1. General Model Information

Name: Exposure Estimation for potentially Ecotoxic Environmental CHEMicals

Acronym: E4CHEM

Contact:

Author(s):

Abstract:

• Deterministic description of the chemical's behavior in the environment with varying ecoparameters including the special aspects.
• Behavior of the same chemicals in different compartments.
• Behavior of different chemicals in the same compartment with the same ecoparameters.
• Tracing back of chemicals detected in the environment to the possible source by means of check procedures like EXWAT, one of E4CHEM models.
• Discharge of the user from extensive calculation operations.
• Interpretation of experimental results.

• Selection of descriptors as tool for priority setting.
• Identification and ranking of chemicals accordinge to their risk to the environment by comparing descriptors within descriptor matrices about the behavior of chemicals derived from the different models.

• Identification of chemicals applicable as reference substances with respect to environmental behavior.
• Identification of sensitive environmental areas to be selected for detailed studies.

• Only considered as a tool for further evaluation, modelling cannot come up to a decision itself. Ecological relations may be described by appropriate modelling in the near future but the arguments for decisions and management have to be derived from other considerations e.g. ethic, political or economic arguments.
• Taking into regard the high simplification behind the models (compared with the complex environmental relationships of nature), these models have to be managed, interpreted and validated by field studies with great care.

• Formulation of mass balance
• Calculation of local equilibrium state
• Formulation of transfer kinetics

Selection criteria for ranking chemicals	Models of E4CHEM	Input data
Release potential
Release rate from production, manufacturing, use, release path	RLTEC	Amount of production, use pattern
Distribution potential
Distribution tendency between different media	EXTND, EXFUG	Physico-chemical substance data, Compartment parameters
Exposure potential
Accumulation, Mobility, Persistence	EXAIR, EXWAT, EXSOL, EXINT, EXATM, EXPLA	Physico-chemical substance data, degradation constants, bioconcentration constants, environmental parameters

(Source: Brüggemann,R., U. Drescher-Kaden, B Münzer (1996) E4CHEM - A Simulation Program for the Fate of Chemicals in the Environment. GSF-Bericht 2/96 (ISSN 0721-1694).)

II. Technical Information

II.1 Executables:

II.2 Source-code:

II.3 Manuals:

II.4 Data:

III. Mathematical Information

III.1 Mathematics

III.2 Quantities

III.2.1 Input

III.2.2 Output

IV. References