The CoZMoMAN Model 
This is a model which combines
the multimedia fate and transport model CoZMo-POP2 with the bioaccumulation
model ACC-HUMAN. The physical environmental model allows the user considerable
flexibility in terms of the spatial resolution of the water body. It
also constructs complete steady state mass budgets for air, water and
particulate organic carbon between the model compartments from the
environmental parameters supplied by the user. A detailed description
of the model is provided in Wania F., Breivik K., Persson N.J., McLachlan M.S.
(doi). The
bioaccumulation model is mechanistic, non-steady state model which considers potential
routes of human exposure through aquatic and terrestrial food chains and also by air
and water. A detailed description of the model is provided by Czub G. and McLachlan M.S.
(doi).
The CoZMoMAN model links these two models, using the environmental concentrations
from CoZMo-POP2 to drive the bioaccumulation model ACC-HUMAN. A detailed description
is provided by Breivik K., Czub G., McLachlan M.S., Wania F.
(doi). By
clicking 'download', you agree to the license
agreement for the CoZMoMAN software.
The Global Distribution Model (Globo-POP Version 1.1) 
Developed
by Frank Wania and
Donald Mackay (Trent University,
Canada) for
the Canadian Department of Indian Affairs and Northern Development,
this model
is described extensively in a number of journal publications. It is a
zonally
averaged multi-media model describing the global fate of persistent
organic
chemicals on the time scale of decades. Version 1.1 has a number of
modifications compared to the version distributed earlier: It now
allows for
solid phase transport in the description of diffusive gas exchange
between the
atmosphere and soil compartment, as described in McLachlan,
M. S., G. Czub, F. Wania. The
influence of vertical sorbed phase transport on the fate of organic
chemicals
in surface soils. Environ. Sci.
Technol. 2002, 36, 4860-4867 (doi). It also uses an
estimation
of the gas/particle partitioning equilibrium in the atmosphere based on
KOA,
as described in Wania, F., G. L. Daly. Estimating
the contribution of degradation in air and deposition to the deep sea
to the
global loss of PCBs. Atmos. Environ. 2002,
36, 5581-5593 (doi).
Finally, it includes
the capability to calculate the Arctic
Contamination Potential of an organic chemical, as described in Wania,
F. Assessing the potential of persistent organic chemicals for
long-range
transport and accumulation in polar regions. Environ.
Sci. Technol. 2003,
37, 1344-1351
(doi).
By
clicking
'download', you agree to the license
agreement for the Globo-POP software.
The
CoZMo-POP2 Model
This is a mechanistic, non-steady state model describing a drainage basin corresponding
to a marine coastline or a large lake. The model allows the user considerable
flexibility in terms of the spatial resolution of the water body. It
also constructs complete steady state mass budgets for air, water and
particulate organic carbon between the model compartments from the
environmental parameters supplied by the user. A detailed description
of the model is provided in Wania F., Breivik K., Persson N.J., McLachlan M.S.
(doi).
By clicking 'download', you agree to the license
agreement for the CoZMo-POP 2 software.
The
ppLFER-based Level III Model
Developed
by Knut Breivik and Frank Wania this
is a modified version of the level III fugacity model (Mackay and
Paterson,
1991) which is using poly-parametric linear free energy relationships
(PP-LFERs) to quantify equilibrium phase partitioning in the
environment. It
thus requires the input of LSER solute descriptors instead of the
classical
physical chemical properties, such as vapour pressure, water solubility
and
octanol-water partition coefficient. The model is specifically suited
to address
polar organic chemicals in addition to the non-polar organic chemicals
for
which the original Level III model was developed. A detailed
description of the
model is provided in Breivik K., Wania F. Expanding the applicability
of
multimedia fate models to polar organic chemicals. Environ. Sci.
Technol. 2003, 37, 4934-4943 (doi). By clicking 'download', you
agree to the license
agreement for the ppLFER-based Level III software.
The
POPCYCLING-Baltic
Model
Developed by
Frank Wania,
Johan Persson,
Antonio Di Guardo and Michael S.
McLachlan as part of the POPCYCLING-Baltic
project by the Environment and Climate Research Programme of the
European
Comission, this model describes persistent organic pollutant fate in
the
Baltic Sea environment. By clicking 'download', you agree to the license
agreement for the POPCYCLING software.
The
CoZMo-POP Model
This model is
an earlier version of the CoZMo-POP 2 Model. It is also a non-steady
state mass balance model for POPs in the coastal zone based on the
fugacity approach, but has a lower spatial resolution of the aquatic
environment and a less sophisticated description of the sediments and
the processes associated with sediments. This model has been used for
studying the effect of forests on the environmental fate of organic
contaminants and for exploring the effect of sorbed phase transport in
soil. By clicking 'download', you agree to the license
agreement for the CoZMo-POP software.
IFS-HLN Prediction
Spreadsheet (Version 1.0)
This spreadsheet
calculator is part of the supporting information for the paper
by Brown T.N., Arnot J.A., and Wania F. published in
Environmental Science & Technology, 2012. (doi)
In short this spreadsheet provides a list of fragments as SMARTS
(link to SMARTS description)
substructure search strings which can then be used in third party software to obtain fragment
counts for a list of chemicals. These fragment counts can then be entered into the IFS-HLN
spreadsheet to obtain predictions for fish biotransformation half-lives and the associated
domain of applicability calculations, as described by Brown et al. The spreadsheet is provided
as-is without license or guarantee. Any errors may be brought to the author's attention, and any
future fixes or modifications will be noted in the version documentation.
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