User's Guide to POPCYCLING

User's Guide to POPCYCLING
User’s Guide to
POPCYCLING-Bråviken
Model V 1.00
A Multicompartment Mass Balance Model of the
Fate of Persistent Organic Pollutants in the
Bråviken Aquatic & Atmospheric Environment
By Deguo Kong, James Armitage, Annika Åberg, Ian Cousins
March, 2011
User’s Guide to POPCYCLING-Bråviken Model V 1.00
ACKNOWLEDGEMENTS
We acknowledge the County Administrative Board of Östergötland for financially supporting the
development of the POPCYCLING-Bråviken model which is described in this document. Many
thanks are also due to Frank Wania, who is currently an Associate Professor in Toronto, for
giving us permission to base our work on the POPCYCLING-Baltic model.
User’s guide to POPCYCLING-Bråviken Model
Department of Applied Environmental Science
Stockholm University
SE-106
91
STOCKHOLM,
Sweden
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
CONTENTS
Acknowledgements ....................................................................................................................................II
1.
2.
Getting started .....................................................................................................................................1
1.1
Background..................................................................................................................................1
1.2
Model information......................................................................................................................2
1.3
Model installation........................................................................................................................2
Description and parameterization of the POPCYCLING-Bråviken Model Environment.....3
2.1
System Boundary and Subdivisions..........................................................................................3
2.2
Mass Balances for Carrier Phases .............................................................................................4
2.2.1 Air ................................................................................................................................................4
2.2.2 Water ...........................................................................................................................................4
2.2.3 POC .............................................................................................................................................5
3.
4.
2.3
Physical-Chemical Properties....................................................................................................6
2.4
Environmental Properties........................................................................................................10
2.5
Fate and Transport of Compounds in the Model................................................................11
2.5.1
Phase Partitioning.............................................................................................................11
2.5.2
Physical and Chemical Processes ...................................................................................12
2.5.3
The mass balance equations............................................................................................13
Description of Creating scenario and interpretation of results ..................................................14
3.1
Edit and display environmental parameters..........................................................................14
3.2
Creating scenario using menus................................................................................................15
3.3
Creating scenario by editing input files..................................................................................22
3.4
Description of Output Data....................................................................................................22
Future development..........................................................................................................................28
Terrestrial environment...............................................................................................................................28
References...................................................................................................................................................30
Attachment A Environmental and Physical-chemical properties ......................................................31
Table A1 Mean fluxes and Cpoc data extracted from the HOME system .....................................31
Table A2 Physical-chemical and degradation parameters for PCBs integrated in the
POPCYCLING-Bråviken Model........................................................................................................32
Table A3 Default atmospheric parameters........................................................................................33
Table A4 Default parameters for water compartments...................................................................34
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Table A5 Default parameters for sediment compartments.............................................................35
Table A6 Default values for the concentrations of POC in water compartments and inflows.36
Attachment B Examples...........................................................................................................................37
Example B1 Simulation of the release of PCBs from Bråviken sediments (Only with initial
sediment concentrations; unrealistic scenario)..................................................................................37
Example B2 Level IV Simulation of the Fate and Transport of PCBs in Bråviken Area (only
with Motala inflows; Unrealistic Scenario) ........................................................................................44
Example B3 Level IV Simulation of the Fate and Transport of PCB-28 in Bråviken Area
(With both Motala inflows and initial sediment concentrations) ...................................................50
Example B4 Level IV Simulation of the Fate and Transport of PCB-28 in Bråviken Area
(With both Motala and Baltic inflows and initial sediment concentrations) ................................52
Attachment C Descriptions of output files ...........................................................................................54
Table C1 Descriptions of output files (Containing results saved at each storage time point)...54
Attachment D Creat your own space delimited Input files.................................................................59
Table D1 Description of input files....................................................................................................60
Attachment E Fixing errors .....................................................................................................................62
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
V
User’s Guide to POPCYCLING-Bråviken Model V 1.00
1. GETTING STARTED
1.1
BACKGROUND
Bråviken is a Swedish bay outside the town of Norrköping in Östergötland, and it stretches from
the Loddby Bay to Pampus Bay, Inner Bråviken, Middle Bråviken, Outer Bråviken and Coastal
Bråviken, eventually enters the open Baltic Sea (Figure 1). Bråviken also has a high freshwater
inflow from Motala River to the Pampus Bay. The special location of Bråviken and its rapid
turnover rate imply that water pollution in the bay can be spread to the Baltic Sea readily. Some
special activities may contribute to diffuse pollution, such as local municipal sewage treatment,
shipping and dredging activities. Dredging activity can greatly intensify the resuspension of
contaminated sediment lying in the water bottom, which indirectly causes the release of
accumulated inorganic or organic compounds. Therefore, Bråviken can act as a regional point
source either continuously or intermittently discharging pollutants to the Baltic Sea. Previous
investigations have already revealed that in Bråviken sediment several of the priority substances
exceeded the environmental quality standards, such as mercury and polychlorinated biphenyls
(PCBs).
Figure 1 The location and zonation map of Bråviken area: 1. Loddby Bay; 2. Pampus Bay; 3. Inner
Bråviken; 4. Middle Bråviken; 5. Outer Bråviken; 6. Coastal Bråviken; 7. Svensksunds Bay; 8. Ållonö Bay.
Fugacity-based mass balance models have been widely used for simulation of the fate and
transport of organic compounds in environment which is commonly considered to encompass
certain specific media, e.g. air, soil, water, sediment and vegetation [1-4]. Model simulations for
different purposes can produce invaluable information through assessing the likely behaviour of
compounds. For example, user can obtain insights into
a) what will happen in the future if there was a sever leakage or continuous discharge of PCBs,
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
b) what media the chemicals will mostly distribute into in the environment,
c) what media will act as a sink or source at different environmental conditions, and
d) what process will affect the ultimate fate of PCBs most or least.
Bearing the related findings in mind, local authorities can draw better remediation schemes or
decide to just let the environment recovery slowly. For the Bråviken area the POPCYCLINGBråviken model (version 1.00), a non-steady state multicompartment mass balance model
modified from POPCYCLING-Baltic model [version 1.05; 4], is developed based on fugacity
theory which is expected to be capable of answering the above questions.
1.2 MODEL INFORMATION
The POPCYCLING-Bråviken model is developed in Microsoft Visual Basic® 6.0 to simulate the
distribution and transport of organic compounds in the atmospheric and aquatic environment of
Bråviken (Figure 2). The Bråviken environment is considered to encompass three bulk
compartments (i.e. air, water and sediment), and each bulk compartment is divided into a certain
number of subcompartments (Figure 3). Specific windows were developed for editing and
displaying the environmental properties of various environmental media consisting of the model
and physical-chemical properties. This makes the POPCYCLING-Bråviken model (v. 1.00) have
capabilities of doing either steady-state or unsteady-state simulation of the fate and transport of
organic pollutants in the Bråviken environment, and also makes the user possibly perform simple
sensitivity or uncertainty analyses on key properties (e.g. temperature, half-lives and partition
coefficients) since those analyses require the relevant parameters to be editable. Furthermore,
user can also easily perform scenario analyses through manipulating the input data files.
Additionally, the model can not only also display the simulation results by simple tables or
graphs, but also can export the results to text files which may be further processed in specific
software (e.g. Microsoft Excel®) for presentation purpose.
Figure 2 The aquatic and atmospheric environment of Bråviken.
1.3 MODEL INSTALLATION
The POPCYCLING-Bråviken model is packed into an installation package in Microsoft Visual
Basic 6.0, and then compressed into a generic Zip-type package named as “POPCYCING2
User’s Guide to POPCYCLING-Bråviken Model V 1.00
Bråviken.rar”. User can use general Zip-utilities to uncompress it, such as WinZip® or
WinRAR®. The model package can be downloaded from the official website of Department of
Applied Environmental Science (ITM; www.itm.su.se) at Stockholm University. The package
includes both the installation program and the user guide which can introduce users the
background of the model and how to use the POPCYCLING-Bråviken model.
After downloading the package called “POPCYCLING-Bråviken.zip”, user can either directly
double-click the file named “setup.exe” to install the model or unpack the package to anywhere
on your hard disk then enter the folder and double-click the “setup.exe” file. If there was a
previous version of the POPCYCLING-Bråviken model installed, it is recommended to uninstall
it in advance. After starting the installation process, user may be prompted to decide whether to
keep or replace the existing files on the computer, it is recommended to use or install the newer
version of files if possible. If the user chooses to replace an older version file and there is a
warning message saying access violation of existing files, it is recommended to ignore it instead
of aborting the installation process. Thereafter the model will be automatically installed on the
computer to default location with message suggesting successful installation, otherwise the user
is recommended to contact the model developers for additional help. After successful installation
of the model, user can go to the Windows Start menu and start the program, however, it is
recommended to go through this guide in advance, and user can find this guide either in the Zippackage or in the installation folder.
2. DESCRIPTION
AND
PARAMETERIZATION
OF
POPCYCLING-BRÅVIKEN MODEL ENVIRONMENT
THE
2.1 SYSTEM BOUNDARY AND SUBDIVISIONS
The POPCYCLING-Bråviken model only simulates the aquatic and atmospheric environment
of Bråviken, the surrounding terrestrial environment is therefore excluded in this model. But the
runoff from surrounding terrene is included in the model for setting up water balance. In
accordance with the geographic characteristics of Bråviken Bay, the POPCYCLING-Bråviken
model is set to consist of 8 zones (Figure 1). The inflow of freshwater from upstream Motala
River is a riverine inflow of interest in this model, which flows into Pampus Bay. One creek
flowing into Svensksund Bay is also considered in the model. In the end, water flows into the
Baltic Sea through Bråviken Coast. The exclusion of terrestrial environment may cause some
problems. For example, the runoff water from surrounding area, which should be considered as
inflowing water to Bråviken, can increase the turnover rate. In addition, runoff may also contain
a certain amount of organic pollutants which can contribute to the contamination of Bråviken
Bay.
In the POPCYCLING-Bråviken model, the residence time of atmospheric compartment is set
to be 24 hour. Empirical data are used for the height and volume fractions of aerosols. The
atmospheric conditions are editable, such as the aerosol fractions, concentration of pollutants,
the deposition rate of aerosols etc. More details addressing this issue can be found in the
following section.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Each of the eight aquatic zones is divided into water and sediment subcompartments. The water
and sediment compartments may be further divided into surface and/or deep parts. In total, the
POPCYCLING-Bråviken model contains of 13 water and 13 sediment compartments. All the
water and sediment subcompartments are considered to be homogeneous with respect to either
the chemical or to environmental conditions. These subcompartments are linked by various
intercompartmental transfer processes, like horizontal and vertical exchange flows and particle
settling flows from water to sediments.
2.2 MASS BALANCES FOR CARRIER PHASES
The movement of POPs in natural environment is associated with the movement of different
carrier phases, such as air, water and particulate organic carbon [POC; 4]. This indicates that the
mass balances for those carrier phases will affect the correctness of the predicted fate and
transport of POPs. Therefore it is important to correctly construct the mass balances for air,
water and POC within the modelled system.
2.2.1 Air
Because the mobility of air is really high, so in the POPCYCLING-Bråviken model only one
atmospheric compartment is considered, and the long term residence time (τA) is assumed to be
constant at 24 hours, which is considered to reasonably reflect the real situation for such a
relatively small area. The initial height (H) of atmospheric compartment is assumed as 6000
meters, and it is user-specifiable. The air inflow and outflow rates can be derived accordingly:
(km2) is the total area of water surface that underlies the atmospheric compartment.
where
and
represent the air inflow and outflow in unit of km2/h, respectively. All the
default atmospheric parameters are included in Table A3.
2.2.2 Water
Water is a key carrier phase which links all the model subcompartments, so it is important to set
up mass balance for water correctly based on the following equation
where G represents the water fluxes in unit of m3/h, and the subscripts indicate the water flow
directions.
The data used for constructing water balance are mainly extracted from the Baltic Hydrology,
Oceanography and Meteorology (HOME) expert system. In the HOME system, the whole
Bråviken area was divided into 6 water basins (Figure 3). In POPCYCLING-Bråviken model,
similar zonation scheme is adopted, besides the inner Bråviken water basin (B006) is further
divided into three bays, i.e. Loddby, Pampus and Inner Bråviken Bay (Figure 1). The water
basins are considered to be connected by horizontal water flows through water sounds.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Furthermore, the water compartments are further divided into surface and deep parts vertically
except the Loddby, Svensksund and Ållonö Bay of which water depth is too low. Detailed
information extracted from the HOME system can be found in Attachment A. If user wants to
know how the extracted data were processed, user can contact the model developer to get an
Excel file with details.
According to Omstedt et al. [5], the yearly average precipitation and evaporation rate in Bråviken
Bay is set to equal to 559 mm/year and 543 mm/year, respectively. The downwelling and
upwelling velocity of water between surface and deep layers is assumed to be 9 m/year, which is
based on professional judgement. A pictorial representation of the long term water balance used
in the POPCYLING-Bråviken model is shown in Figure 5.
Inner
Bråviken
B006
S007
Svensksundsviken
B007
S006
Middle
Bråviken
B004
S005
Ållonö Bay
B005
S004
Outer
Bråviken
B003
S003
S001
Coastal
Bråviken
B001
S024
Baltic
Sea
S008
S025
Figure 3 Sketch map showing the zonation of Bråviken area in HOME system (S indicates water
sound; also see Attachment A).
2.2.3 POC
Particulate organic carbon (POC) is another important carrier phase which could determine the
fate of persistent organic pollutants (POPs). Especially some POPs tend to attach to organic
materials badly due to large log KOW values. Therefore, the advective flow of particulate organic
carbon (POC) between compartments will directly affect the movement of POPs attached to
them, so it is necessary to derive the POC balance.
As shown in Figure 4, for constructing the POC balance, it is necessary to have all the relevant
POC fluxes explicitly defined (also see Table 1):
•
•
•
•
•
•
Advective inflow of POC from neighbouring compartment or outflow to neighbouring
compartment
POC primary production within water compartment
POC settling from surface water to deep water compartment
POC mineralization within water compartment
POC sedimentation and resuspension between water and sediment compartment
POC burial flux leaving from sediment compartment
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Figure 4. A pictorial representation of particulate organic carbon mass balance for the Inner
Bråviken.
2.3 PHYSICAL-CHEMICAL PROPERTIES
The fate and transport of a chemical substance will also be determined by the physical-chemical
properties. The key physical-chemical properties required by the model can be categorized into
three groups, i.e. properties of pure substances, partitioning properties and reactivity properties
[
Attachment A; 4]. For the simulation of phase partitioning between air, water and organic phases
(e.g. POC), three partition coefficients are used, i.e. KOW the octanol-water partition coefficient,
KOA the octanol-air partition coefficient, and KAW the air-water partition coefficient (also see
Section 2.5). The fundamental properties of a pure substance required by the model refer to
molar weight, toxic equivalence factor, enthalpy of fusion. The molar weight is used for unit
conversion. In terms of toxicity, toxic equivalence factor (TEF) has been developed by the
World Health Organization (WHO), and widely used to facilitate the exposure and risk
assessment of certain toxic chemicals, such as dioxins and PCBs. On purpose TEF is included in
the POPCYCLING-Bråviken model for addressing risk issue. The enthalpy of fusion is used to
rectify partition coefficients between different phases.
Obviously, the persistence and reactivity are key for determining the fate of POPs in the
Bråviken environment. Therefore, for the calculation of various environmental rate constants,
the model requires certain properties, like the degradation half-lives and activation energy.
Especially for the degradation of vapour phase chemicals, the hydroxyl radical (HO·)
concentration is also required by the model.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Table 1. Parameters and equations used for defining POC balance of one generic surface water compartment.
Equations
POC inflow from upstream surface water compartment
POC inflow from downstream surface water compartment
POC inflow from local deep water compartment
POC outflow to upstream surface water compartment
POC outflow to downstream surface water compartment
POC outflow to local deep water compartment
POC primary production in local water compartment
POC mineralization within surface water compartment
POC resuspension
POC deposition
POC mineralization within sediment compartment
POC burial in sediments
Comments
oG represents
POC fluxes
unit of m3/h;
represents wa
flow rate in u
of m3/h; C her
used to repres
the concentrat
of POC in wa
compartments
unit of g/
DNoc is
density of orga
matter, i.e.
g/m3; A (m2)
the area of wa
compartments;
BP is the prim
biological
productivity
water
compartments
unit
of
Carbon/(m3·ye
The subscript x
used to refer
the specific wa
compartment.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Figure 5 A pictorial representation of the long term average water balance for Bråviken area (m3/h).
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
2.4 ENVIRONMENTAL PROPERTIES
Area and volume
The areas of water compartments (ARW) were estimated through ArcGIS (version 9.3.1) based
on land map which is downloadable from the Swedish Digital Map Library (www.metria.se), and
the areas of accumulation bottom (ARS, i.e. sediment compartments) were estimated by the
AquaBiota Water Research based on classified maps. The water volume (VOW) is estimated
based on hypsographical data from the Swedish Meteorological and Hydrological Institute
(SMHI). The depth of sediment is assumed to be 5 centimetres. Details can be obtained from
the developer of the POPCYLING-Bråviken model.
Temperature
Temperature (T) is one of the most important environmental parameters which have great
influences on the fate of POPs. It does not only affect the partitioning behaviour of the POPs
between different phases (i.e. through affecting the three partition coefficients), but also
influence the degradation rates of the POPs in various environmental phases.
In the POPCYCLING-Bråviken model, different temperatures are defined for different
compartments, i.e. the atmosphere, and the surface and deep water compartments. The
temperature of sediment compartments are assumed to be equal to the temperature of
corresponding water compartments, such as, the temperature of surface sediment and water are
set to equal.
All the temperature data used by the POPCYCLING-Bråviken model were extracted from the
HOME system and processed to yield monthly averaged values for different compartments of
the model. These monthly temperature data were saved as text files which are read by the model
at the start of the program. In the model, monthly temperature is converted into daily
temperature through linear interpolation [4]. Users are recommended to read through Attachment
D to know how to create personalized input files.
Wind speed
Wind speed (WS) data were also extracted from the HOME expert system and processed to yield
monthly averaged values. Since the POPCYCLING-Bråviken model only considers one
atmospheric compartment, the averaged wind speed values for sub-compartments are lumped
for only one atmospheric compartment. The monthly values are also saved as text files which are
read by the model at the start of the program, and in the model the values are linearly
interpolated. The data are used to calculate the air-water-exchange mass transfer coefficients
[
MTCs; 4].
POC concentrations
There is a scarcity of available data for the POC concentration in the Bråviken environment.
Only some data for the total organic carbon (TOC) content were extracted from the HOME
system for the inner and outer parts of Bråviken. The POC concentration was assumed to be
10% of the TOC at those areas. Based on the derived water balance, the POC concentrations for
the other parts of Bråviken were also estimated (see Attachment A).
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
2.5 FATE AND TRANSPORT OF COMPOUNDS IN THE MODEL
Similar to previous fugacity-based multimedia models, the POPCYCLING-Bråviken model
inherited the same expression of phase partitioning, i.e. partitioning is described by fugacity
capacities (Z values). Fugacity capacity is used to represent the chemical containing capacity of
specific environmental compartment, and it is both temperature and chemical dependent. Figure
6 summarizes the relationships between fugacity capacities and partition coefficients.
Figure 6 Relationships between fugacity capacities and partition coefficients.
2.5.1 Phase Partitioning
In principle, fugacity capacities and partition coefficients are correlated (Figure 6). The
POPCYCLING-Bråviken model first calculates the fugacity capacity for air (ZA) at different
temperature according to [6]:
where R represents the ideal gas constant (8.314 m3 Pa K-1 mol-1), and T represents the
temperature (K) of different environmental compartments.
After the calculation of ZA, the other fugacity capacities can be estimated according to the
correlations shown in Figure 6 and equations listed in Table 2. Users are requested to input at
least two out of the three phase partition coefficients (i.e. KAW, KOW and KOA), the third partition
coefficient will be estimated as the quotient of the other two.
The model is designated to simulate the fate of POPs in real situations, so the temperature
dependence of physical-chemical properties is of high importance. For temperature correction of
partition coefficients, a modified van’t Hoff equation is adopted [7]:
where K’ represents the partition coefficients at reference temperature (25 ◦C), ∆H is the heat of
phase transfer, and T is the temperature of a specific environmental compartment.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Table 2 Parameters and equations used for calculating fugacity capacities and partition
coefficients.
Phase
Air
Water
Octanol
Aerosol
POC
Equations
ZA=1/RT
ZW=ZA/KAW
ZO=KOW*ZW
ZQ=3.5*KOA*ZA
ZPOC=ZW*KPOC
Comments
- KPOC=0.35*KOW
- Two of KAW, KOW, KOW are user-entered.
2.5.2 Physical and Chemical Processes
In the POPCYCLING-Bråviken model, D values (mol/Pa·h) are continuously used to describe
various rates of transport and transformation of POPs. It is generally calculated as:
where G (m3/h) can mean the transfer rate of the carrier medium or the transformation rate, Z
indicates the corresponding fugacity capacity.
Advection
The advection D-values for the atmospheric compartment are simply calculated as the product
of the fugacity capacity and the advective flow rate of the air as
The fugacity capacities of incoming and outgoing air are set to be equal and calculated according
to equation list in Table 2.
The advection D-values for the water compartments are calculated in the same way:
Diffusion
According to the standard two-film theory, the diffusive transport between air and water
compartments is calculated according to the following equations [8]:
where U1W and U2W (m/h) represent the two mass transfer coefficients in series over the air-side
and water-side, respectively. DWA_diffusive is the water-air diffusion rate, and WS indicates the wind
speed (m/h). Details refer to Schwarzenbach et al. [8].
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
The same approach for quantifying the diffusive transport between water and sediment is
followed in this model [4], i.e. quantified with the help of a diffusive mass transfer coefficient U8
where VFSS is the volumetric fraction of solids in sediment, and hS (m) is the depth of the
sediment compartment. DWSd is the water-sediment diffusive transport rate which is equal to the
sediment-water diffusive transport rate (i.e. DSWd).
Degradation
The chemical degradation rate (kRref; h-1) at reference state (i.e. at 25 ºC) is calculated from userentered half-life time (HL1/2; h):
At a specific environmental temperature, the degradation of chemicals in air, water and sediment
is quantified in different manner. In the atmospheric compartment, the gaseous phase chemicals
is considered to react with hydroxyl radicals, and the reaction rate kRA is calculated as [8]:
where kRAref is the reference degradation rate, [OH] is the concentration of hydroxyl radicals, and
AEA is the activation energy.
In the other environmental media (e.g. water and sediment), the degradation rate is calculated as:
2.5.3 The mass balance equations
In the POPCYCLING-Bråviken model, for quantifying the mass balance of chemicals the
following differential equation is used:
where M(t) is the amount of the chemical in an environmental compartment at time t, in unit of
mol, V (m3) is the volume of the environmental compartment, and Z(t) and f(t) are the fugacity
capacity and fugacity at time t, respectively. Nin(t) and Dtot.out(t)×f(t) represent the total chemical
input and output rate of the environmental compartment at time t. Based on the above mass
balance equations, the following calculation procedure is achieved in the model (Figure 7).
Figure 7 Schematic diagram showing the computation procedure of mass balance equations.
Z(t=0)
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
3. DESCRIPTION
OF
CREATING
INTERPRETATION OF RESULTS
SCENARIO
AND
This chapter aims to introduce user how to edit and display the environmental parameters, how
to create user-defined scenario, and how to export the model output by different means. User
can also get information by clicking help buttons.
3.1 EDIT AND DISPLAY ENVIRONMENTAL PARAMETERS
Under the main menu named as “Environmental Parameters”, several sub menus are developed
for editing the values for the environmental parameters used in the POPCYCLING-Bråviken
model (Figure 8). Since some environmental parameters are key to the mass balance of specific
environmental media, so they may not be editable. Here, user can also display the model
parameters either on a schematic map or in an overview graph.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Figure 8 Menus and submenus for editing and displaying the environmental parameters
3.2 CREATING SCENARIO USING MENUS
In the beginning, under the menu for defining scenario, all sub menus are disabled except the
sub menu for inputting chemical properties (Figure 9). For performing any simulations, the first
step is to input values for physical-chemical properties (Figure 10), i.e. the partitioning
coefficients, heats of phase transfer, and degradation half-lives (also see Table A2). It is also
feasible to select chemicals (e.g. PCB 28) which have already been incorporated in the model
database. User can also create their own chemicals and save them in the model database for
reuse in the future. After all the required physical-chemical properties are edited, the sub menu
for inputting enhanced sorption factor will be enabled automatically (Figure 11).
Figure 9 Menus for defining scenarios.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Figure 10 Window for editing the chemical’s physical-chemical properties.
Figure 11 Window for editting the enhanced sorption factor to organic carbon.
User is required to input the enhanced sorption factor for the researched chemicals (Figure 11).
This function is specially tailored for simulating the fate of chemicals which can exhibit greater
sorption ability to organic carbon. If the user does not want to use this function, it is
recommended to set the factors as default values, i.e. 1.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Figure 12 Window for editing the initial atmospheric concentrations of POPs and seasonality of
changes.
After inputting the enhance factor, the following step is to input the initial concentrations of
pollutants in the air and define how the concentrations will change with time (Figure 12). User
can also define the seasonality of the variations associated with the air concentration. For
example, if Change_begins_at_Year is set to be 10, the Fraction_of_Initial is set to be 0.1, the
changing period is set to last 10 years, and the simulation is set to start in year 1961 (will be set in
later), it means the atmospheric concentrations will start to decrease in 1970, and after 10 years
(i.e. till year 1979) the concentration will be 0.1 of the initial concentration.
Figure 13 Window for editing the initial concentrations in water and sediment.
In addition to air concentrations, use is required to specify the initial concentrations for all of the
water and sediments. As shown in Figure 13, user can either directly select the all zero option to
set all the concentrations to be zero or select a specific file containing the initial concentrations
for the water and sediment compartments. Selecting the “select file” option user will be
prompted to select a specific text file (Figure 14). The text file contains the initial concentrations
in water and sediments. In the text file, user is free to assign values to the initial concentrations.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Obviously, if user assigns zero values, it could mean that the user does not have any data for
those specific compartments. Furthermore, user must strictly follow the Attachment D to create
space delimited text files (also see Table D1). If user does not choose any option, user can
manually enter the concentrations for water and sediments. Note that every time user reloads
this window, all the initial concentrations will be set to be zero which means all the previous
inputted initial concentrations have be erased from the computer memory, and user must input
the concentrations again, otherwise all the initial concentrations will be zero.
Figure 14 Window for selecting the initial water and sediment concentrations.
After entering the initial chemical concentrations in the water and sediments, the following step
is to define the yearly total chemical inflows. After clicking the corresponding sub menu, user
will be prompted to select a text file which contains the yearly concentrations (Figure 5 and 15).
Note that here the data are for yearly inflow rates, i.e. kilogram per year, and not for inflow
concentrations.
There are some dredging activities in the Pampus Bay. It is believed that dredging activities will
first lead to elevated POC concentration in Pampus Bay, and then the POC concentrations in
neighbouring bays will be elevated by certain factors because of water exchanges. However,
quantifying dredging activity in a dynamic way is beyond of this work. In the POPCYCLINGBråviken model this problem is simplified as that the dredging activity will ultimately lead to
elevated POC concentration across the whole Bråviken, i.e. all the default POC concentrations
will be enlarged by a same factor (Figure 16).
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Figure 15 Window for selecting the file containing yearly data for total chemical inflows.
Figure 16 Window for defining dredging activity.
As shown in Figure 16, in the POPCYCLING-Bråviken model it is also possible to specify in
which month the dredging activity will be performed and how many months will last. Note that
the starting month is limited to be May or any month after May. Furthermore, user can also
specify at what year the dredging activity will start and how many years the dredging activity will
be performed.
If user wants to check how the POC concentration profile will look like following, it can be
simply achieved by clicking the corresponding button which was designed for outputting the
fluxes and inventories (Figure 25 and Attachment).
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Figure 17 Window for defining an emission scenario.
After defining dredging activities, it is required to define the emission scenario. As shown in
Figure 17, in default it is assumed that there is no emission neither to the surface water
compartments nor the atmospheric compartment. If there is no emission information available,
user can directly click the “OK” button to skip this step. If there are available data for emissions,
user must first unselect the “No emits” option and specify an emission data file (also see Figure
18), thereafter user can create various emission scenarios through editing a number of
parameters, such as scaling factors for annual emissions to the water compartment. Note that
user must also follow the procedure described in Attachment D to create an emission file (also
see Table D1).
Figure 18 Window for selecting an emission file.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
After creating a personalized scenario, the model conditions frame will pop up (Figure 19). User
can specify what year the simulation will end in, and how large the time step for simulation or
results storage. After clicking the start numerical solution button, model will start to perform a
simulation, and one window will pop up to display the total simulation time in years and time
simulated until now (Figure 20).
Figure 19 Window for editing model conditions.
Figure 20 Window displaying numerical progress.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
3.3 CREATING SCENARIO BY EDITING INPUT FILES
It is also possible to create scenarios by manipulating the input files which contain the data for
different parameters such as temperature and wind speed. For this purpose it is necessary to
create space delimited text files (Attachment D).
3.4 DESCRIPTION OF OUTPUT DATA
After the numerical process, the menu named as “simulation results” will be enabled. User can
click various sub menus either to examine or output the results (Figure 21 to 25). As shown in
Table 3 and Figure 21, model results can be displayed in table format for all subcompartments of
the model. This window summarizes the most essential and important model results. User can
display the values for environmental temperature and phase residence times. Furthermore, user
can also examine the model calculated values for certain properties, such as Henry’s law constant,
bulk-Z values, degradation half-lives and D values for reactive processes, which are considered
to be have great influences on the fate and transport of POPs of interest. In addition, through
this window user can also examine some key model predictions, such as the predicted fugacities,
concentrations and total amounts in the corresponding subcompartments.
Table 3. Summary of displayed model results (at each results storage time point) corresponding
to Figure 21.
Menu
Environment
Sub Menus
Comments
Temperature
in ºC
Phase residence time
Only due to advection, in hours (air), in days
(water), and in years (sediment)
Emissions
User defined emissions in kg/h
Henry’s law constant
Model calculated HLC in (Pa m3)/mol
Bulk-Z values
Model calculated Z values for bulk phases in
mol/(Pa m3)
Degradation half-lives
Calculated half-lives from user entered halflives (25 ºC)
Reaction D-values
Model calculated D-values in mol/(Pa h); D
=G×Z
Fugacities
in Pa
Concentrations in bulk phases
in g/m3
Concentrations in g/g solid phase
For aerosol and sediments, in g/g Particles
Amounts
Total amounts in kg
Reaction rates
Degradation losses, in kg/h
Atmospheric deposition fluxes
in kg/h
Volatilization fluxes
in kg/h
Model Parameters
Results
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Figure 21 Window for displaying results in table format.
As shown in Table 4 and Figure 22, this window will only show the model results which are
related to the atmospheric compartment. For example, clicking the “chemical” menu, user can
examine the predicted fugacity, bulk-Z value, total amount, and chemical concentrations either in
bulk air or sorbed onto aerosol. Clicking the “fluxes” menu, user can examine the model
predicted chemical degradation, volatilization, deposition, net exchange between the atmosphere
and water, and advective exchanges with the outside world. User can examine the previous or
following results at different results-storage time point by clicking the command button. Note
that each display is a snapshot of the model system which could be at either a steady or a nonsteady state. This also indicates that the mass balance could either balance or unbalance.
Similar with the window just described, one window is designed to only show the model
predictions which are mainly related to the aquatic environment (Table 5 and 6, and Figure 23
and 24). The model predicted values can be displayed on either a schematic map or in a flow
chart for all the parts of Bråviken.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Table 4. Summary of displayed model results (at each results storage time point) corresponding
to Figure 22.
Menu
Environment
Chemical
Fluxes
Sub Menus
Height
Volume
Volume fraction aerosols
Temperature
Advection rates
Air residence time
OH concentration
Bulk air-Z values
Air fugacity
Amount in air
Concentration in bulk air
Concentration on aerosols
Degradation
Deposition
Volatilization
Net air-surface exchange
Atmospheric advection
Comments
in m
in km3
%
in ºC
in km3/h
in hours
OH radicals in molecules per cm3
in mol/(Pa m3)
in Pa
in kg
in g/m3
in g/g aerosol
D-values in mol/(Pa h); rates in kg/h and
kg/year; cumulative amounts in kg and ng
rates in kg/h and kg/year; cumulative amounts
in kg and ng
D-values in mol/(Pa h); rate in kg/h;
cumulative amount kg
Figure 22 Window for displaying the atmospheric results on a schematic map.
Table 5. Summary of displayed model results for water and sediment compartments (at each
results storage time point) corresponding to Figure 23.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Menu
Environment
Chemical
Fluxes
Sub Menus
Depth
Area
Volume
Organic carbon
Organic carbon
Water temperature
Water residence time
Bulk Z values
Fugacity
Amounts
Concentrations
Emissions to surf water
Atmospheric deposition
Volatilization
Net air-water exchange
Degradation in water
Degradation in sediments
Sedimentation
Resuspension
Net water-sediment exchange
Sediment burial
Comments
in m
in km2
in km3
POC concentration in water in g/m3
Mass fraction of OC in sediment solids in g/g
in ºC
in days
in mol/(Pa m3)
in Pa
in kg
in bulk water in g/m3; on suspended POC in
g/(g POC); fractions sorbed on POC in
percent; in bulk sediment in g/ m3; in
sedimentary POC in g/(g POC)
rates in kg/h; cumulative amount in kg
See Table 4
D-values in mol/(Pa h); rates in kg/h and
kg/year; cumulative amounts in kg and ng
rates in kg/h and kg/year; cumulative amounts
in kg and ng
D-values in mol/(Pa h); rates in kg/h and
kg/year; cumulative amounts in kg and ng
Table 6. Summary of displayed model results for water and sediment compartments in a flow
chart format (at each results storage time point) corresponding to Figure 24.
Menu
Environment
Chemical
Sub Menus
Water fluxes
POC fluxes
D values
Chemical fluxes
Cumulative chemical fluxes
Comments
in km3
in kt/year
in mol/(Pa h)
in kg/h or kg/year
in kg or tons
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Figure 23 Window for displaying the modelling results in the aquatic environment.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Figure 24 Window for displaying the predicted chemical fluxes between the water compartments.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Figure 25 Window for outputting the modelling results.
Clicking the last sub menu will prompt the user to be able to output the modelling results into
separated files (Figure 24). Users are recommended to refer to Attachment C for detailed
descriptions of output files.
4. FUTURE DEVELOPMENT
Empirical data
In the POPCYCLING-Bråviken model, large amount of empirical data were used, such as data
used for building up the mass balances of water and POC, and all the fractions of mineralization,
deposition and resuspension of POC in the water column. Those parameters can have great
influences on the predicted fate of chemicals in the Bråviken environment. In the future,
experimental data may be obtained and used in the model.
Terrestrial environment
Depending on characteristics the terrestrial environment can actually act either as a source or a
sink of persistent organic pollutants which enter the aquatic environment with runoff or
volatilize to the atmosphere. For example, at mountainous areas the snow or ice can act as a
source with pulse discharge of archived chemicals during the spring melting time period. In
heavy forested areas the terrestrial can act as a sink either to adsorb volatile chemicals or to
retain chemicals tending to adsorb to soils. At urbanized locations where persistent chemicals are
used in large quantity the released chemical can easily enter waste water and be discharged into
rivers or lakes. The Bråviken terrestrial environment consists of both urbanized and heavy
forested area. The upstream of the Motala river locates in mountainous area. Furthermore,
terrestrial environment can also act as an important supplier of particulate organic matter to the
aquatic system which could have great influences on the fate of some persistent organic
pollutants. However, in this version of the POPCYCLING-Bråviken model, only the
atmospheric and aquatic environments were considered, and the terrestrial environmental was
entirely excluded from the model structure. Therefore, if there are enough data available for
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
defining the Bråviken terrestrial environment at a river basin scale, such as for classifying the
land use and specifying the soil property, the terrestrial environment should be added in the
future development of the POPCYCLING-Bråviken model.
Historical Data
Currently, there is no historical data for the emissions found in any peer-reviewed literature for
this area, and the measured data for chemical concentrations in specific compartments of this
area are also very sparse. Therefore, it is not possible to perform any validation or calibration to
improve the model.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
REFERENCES
[1]
A. Palm, I. T. Cousins, D. Mackay, M. Tysklind, C. Metcalfe, M. Alaee, Assessing the
environmental fate of chemicals of emerging concern: a case study of the polybrominated
diphenyl ethers. Environ. Pollut. 2002, 117, 195.
[2]
F. Wania, D. Mackay, The evolution of mass balance models of persistent organic
pollutant fate in the environment. Environ. Pollut. 1999, 100, 223.
[3]
M. Macleod, W. J. Riley, T. E. McKone, Assessing the influence of climate variability on
atmospheric concentrations of polychlorinated biphenyls using a global-scale mass balance
model (BETR-global). Environmental Science & Technology 2005, 39, 6749.
doi:10.1021/es048426r
[4]
F. Wania, J. Persson, A. Di Guardo, M. McLachlan, The POPCYCLING-Baltic Model.
A Non-Steady State Multicompartment Mass Balance Model For The Fate Of Persistent Organic
Pollutants In The Baltic Sea Environment. NILU OR 10/2000. 2000.
[5]
A. Omstedt, L. Meuller, L. Nyberg, Interannual, Seasonal and Regional Variations of
Precipitation and Evaporation over the Baltic Sea. Ambio 1997, 26, 484.
[6]
D. Mackay, Multimedia Environmental Models: The Fugacity Approach (Second
Edition). CRC Press Taylor & Francis Group 2001.
[7]
A. Beyer, F. Wania, T. Gouin, D. Mackay, M. Matthies, SELECTING INTERNALLY
CONSISTENT PHYSICOCHEMICAL PROPERTIES OF ORGANIC COMPOUNDS.
Environ. Toxicol. Chem. 2002, 21, 941.
[8]
R. Schwarzenbach, P. M. Gschwend, D. M. Imboder, Environmental Organic Chemistry,
second ed. Wiley Interscience, New Jersey. 2003.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
ATTACHMENT A ENVIRONMENTAL
CHEMICAL PROPERTIES
AND
PHYSICAL-
TABLE A1 MEAN FLUXES AND CPOC DATA EXTRACTED FROM THE HOME
SYSTEM
Model mean fluxes between the Bråviken basins
1995-2006
1985-2005
Basin Through Sound Q-inflow(m3/s) Q-outflow(m3/s) Cpoc (g/m3)
B007
S007
84
85
B006
S006
453
564
0.0539
B005
S005
33
34
B004
S004
501
613
S003
930
987
B003
0.0539
S024
378
434
S001
3451
3451
S025
9039
9153
B001
S008
567
510
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
TABLE A2 PHYSICAL-CHEMICAL AND DEGRADATION PARAMETERS FOR PCBS INTEGRATED IN THE POPCYCLINGBRÅVIKEN MODEL.
Chemical
PCB-105 PCB-118
Property
PCB-28
PCB-52
PCB-101
MW
257.54
291.99
326.43
326.4
logKOW
5.67
5.95
6.38
logKAW
-1.93
-1.96
logKOA
7.6
deltaHOW
Comment
PCB-138
PCB-153
PCB-180
326.4
360.9
360.9
395.3
6.65
6.65
7.19
6.86
7.15
-2.08
-2.39
-2.36
-1.97
-2.13
-2.51
7.91
8.46
9.04
9.01
9.16
8.99
9.66
-21000
-27500
-19300
-27000
-24500
-24500
-26600
-26100
deltaHAW
61800
53800
65200
67200
65200
64700
68200
69000
deltaHOA
-82800
-81300
-84500
-94200
-89700
-89200
-94800
-95100
HLAir
1.04E-12
5.9E-13
3E-13
3E-13
3E-13
1.6E-13
1.6E-13
1E-13
HLFwWat
5500
30000
60000
17000
60000
120000
120000
240000
HLFwSed
17000
87600
87600
55000
60000
165000
165000
330000
AEAir
10000
10000
10000
10000
10000
10000
10000
10000
AEFwWat
30000
30000
30000
30000
30000
30000
30000
30000
AEFwSed
30000
30000
30000
30000
30000
30000
30000
30000
Molar weight, in unit of g/mol
Log value of octanol-water, airwater and octanol-air partition
coefficient, dimensionless
Heat of phase transfer between
octanol and water, air and water,
and octanol and air, in units of
J/mol
Reaction rate of vapor phase
chemical with OH radicals, in unit
of cm3/(molecules · s)
Degradation half-lives in water and
sediment at reference temperature
(25), in units of hours
Activation energies used for
deriving temperature-dependent
degradation rates in air, water and
sediment, in units of J/mol
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
TABLE A3 DEFAULT ATMOSPHERIC PARAMETERS.
Parameter
Temperature (K)
Height of the atmosphere (m)
Particle scavenging ratio
Dry particle deposition velocity
(m/h)
Volume fractions of aerosols in air
Volume fractions of aerosols in
inflowing air
Mean annual precipitation rate
(mm/year)
Evaporation as fraction of
precipitation
Density of organic carbon (g/m3)
Density of aerosol particles (g/m3)
Air-side air-water MTC (m/h)
Advective residence time in air (h)
Density of organic carbon (g/m3)
Bulk volume (km3)
Mean annual evaporation rate
(mm/year)
Air inflow and outflow (km3/h)
Symbol
TK
H
SCVG
Value
Monthly or long term average
6000
68000
Reference or Comments
DDVW
1.03
User specifiable
VFSA
2.00E-12
VFSAut
2.00E-12
PtW
559
frUW
97.14%
DNoc
DNq
1.00E+06
2.00E+06
20
10
1.00E+06
3129
Empirical data
543
Automatically calculated
DNoc
V
aGin/aGout
0.05215
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
TABLE A4 DEFAULT PARAMETERS FOR WATER COMPARTMENTS.
Parameter
Estimated
mean water
depth (m)
Estimated
mean water
area (km2)
Estimated
volume (km3)
Primary
productivity (g
C/m3 y)
POC
concentration
(mg/L)
POC
mineralization
in water
column
(fraction of
input)
Loddby
Bay
Pampus Bay
Inner Bråviken
Outer
Bråviken
Middle Bråviken
Coastal Bråviken
Svensksund
Bay
Allöno
Bay
surface
surface
bottom
surface
bottom
surface
bottom
surface
bottom
surface
bottom
surface
surface
2.0
7.5
6.5
7.5
6.5
6.6
10.9
8.5
10.3
8.7
12.1
1.7
2.0
4.00
15.00
6.88
36.00
16.51
16.03
6.26
46.15
33.04
390.22
280.69
10.24
3.84
0.00489
0.11085
0.04400
0.27294
0.10833
0.10648
0.06838
0.39522
0.34059
3.41783
3.40549
0.01751
0.00729
60
60
60
60
60
60
60
60
60
121
121
60
60
0.539
0.539
0.539
0.539
0.539
0.489
0.489
0.489
0.489
0.361
0.361
0.539
0.489
0.30
0.30
0.30
0.30
0.30
0.30
0.30
0.30
0.30
0.73
0.73
0.30
0.30
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
TABLE A5 DEFAULT PARAMETERS FOR SEDIMENT COMPARTMENTS.
Parameter
Depth (m)
Area of
accumulation
bottom (km2)
Mass fraction
of OC in
sediment solids
Volume
fraction of
solids in
sediment
POC
resuspension
intensity
(fraction of
deposition)
POC
mineralization
in the sediment
(fraction of
input)
Bioturbation
diffusivity
(m2/h)
Loddby
Bay
Pampus Bay
Inner Bråviken
Middle Bråviken
Outer Bråviken
Coastal Bråviken
Svensksund
Bay
Allöno
Bay
surface
surface
bottom
surface
bottom
surface
bottom
surface
bottom
surface
bottom
surface
surface
0.05
0.05
0.05
0.05
0.05
0.05
0.05
0.05
0.05
0.05
0.05
0.05
0.05
0.510
5.269
2.671
4.773
17.138
3.546
1.679
0.631
10.291
0.08
8.154
1.959
1.161
0.04
0.04
0.04
0.04
0.04
0.04
0.04
0.04
0.04
0.54
0.54
0.04
0.04
0.20
0.20
0.20
0.20
0.20
0.20
0.20
0.20
0.20
0.13
0.13
0.20
0.20
0.56
0.56
0.56
0.56
0.56
0.56
0.56
0.56
0.56
0.56
0.56
0.56
0.56
0.32
0.32
0.32
0.32
0.32
0.32
0.32
0.32
0.32
0.99
0.99
0.32
0.32
1.00E-10
1.00E10
1.00E10
1.00E10
1.00E10
1.00E10
1.00E10
1.00E10
1.00E10
1.00E10
1.00E10
1.00E-10
1.00E10
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
TABLE A6 DEFAULT VALUES FOR THE CONCENTRATIONS OF POC IN WATER COMPARTMENTS AND INFLOWS.
Area
Loddby
Pampus
Inner Bråviken
Middle Bråviken
Outer Bråviken
Coastal Bråviken
Svensksunds
Allono
surf
surf
deep
surf
deep
surf
deep
surf
deep
surf
deep
surf
surf
Average Depth
(m)
2.0
7.2
6.2
7.2
6.2
6.6
10.9
8.5
10.3
8.7
12.1
1.7
2.0
Area (m2)
2443028
15467449
7094654
38082909
17467977
16202132
6260000
46660606
33040000
391105778
280690000
10492434
3656823
Residence
time (days)
4.98
5.41
2.41
5.12
3.58
1.68
2.05
4.45
4.28
5.54
5.53
2.38
2.48
Cpoc (g/m3)
0.0539
0.0539
0.0539
0.0539
0.0539
0.0539
0.0539
0.0539
0.0539
0.0539
0.0539
0.0539
0.0539
Cpoc (g/m3)
CWinW2
CWinB2
0.0539
0.0539
CWinW5
CWinB5
CWinW6
CWinB6
CWinW7
CWinW8
0.0539
0.0539
0.0540
0.0539
0.0559
0.0550
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
ATTACHMENT B EXAMPLES
EXAMPLE B1 SIMULATION OF THE RELEASE OF PCBS FROM BRÅVIKEN
SEDIMENTS (ONLY WITH INITIAL SEDIMENT CONCENTRATIONS; UNREALISTIC
SCENARIO)
This example is based on measured sediment concentrations of PCB 28, 101 and 180 in July
of 2010, and it intends to show how the PCBs will distribute in the Bråviken environment
from 2010 when sediment compartments are acting as sources.
1st Input chemical properties of PCB-28
Chemical name
Molecular mass
TEF
Log Kow
Log Kaw
dHow
dHaw
In air
In water
Half-lives
In
sediment
Activation
In air
energy
In water
In
sediment
PCB-28
257.54
1
5.67
-1.93
-21000
61800
1.04e-12
5500
17000
PCB-101
326.43
1
6.38
-2.08
-19300
65200
3e-13
60000
87600
PCB-180
395.3
1
7.15
-2.51
-26100
69000
1e-13
240000
330000
10000
30000
30000
10000
30000
30000
10000
30000
30000
2nd Input enhanced sorption factors
OC sorption factors
In Water
1
In sediment
1
3rd Input initial air concentration and define changing patterns
Initial
Cair
0
Change
at Year
0
begins Fraction
initial
0
of After
years
0
Amplitude
seasonality
0
of Month of reaching
peak levels
0
4th Input initial water and sediment concentrations of PCB-28 measured in July of 2010
The original data was in mg/kg (solid weight). Take the concentration PCB-28 in Loddby
sediment as an example, the original data was processed as
There is no data for the water compartments. The original data was only available for some
sediment compartments of the researched area, i.e. Loddby and Pampus Bay, and Inner,
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Middle and Outer Bråviken. There is no discretization between surface and deep sediments.
Therefore, the concentrations of surface and deep sediments are assumed to be equal.
Original data:
Original data
(mg/kg TS)
PCB 28
PCB 101
PCB 180
Loddby
Pampus
Inner
Middle
Outer
Others
0.005
0.006
0.003
0.00069
0.00063
0.00088
0.0003
0.0005
0.0005
0.0001
0.0002
0.0003
0.0002
0.0004
0.0009
No data
Processed data:
ng/m3
PCB 28
PCB 101
PCB 180
Loddby
5.00E+00
6.00E+00
3.00E+00
Pampus
6.90E-01
6.30E-01
8.80E-01
Inner
3.00E-01
5.00E-01
5.00E-01
Middle
1.00E-01
2.00E-01
3.00E-01
Outer
2.00E-01
4.00E-01
9.00E-01
Others
No
data
The processed data were saved in three space delimited text files and named as “PCB28_20100701”, “PCB-101_20100701” and “PCB-180_20100701” (see initCdata folder).
5th Specify the inflow profiles
There is no data for the concentrations of PCB 28, 101 and 180 in all the inflow waters. The
simulation will start in year 2010, and last for 50 years.
6th Input emission parameters
There is no data available for emissions to any water compartment.
7th No dredging activity
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
9th Model conditions
10th Output results
As stated in Chapter 3, user can display the results in table or on a schematic map. In this
example, we prefer to output the results into text files.
8th Interpret results
For this example, all the text output files were included in the installation package and will be
automatically installed in the example folder named as “Ex1”, with which users can compare
their reproduced results. Here, only the predicted concentrations of PCB 28 in some water
and sediment compartments are shown, i.e. (see Figure Ex1.1 and 1.2). For intercomparison
of three PCBs, Figure Ex1.3 also shows the predicted concentrations of PCB 101 and 180 in
the surface sediments of Loddby and Svensksund Bay.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
In this example, the sediment compartments with measured data available are expected to
act as sources of PCBs to all the water compartments all the time (Figure Ex1.2 (a) and (b)),
and all the water compartments will first act as recipient of released chemicals, and then
deplete the chemical inventories (Figure Ex1.1). Obviously the sediment compartments
without initial data for PCBs will first act as sinks and then act as sources (Figure Ex1.2 (c)
and (d)). Because of varied characteristics different sediment compartments will need
different times for switching roles. For example, comparing the predicted concentrations of
PCB 28 in the surface sediment compartments of Inner and Outer Bråviken (Figure Ex1.2
(a)), it indicates that the surface sediment compartment of Inner Bråviken will act as a
relatively more important source of PCB 28 for a longer period. Comparing the predicted
concentrations of PCB 28 in the surface sediment compartments from Svensksund Bay and
Bråviken Coastal, it suggests that it will take more time for the Svensksund sediment to
become a source. The reason could be that the water exchange rates between Svensksund
and Inner Bråviken limit the chemical transport from Inner Bråviken to Svensksund Bay.
Furthermore, because the water flow rates are much higher than the chemical exchange rates
between water and sediment compartments, so it is expected that the concentrations of
PCBs in water compartments will reach peak values very fast, i.e. due to the short residence
times for water compartments ranging from about 2 days to 6 days (also see Table A6). As
shown in Figure Ex1.1, it takes around 50 days for the concentrations in water
compartments to reach peak values. Of course due to very slow release rates of chemicals
(mainly caused by diffusive exchange), it will take around half a year or even much longer for
the concentrations of PCBs in different sediment compartments to decrease to a very low
level (Figure Ex1.2).
As shown in Figure Ex1.3, it can be concluded that the physical-chemical properties can also
have great influences on the predicted fates of PCBs, such as the partitioning coefficients.
For example, the Loddby sediment will act as sources of PCB 28, 101 and 180 all the time,
however, due to varied abilities to attach to OC, the release rates of three PCBs are different,
i.e. different slopes of the curves. PCB 180 has the largest KOW values (i.e. strongest ability to
attach to OC), so the Loddby sediment will act as a source of PCB 180 for a longer period if
compared with PCB 28 and 101. PCB 28 has the smallest KOW values; correspondingly the
release rate of PCB 28 from Loddby sediment is the highest. Furthermore, the concentration
profiles of three PCBs in the Svensksund Bay also confirm the above conclusion. Due to
weakest ability to attach to OC, the surface sediment of Svensksund Bay will act as a source
of PCB 28 in the middle of 2012, however, due to relatively stronger abilities to attach to
OC, it will take longer time for PCB 101 and PCB 180 to start to release from the sediment,
i.e. in 2014 and 2017, respectively.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Figure Ex1.1 Predicted concentrations of PCB 28 in water compartments.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
(a)
(b)
(c)
(d)
Figure Ex1.2 Predicted concentrations of PCB 28 in sediment compartments: (a) Surface sediments in Inner, Middle and Outer Bråviken;
(b) Deep and surface sediments in Pampus Bay; (c) Surface sediments in Svensksund and Ållonö; (d) Surface sediment in Bråviken Coastal.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Figure Ex1.3 Comparison of the predicted concentrations of PCB 28, 101 and 180 in the
sediments of Loddby Bay and Svensksund Bay.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
EXAMPLE B2 LEVEL IV SIMULATION OF THE FATE AND TRANSPORT OF PCBS
IN BRÅVIKEN AREA (ONLY WITH MOTALA INFLOWS; UNREALISTIC SCENARIO)
1st Create yearly inflow rate profile for PCB 28 in Microsoft Excel
Substances always diffuse from area of high concentration to areas of low concentration
until equilibrium is achieved, where the concentration gradient is zero everywhere, i.e. the
concentration is constant in space and time. Here we provide an example to show how this
is expressed in the model and what the results may look like. The equation used in the model
for diffusion is:
where C and M are the concentration (mg/m3) and the total mass of the contaminants (mg),
respectively; D is the diffusion coefficient (m2/s), in this case for rivers; x is the distance (m)
from the source; t is the time (s).
Therefore, if a certain amount of pollutants (M) is instantaneously released into a certain
point of the Motala river, what does the concentration profile will look like during the
following 10 years?
We assume M=0.01143 mg, D=2 m2/s, t=50 years, the profile of the concentration at the
river mouth (x=0) according to the equation above is displayed below. The pollutants will
start to diffuse relatively faster at the beginning due to the high concentration gradient, and
then it will get slower and slower in the long period. It will tend to reach the equilibrium, i.e.
the concentration is constant in space and time, leading to the cease of diffusion.
Following the same procedure, inflow file was also created for PCB 28, 52, 101, 118, 138,
153 and 180.
2nd Create scenario in POPCYCLING-Bråviken model
•
Default chemical property values for PCB 28, 52, 101, 118, 138, 153 and 180 are used
(not shown here).
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
•
•
•
•
Enhanced sorption factors are set to be 1.
Atmospheric concentration is set to be zero.
The initial concentrations in water and sediments are set to be zero.
The inflow file named as “MotalaInflows_PCB_28_2010_15” is selected.
Note that the chemical inflow with Motala Stream will be assigned to surface and deep
Pampus water compartments based on the ratio between water inflow rates to Pampus water
compartments.
•
•
•
•
No dredging activity is defined.
No emission
From 2010 to 2024, the simulation time step is 6 hours, and the time step for results
storage is 360 hours.
Results are exported to text files and processed in Microsoft Excel.
In this example, all the background concentrations in water or sediment compartments are
assumed to be zero, and only inflows of PCBs are considered. Furthermore, the inflows of
PCBs are assumed to follow one empirical 1-D transport equation. Here, only predictions
related to PCB 28 are shown and discussed. Oscillations are caused by seasonal variations, i.e.
temperature differences.
Because the mixing rate of water is fast, so the predicted concentrations of PCB 28 in all
water compartments can reach peak values quickly (within two months). After reaching peak
values the concentrations of PCB 28 start to decrease and reach steady-state (Figure Ex2.1).
Sediment compartments firstly act as sink of PCB 28, after a period of time they turn into
sources of PCB 28. This trend shows a good agreement with expectation (Figure Ex2.2), i.e.
since all the background concentrations in sediment are assumed to be zero, so at the very
beginning the PCB 28 deposition rate will be larger than its release rate from the sediment.
After a certain period, due to continuously decreased water concentration of PCB 28, the
deposition of PCB 28 will continuously decrease to a certain level which is still a little bit
higher than the release rate (could be explained by burial loss of PCB 28). Curves shown in
Figure Ex2.1 further prove this conclusion, with the time the deposition rate of PCB 28 will
first increase and then decrease to a certain level, and the release rate of PCB 28 will keep
increase until the water-sediment exchange reaches steady state. Interestingly, the times for
reaching the peak values are different between different sediment compartments. This can
be attributed to the different areas of accumulation bottom and the chemical concentrations
in corresponding water compartments. Furthermore, model predictions suggest that the
deep sediment compartments bear less pronounced oscillations than the surface sediment
compartment, and this is reasonable because the temperature of deep sediment
compartment is relatively more stable.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Figure Ex2.1 Predicted PCB 28 concentrations in all water compartments (g/m3).
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
47
User’s Guide to POPCYCLING-Bråviken Model V 1.00
Figure
Ex2.2
Predicted
PCB
28
concentrations
in
sediment
compartments
(g/g
particle).
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
49
User’s Guide to POPCYCLING-Bråviken Model V 1.00
EXAMPLE B3 LEVEL IV SIMULATION OF THE FATE AND TRANSPORT OF PCB28 IN BRÅVIKEN AREA (WITH BOTH MOTALA INFLOWS AND INITIAL SEDIMENT
CONCENTRATIONS)
1st Create yearly inflow rate profile for PCB 28 in Microsoft Excel
Following the same procedure as described in Example B1, inflow file was created for PCB
28, 101 and 180.
2nd Create scenario in POPCYCLING-Bråviken model
•
•
•
•
•
•
•
•
•
Default chemical property values for PCB 28, 101 and 180 are used (not shown here).
Enhanced sorption factors are set to be 1.
Atmospheric concentration is set to be zero.
The initial concentration files for PCB 28 used in Example B1 are used here.
The inflow file named as “MotalaInflows_PCB_28_2010_15” is selected.
No dredging activity is defined.
No emission
From 2010 to 2024, the simulation time step is 6 hours, and the time step for results
storage is 2160 hours.
Results are exported to text files and processed in Microsoft Excel.
In this example, a comparison of three scenarios is conducted, i.e. scenario with both
chemical inflow with Motala Stream and initial presents of chemicals in sediment
compartments, scenario only with chemical inflow and only with initial presents of chemicals
in sediment compartments. Figure Ex3.1 suggests that the chemical inflow is only of minor
importance compared with sediment release of chemical.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Figure Ex3.1 Comparison of predicted concentrations of PCB 28 under different scenarios
(i.e. with both chemical inflow with Motala Stream and initial sediment concentrations, blue
curve; only with chemical inflow, red curve; only with initial sediment concentrations, green
marked curve.).
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
EXAMPLE B4 LEVEL IV SIMULATION OF THE FATE AND TRANSPORT OF PCB28 IN BRÅVIKEN AREA (WITH BOTH MOTALA AND BALTIC INFLOWS AND
INITIAL SEDIMENT CONCENTRATIONS)
1st Create yearly inflow rate profile for PCB 28 in Microsoft Excel
Following the same procedure as described in Example B1, inflow file was created for PCB
28, 101 and 180.
2nd Create scenario in POPCYCLING-Bråviken model
•
•
•
•
•
Default chemical property values for PCB 28, 101 and 180 are used (not shown here).
Enhanced sorption factors are set to be 1.
Atmospheric concentration is set to be zero.
The initial concentration files for PCB 28 used in Example B1 are used here.
The inflow file named as “MotalaBalticInflows_PCB_28_2010_15” is selected.
Background concentrations of PCBs in Baltic Sea were extracted from the Swedish EPA
Report 5912 (Page 61). The measured dissolved concentration ranges from 3 to 44 ng m-3
for ∑PCB7. Unfortunately, there were no details on the specific concentration ranges for
specific PCBs. Here, the ∑PCB7 concentration was averaged and converted to annual
chemical inflow as following:
Note that the above exchange water rates are read from Figure 5. In the model, the chemical
inflow will be automatically assigned to each exchange water flow, which is similar with the
assignment of chemical inflow from Motala Stream to surface and deep Pampus water
compartments.
•
•
No dredging activity is defined.
No emission
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
•
•
From 2010 to 2024, the simulation time step is 6 hours, and the time step for results
storage is 2160 hours.
Results are exported to text files and processed in Microsoft Excel.
A further comparison of four scenarios is conducted, i.e. scenarios with both chemical
inflow with Motala Stream and from Baltic Sea and initial presents of chemicals in sediment
compartments, scenario only with chemical inflow and only with initial presents of chemicals
in sediment compartments. The chemical flow from Baltic Sea (caused by background
concentration measured for Baltic Sea water) is of very minor importance to the Bråviken
water.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
ATTACHMENT C DESCRIPTIONS OF OUTPUT FILES
TABLE C1 DESCRIPTIONS OF OUTPUT FILES (CONTAINING RESULTS SAVED AT
EACH STORAGE TIME POINT).
Corresponding button
Concentrations Write to
File
Fugacities Write to File
File name
CA.txt
CW.txt
CW_dis.txt
CS.txt
FA.txt
FW.txt
FS.txt
AirSurfaceWExchange.txt
Degradation.txt
GaseousDepostition.txt
Inventories.txt
POCBalance.txt
Fluxes/Inventories
POCFluxes.txt
SedimentBurial.txt
SedimentwaterExchange.txt
WetDryDeposition.txt
AdvecChemFluxes.txt
ZbulkwaterVsSeds.txt
Z/VZ values Write to
File
Zcomparison.txt
VZcomparison.txt
Descriptions
Air concentration in g/m3
Bulk water concentrations in g/m3
Water concentrations (dissolved phase) in
g/m3
Sediment concentrations in g/g solids
Air fugacities in Pa
Water fugacities in Pa
Sediment fugacities in Pa
Total air-surface water exchange in kg/h
Degradation in air, surface water, surface
sediments, deep water and sediments in kg/h
Air-surface water gaseous exchange in kg/h
Inventories in various compartments in kg
G-values for POC (m3 POC/h) for various
process in various compartmens
Total inflow and outflow of POC for water
compartments in (m3 POC)/h
Loss via sediment burial in sediments in kg/h
Exchange between sediment and water
compartments in kg/h
Air-surface water wet and dry exchange in
kg/h
Chemical advective fluxes between water
compartmens
Comparison of Z-values between bulk water
column and sediment solids
Comparison of Z-values between particulates
inwater column and sediments
Comparison of VZ-values
By selecting different options, it is flexible to output the results into a certain number of text
files, and all the text files will be automatically saved in the folder which is called “results”.
Each output text file will contain model predicted results which were stored by the model at
each results-storage time point. More details see the following explanation.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
•
Concentrations and fugacities
CA.txt, CW.txt, CW_dit.txt and CS.txt
These three text files will contain the predicted bulk air (g/m3), total water (g/m3), dissolved
water (g/m3) and sediment (g/(g solids)) concentrations, respectively. They are calculated
based on the following equations:
where f (Pa) represents fugacities of air, water and sediment, BZ-values (mol/(m3 Pa)) are
fugacity capacities of bulk phases, Z-values (mol/(m3 Pa)) are fugacity capacities of pure
phases (e.g. fugacity capacity of water phase and particulate organic carbon of sediment),
WM (g/mol) represents molar weight, and DNOC (106 g/m3) is the density of organic carbon,
and TEF is the abbreviation of toxicity equivalent factor.
FA.txt, FW.txt and FS.txt
These three text files will contain the predicted fugacities (Pa) in the air, water and sediment
compartments, respectively. (See section 2.5.3 for details of calculation)
•
Fluxes and inventories
Air-SurfaceWExchange.txt
This text file will contain the predicted air-to-water or water-to-air chemical fluxes in unit of
kg/h. The fluxes are calculated based on the following equations:
where NAWK (kg/h) represents the air-to-water flux which includes gaseous, wet (caused
by precipitation) and dry depositions, and NWAK represents the water-to-air flux, i.e.
chemical diffusion from water to air. (See section 2.5 for details of calculation of D-values)
GaseousDeposition.txt
This text file will contain the predicted gaseous deposition rate (kg/h) of chemicals.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
where NAWKdiff. (kg/h) Is the gaseous deposition rate. (See section 2.5 for details of
calculation of D-values)
WetDryDeposition.txt
This text file will contain the predicted chemical deposition rate (kg/h) from air to water
compartment. The deposition includes both dry and wet depositions.
Degradation.txt
This text file will contain the predicted degradation rates (kg/h) of chemicals in specific air,
water or sediment compartments.
where NRAK (kg/h) represents the degradation loss in air, and NRWK and NRSK
represent the degradation loss in water and sediment. (See section 2.5 for details of
calculation of D-values)
SedimentBurial.txt
This text file will contain the predicted loss rate (kg/h) via sediment burial in each sediment
compartment.
where NLSK represents the sediment burial rate in kg/h, and oGbur is the sedimental POC
burial flux in m3/h. (See section 2.2.3 for details of POC balance)
Sediment-waterExchange.txt
This text file will contain the predicted chemical exchange rate (kg/h) between the water and
sediment compartments in two directions.
where NSWK (kg/h) represents the sediment-to-water chemical fluxes which includes
releases caused by diffusion and resuspension, and NWSK represents the water-to-sediment
chemical fluxes which includes chemical fluxes caused by deposition and diffusion. (See
section 2.5 for details of calculation of D-values)
AdvChemFluxes.txt
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
This text file will contain the advective chemical fluxes between water compartments in kg/h.
The calculation is based on the following equation
where GW1W2 (m3/h) is the surface water exchange flow rate between Loddby and Pampus,
in the model W is used as a symbol representing the surface water, Loddby area is numbered
as 1, Pampus area is numbered as 2.
Inventories.txt
This text file will contain the predicted inventories for all the subcompartments at each
storage time point, i.e. the total amount of chemicals (kg), which is calculated based on
where Mi (kg) represents the amount in kg, BZi is the fugacity capacity of bulk phase media
in mol/(Pa m3), VOi is the volume of media in m3, and WM is the chemical molar weight.
POCBalance.txt
This text file will contain the predicted POC fluxes (m3/h), like POC exchange flows etc.
The value of organic matter density is an empirical value, i.e. 106 g/m3.
where oGi (m3/h) represents the flux of POC, and Gi is the water flow rate in m3/h.
POCBalance_DredgingStart.txt
This text file will contain the predicted POC fluxes (m3/h) after dredging activities have been
conducted.
where POCFactor is the user defined factor by which the concentration of POC is elevated
due to dredging activity.
POCFluxes.txt
This text file will contain the model predicted total inflow and outflow of POC (m3 POC/h)
for all the water compartments.
•
Z/VZ values
ZbulkwaterVsSeds.txt
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
This text file will contain the bulk Z-values (mol/(Pa m3)) for water and sediment
compartments. For example, bulk Z-value of water is calculated based on the following
equation
Where Zwat_i is the fugacity capacity of the water.
Zcomparison.txt and VZcomparison.txt
These text files will contain the Z-values (mol/(Pa m3)) and VZ-values (mol/Pa) in
corresponding water columns and sediment compartments.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
ATTACHMENT D CREAT YOUR OWN SPACE DELIMITED
INPUT FILES
The model requires space delimited text files as model input files. Based on the following
procedure, users can create model required input text files by Microsoft Excel®.
1St Create one new excel blank workbook and paste the relevant data into it.
2nd Format the column width for specific input files as stated in Table D1.
HOME—Cells—Format—Column Width
3rd Select all the data and save the workbook as “Formatted Text” file, i.e. space delimited
text file with prn as file extension, and ignore any warning message.
4th Go to the location where you saved the prn file and open it by notepad and resave it as
txt file. Make sure the encoding type is ANSI. The file name should exactly follow the names
shown in Table D1
5th Copy the file to the relevant folder.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
TABLE D1 DESCRIPTION OF INPUT FILES
No. of
columns
Column
width
No.
of
rows
Which folder stored
in
Comments
-
2
9
12
envdata
Air advection rate in unit of
m2/day (calculated from
assumed air residence time)
OHconc.txt
6
1
7
12
envdata
TKA.txt
4
1
6
12
envdata
Data taken from the
POPCYCLING-Baltic
model (in unit of
molecules/m3)
Long-term monthly air
temperature (K)
TKSW.txt
4
8
6
12
envdata
Long-term monthly surface
water temperature (K)
TKDW.txt
4
8
6
12
envdata
Long-term monthly surface
water temperature (K)
WS
2
1
4
12
envdata
Long-term monthly wind
speed (m/s)
Zero emission.txt
-
9
9
100
emitdata
Number of years; the year
emission started; annual
emission in unit of kg/year
File name
No. of
digits
Airadvec.txt
Example
Same as "TKSW.txt"
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Zero emission2010-50.txt
-
9
9
50
emitdata
Number of years; the year
emission started; annual
emission in unit of kg/year
PCB28_20100701.txt
-
8
9
4
initCdata
Measured sediment
concentration of PCB 28 in
year 2010 in unit of ng/m3
PCB101_20100701.txt
-
Same as above
8
9
4
initCdata
Measured sediment
concentration of PCB 101 in
year 2010 in unit of ng/m3
PCB180_20100701.txt
-
Same as above
8
9
4
initCdata
Measured sediment
concentration of PCB 180 in
year 2010 in unit of ng/m3
zero inflow.txt
-
5
9
100
initCdata/Inflow
zero inflow-2010-50
-
5
9
50
initCdata/Inflow
Annual inflow to Pampus
Bay, Outer and Coastal
Bråviken, Svensksund and
Allöno Bay in unit of
kg/year; every annual inflow
will be assigned to
corresponding surface and
deep water compartments
based on ratios between
water inflows to surface and
deep water compartments.
Annual inflow to Pampus
Bay, Outer and Coastal
Bråviken, Svensksund and
Allöno Bay in unit of
kg/year
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
ATTACHMENT E FIXING ERRORS
Error E1 System files out of date issue
Microsoft has identified this issue and proposed several solutions (see the following link for
details).
(http://support.microsoft.com/default.aspx?scid=http://support.microsoft.com:80/suppor
t/kb/articles/Q191/0/96.ASP&NoWebContent=1)
Here the developer recommends one solution. User first need to find the file called
Setup.LST which can be found in the folder after uncompressing of installation package, and
then user needs to right click the file and use Microsoft Notepad to open it.
Indeed this problem is caused by the bootstrap setup. The dll files called Vb6stkit, Msvcrt40
and Comcat are essential for running VB 6.0 programs. However, the other dll files are “out
of date” and cause the error, which are not needed by the program in fact. Therefore, user
can add colons “;” in front of the lines to make the program skip those “out of date” files.
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User’s Guide to POPCYCLING-Bråviken Model V 1.00
Error E2 Input past end of file
When selecting the inflow concentration file or the emission file, the number of simulation
years must be set to equal to the number of rows of yearly data. If the number of simulation
years is wrongly set to be larger than the number of rows of yearly data, this error message
will pop up. Therefore, user is recommended to thoroughly check the two input text files.
63
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