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Programme of the I stage of the POP intercomparison study

Stage I is aimed at the comparison of descriptions of basic processes affecting POP fate in the environment (listed below). Such comparison is based on the analysis of process descriptions (approach and parameterisation) used in different POP models and computational experiments.

First, mathematical description of the selected processes and parameters needed for modelling are analysed. On the basis of this analysis the agreed sets of internally consistent key physical-chemical properties of PCBs referred below as "reference data sets" are worked out for model testing. These data sets will be used for evaluation of influence of differences in values of POP physical-chemical parameters on model output at Stage II. Then a number of computational experiments is carried out on the basis of physical-chemical data sets of the individual model (if possible). The results of the computational experiments are compared between models. This stage results in an intermediate report.

Basic processes. The following processes are considered:

Gas/particle partitioning of POPs in the atmosphere.
Scavenging from the atmosphere (wet deposition for gaseous and particulate phases and dry deposition of particulate phase onto forest, grass, bare soil, and water).
Gaseous exchange processes between the atmosphere and different types of underlying surface (soil, water, vegetation).
Degradation in various environmental compartments (the atmosphere, soil, vegetation, water).

Pollutants considered: At Stage I the following pollutants selected for the intercomparison study: PCB-153 (first priority), and PCB-28 and PCB-180 (second priority) are included into computational experiments

Physical-chemical properties. The physical-chemical parameters used in the description of the above processes can be presented in the form shown in table:

Parametr
Description
Numerical values
Refereces

Henry's law constant

Temperature dependence:
H = H0exp(a(1/T0-1/T))
where T is temperature (K), H0 is the value at the reference temperature T0, and a is a parameter of temperature dependence

H0 = ...
T0 = ...
a = ...

to be put

Vapour pressure

Temperature dependence.

to be put

to be put

Degradation rate constants

Degradation rate constants in various compartments possibly with seasonal variations and/or temperature dependence.

to be put

to be put

Octanol/water
partitioning coefficient

 

to be put

to be put

Octanol/air
partitioning coefficient

Temperature dependence

to be put

to be put

Organic carbon/water
partitioning coefficient

 

to be put

to be put

Water solubility

 

to be put

to be put

Computational experiments. The following computational experiments are performed:

Calculations of POP gas/particle partitioning in the atmosphere (particulate fraction for a range of temperatures).
Calculations of dry deposition fluxes to agreed types of underlying surfaces (forest, grass, bare soil, seawater).
Calculations of wet deposition fluxes both for gaseous and particulate phases and total POP concentrations in precipitation.
Calculations of POP concentrations in different environmental media and/or gaseous fluxes from and to underlying surfaces (soil, water, vegetation) at given atmospheric concentrations.
Calculations of temporal trends characterising POP concentrations in the soil at the stages of their accumulation and clearance (optional additional experiment).

The input data for modelling include several sets of given PCB air concentrations in different phases (if needed) and environmental conditions (averaged ambient temperatures, organic content in the atmospheric aerosol, TSP, precipitation intensity, mean wind velocity, etc.) relevant for each of the experiments. These data are considered as conventional (not strictly concerned with particular geographic location and time period). More detailed description of input data for computational experiments together with a number of tabular templates on each experiments to be filled in by all participants within Stage I.

Time-table for Stage I

What
Who
When
Where

Physical-chemical parameters for the selected  POPs

 Modellers

 Modellers

November 2002
- January 2003

MSC-E

 

Mathematical description and parameterization  of the processes

Collected and systematized information on  physical-chemical properties and "standard  parameterization" for model testing

 MSC-E

February 2003

Experts

Input data for computational experiments

 MSC-E

February 2003

Experts

Output of computational experiments

Experts

April-June 2003
MSC-E

Preparation of the draft of intermediate report on Stage I

 MSC-E/Experts

July-November 2003

Experts

Second EMEP meeting on POP model intercomparison study

MSC-E

December 2003
Experts

Preparation of the input data for additional numerical experiments for Stage I

 MSC-E

December 2003

Experts

Output of additional computational experiments

Experts

January-February 2004
MSC-E

Preparation of the final version of intermediate report on Stage I

 MSC-E/Experts

March-May 2004

Experts

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Meteorological Synthesizing Centre - East, 2008