69429E+00
40.00
7.72
2.97267E-05
6.47565E+00
50.00
8.52
3.87983E-05
4.96156E+00
60.00
9.33
4.632E-05
4.15587E+00
70.00
10.18
5.18834E-05
3.71024E+00
79.44
11.47
5.50919E-05
3.49416E+00
70.00
12.76
5.18834E-05
3.71024E+00
60.00
13.61
4.632E-05
4.15587E+00
50.00
14.42
3.87983E-05
4.96156E+00
40.00
15.23
2.97267E-05
6.47565E+00
30.00
16.03
1.98571 E-05
9.69429E+00
20.00
16.85
1.04708E-05
1.83845E+01
10.00
17.7
3.46349E-06
5.55798E+01
5.00
18.14
1.53132E-06
1.25708E+02
0.00
18.66
0E+00
Infinity
Depth (cm) = 1.000E+003
Depth Point (cm) = 1 E-03
Average Rate Constant (sec**-1) = 2.97E-
05
Integrated Rate Constant (day**-1) =
1.54E+00
Integrated Half-Life (days) = 4.51 E-01
35
-------
Latitude
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate Constant
(sec**-1)
Half-Life
(hours)
34
0.00
4.28
0E+00
Infinity
5.00
4.81
7.30424E-07
2.63545E+02
10.00
5.24
1.61798E-06
1.18976E+02
20.00
6.09
4.69985E-06
4.09588E+01
30.00
6.91
8.77657E-06
2.19334E+01
40.00
7.72
1.32305E-05
1.45497E+01
50.00
8.52
1.75653E-05
1.09591E+01
60.00
9.33
2.13618E-05
9.01141E+00
70.00
10.18
2.42944E-05
7.92364E+00
79.44
11.47
2.60358E-05
7.39367E+00
70.00
12.76
2.42944E-05
7.92364E+00
60.00
13.61
2.13618E-05
9.01141 E+00
50.00
14.42
1.75653E-05
1.09591 E+01
40.00
15.23
1.32305E-05
1.45497E+01
30.00
16.03
8.77657E-06
2.19334E+01
20.00
16.85
4.69985E-06
4.09588E+01
10.00
17.7
1.61798E-06
1.18976E+02
5.00
18.14
7.30424E-07
2.63545E+02
0.00
18.66
0E+00
Infinity
Depth (cm) = 2.000E+003
Depth Point (cm) = 1E-03
Average Rate Constant (sec**-1) = 1.37E-
05
Integrated Rate Constant (day**-1) = 7.07E-
01
Integrated Half-Life (days) = 9.81 E-01
34
0.00
4.28
0E+00
Infinity
5.00
4.81
3.56204E-07
5.4042E+02
10.00
5.24
7.73954E-07
2.48723E+02
20.00
6.09
2.17079E-06
8.86774E+01
30.00
6.91
4.00046E-06
4.81194E+01
40.00
7.72
6.07654E-06
3.16792E+01
50.00
8.52
8.21196E-06
2.34414E+01
60.00
9.33
1.01821E-05
1.89057E+01
70.00
10.18
1.17672E-05
1.63591 E+01
79.44
11.47
1.27343E-05
1.51167E+01
70.00
12.76
1.17672E-05
1.63591 E+01
60.00
13.61
1.01821 E-05
1.89057E+01
50.00
14.42
8.21196E-06
2.34414E+01
40.00
15.23
6.07654E-06
3.16792E+01
36
-------
Latitude
Summary Items
Solar
Altitude
Time of
Day (hours)
Rate Constant
(sec**-1)
Half-Life
(hours)
30.00
16.03
4.00046E-06
4.81194E+01
20.00
16.85
2.17079E-06
8.86774E+01
10.00
17.7
7.73954E-07
2.48723E+02
5.00
18.14
3.56204E-07
5.4042E+02
0.00
18.66
0E+00
Infinity
Depth (cm) = 3.000E+003
Depth Point (cm) = 1E-03
Average Rate Constant (sec**-1) = 6.49E-
06
Integrated Rate Constant (day**-1) = 3.36E-
01
Integrated Half-Life (days) = 2.06E+00
34
0.00
4.28
0E+00
Infinity
5.00
4.81
1.77739E-07
1.08305E+03
10.00
5.24
3.79115E-07
5.07762E+02
20.00
6.09
1.03053E-06
1.86797E+02
30.00
6.91
1.8769E-06
1.02563E+02
40.00
7.72
2.87268E-06
6.70105E+01
50.00
8.52
3.95197E-06
4.87099E+01
60.00
9.33
4.9974E-06
3.852E+01
70.00
10.18
5.87078E-06
3.27895E+01
79.44
11.47
6.4172E-06
2.99975E+01
70.00
12.76
5.87078E-06
3.27895E+01
60.00
13.61
4.9974E-06
3.852E+01
50.00
14.42
3.95197E-06
4.87099E+01
40.00
15.23
2.87268E-06
6.70105E+01
30.00
16.03
1.8769E-06
1.02563E+02
20.00
16.85
1.03053E-06
1.86797E+02
10.00
17.7
3.79115E-07
5.07762E+02
5.00
18.14
1.77739E-07
1.08305E+03
0.00
18.66
0E+00
Infinity
Depth (cm) = 4.000E+003
Depth Point (cm) = 1 E-03
Average Rate Constant (sec**-1) = 3.18E-
06
Integrated Rate Constant (day**-1) = 1.65E-
01
Integrated Half-Life (days) = 4.2E+00
This ends the sample session.
37
-------
Appendix I: Default Values
Contaminant Name: Methoxyclor Initial Depth: 0.001 cm Quantum Yield: 0.32
Water identification: Pure Water Depth Increment: 10 cm Seasons: Spring
Type of atmosphere: Terrestrial
Final Depth: 5 cm
Latitude: 34
Longitude: 83.2
Depth Point: 0.0
Elevation: 0 km
Refractive Index: 1.34
Wavelength (nm)
Water Absorption Coefficients
(m**-l)
Chemical Absorption
Coefficients (L/(mole cm))
280.00
0.120000
2200.000000
282.50
0.113000
2020.000000
285.00
0.106000
1530.000000
287.50
0.099000
642.000000
290.00
0.093000
271.000000
292.50
0.085000
102.000000
295.00
0.077000
28.000000
297.50
0.069000
11.100000
300.00
0.061000
4.670000
302.50
0.057000
1.900000
305.00
0.053000
1.100000
307.50
0.049000
0.800000
310.00
0.045000
0.530000
312.50
0.043000
0.330000
315.00
0.041000
0.270000
317.50
0.039000
0.160000
320.00
0.037000
0.100000
323.10
0.035000
0.060000
330.00
0.029000
0.020000
340.00
0.024000
0.000000
350.00
0.020000
0.000000
360.00
0.016000
0.000000
370.00
0.013000
0.000000
380.00
0.009600
0.000000
390.00
0.008300
0.000000
400.00
0.007400
0.000000
410.00
0.007000
0.000000
420.00
0.006600
0.000000
430.00
0.006200
0.000000
A-l
-------
Wavelength (nm)
Water Absorption Coefficients
(m**-l)
Chemical Absorption
Coefficients (L/(mole cm))
440.00
0.006200
0.000000
450.00
0.006200
0.000000
460.00
0.006800
0.000000
470.00
0.006800
0.000000
480.00
0.007600
0.000000
490.00
0.008500
0.000000
500.00
0.012000
0.000000
525.00
0.021000
0.000000
550.00
0.028000
0.000000
575.00
0.041000
0.000000
600.00
0.100000
0.000000
625.00
0.140000
0.000000
650.00
0.150000
0.000000
675.00
0.190000
0.000000
700.00
0.280000
0.000000
750.00
1.000000
0.000000
800.00
0.890000
0.000000
The table below contains the default ozone layer's thicknesses used in GCSolar. There is an
ozone layer thickness for each of the 10 latitudes and 4 seasons listed below, for a total of 40
values. Ozone layer data are in cm and latitudes are in degrees.
Latitude
Spring
Summer
Fall
Winter
0
0.26
0.256
0.244
0.241
10
0.268
0.261
0.253
0.247
20
0.287
0.273
0.261
0.26
30
0.313
0.292
0.27
0.284
40
0.352
0.314
0.281
0.318
50
0.395
0.333
0.299
0.357
60
0.419
0.346
0.308
0.373
70
0.43
0.349
0.307
0.37
80
0.435
0.347
0.299
0.364
90
0.436
0.339
0.29
0.361
A-2
------- |