Grantee Research Project Results

2002 Progress Report: Developing a Model to Predict the Persistence of Metals in Aquatic Environments

EPA Grant Number: R829500C003
Subproject: this is subproject number 003 , established and managed by the Center Director under grant R829500
(EPA does not fund or establish subprojects; EPA awards and manages the overall grant for this center).
Center: Center for the Study of Metals in the Environment
Center Director: Allen, Herbert E.
Title: Developing a Model to Predict the Persistence of Metals in Aquatic Environments
Investigators: Di Toro, Dominic M.
Institution: Manhattan College
EPA Project Officer: Aja, Hayley
Project Period: April 1, 2002 through March 31, 2005
Project Period Covered by this Report: April 1, 2002 through March 31,2003
RFA: Targeted Research Center (2006) Recipients Lists
Research Category: Targeted Research , Hazardous Waste/Remediation

Objective:

The objective of this research project is to develop the Unit World Model (UWM) for metals. As a replacement for the current methods for evaluating the effect of metals in the environment, the Center is developing a model for the behavior of metal compounds that can be used as a tool in the hazard assessment of metals and metal compounds. This model will include the physical and chemical mechanisms that control the fate and resulting bioavailability of metals discharged to natural waters. In particular, the transformations that affect metal fate and toxicity will be included.

The purpose of the UWM is to provide a framework for methods that can be used for evaluating the environmental hazards associated with the release of metals and metal compounds to the environment. The idea for a UWM comes from the fugacity and regional models developed for organic chemicals (Mackay, 1979, 1991; Mackay, et al., 1992). Models of this sort previously have been applied in various forms to pesticides (U.S. Environmental Protection Agency [EPA], 1986) and industrial organic chemicals (European Commission, 1996). The UWM for metals is structured such that it can be used to estimate both the exposure and effects of metal and metal compounds. It will incorporate the necessary metal specific processes that differentiate the behavior of metals from organic chemicals.

The UWM is designed to represent the major processes that determine the fate and transport of metals in the aquatic environment. In the water column, these processes include solubilization for particulate metal compounds, speciation among inorganic and organic dissolved ligands, and partitioning to suspended particles. The Windermere Humic Aqueous Model (WHAM) series of aqueous speciation models (Tipping, 1994) have been extensively calibrated and are well suited for incorporation in the UWM. A metal particle sorption model Steubenville Comprehensive Air Monitoring Program (SCAMP) also has recently become available (Lofts and Tipping, 1998). Although not as well calibrated, it provides a useful starting point.

The sorption of metals to water column particulate matter leads to the transfer of the metal to the bottom sediments. Sediments are the ultimate repositories of metals in aquatic settings. Several sediment models have been developed that successfully predict levels of sulfide (Acid Volatile Sulfide [AVS]) and partitioned simultaneously extracted metal (SEM) in sediments and resulting fluxes of dissolved metal from the sediments to the overlying water column (Di Toro, 1996; Carbanaro, 1999; Di Toro, 2001). Therefore, the frameworks exist for at least most of the processes in various stages of development, for the water column and sediment compartments.

Progress Summary:

The initial focus of this research project is on the development of a metals model for lakes. For this purpose, a coupled water column/sediment flux model is being developed in Microsoft Visual Basic for Microsoft Excel. The code to track the cycling of organic carbon, nutrients, oxygen, and redox-sensitive species (S, Fe) between the water column and sediments has been developed, and the computer code is being tested.

Future Activities:

We will continue efforts to develop the UWM. The next step will be to add the metals overlay to the model. The model then will be used to perform a more detailed evaluation of available data for lakes.

References:

Carbanaro R. Modeling metal sulfide fluxes from sediments. M.S. Thesis. Department of Environmental Engineering, Manhattan College, Riverdale, NY, 1999.

Di Toro DM, Mahony JD, Hansen DJ, Berry WJ. A model of the oxidation of iron and cadmium sulfide in sediments. Environmental Toxicology and Chemistry 1996;15(12):2168-2186.

Di Toro DM, Allen HE, Bergman HL, Meyer JS, Paquin PR, Santore RC. Biotic ligand model of the acute toxicity of metals. I. Technical basis. Environmental Toxicology and Chemistry 2001;20(10):2383-2396.

Di Toro DM. Sediment Flux Modeling. New York, NY: J. Wiley and Sons, Inc., 2001, 624 pp.

European Commission. EUSES documentation–the European union system for the evaluation of substances. Presented at the National Institute of Public Health and the Environment (RIVM), European Commission, Bilthoven, The Netherlands, 1996.

Lofts S, Tipping E. An assemblage model for cation binding by natural particulate matter. Geochimica et Cosmochimica Acta 1998;62(15):2609-2625.

Mackay D. Finding fugacity feasible. Environmental Science and Technology 1979;13:1218-1223.

Mackay D. Multimedia Environmental Models. Chelsea, MI: Lewis Publishers, 1991.

Mackay D, Paterson S, Shiu WY. Generic models for evaluating the regional fate of chemicals. Chemosphere 1992;24:695-717.

Tipping E. WHAM - A computer equilibrium model and computer code for waters, sediments, and soils incorporating a discrete site/electrostatic model of ion-binding by humic substances. Computers & Geosciences 1994;20(6):973-1023.

U.S. EPA. Hazard evaluation division, standard evaluation procedure, ecological risk assessment. Washington, DC: U.S. Environmental Protection Agency, Office of Pesticide Programs, June 1986, EPA 540/9-85-001.

Journal Articles on this Report : 3 Displayed | Download in RIS Format

Publications Views
Other subproject views:	All 3 publications	3 publications in selected types	All 3 journal articles
Other center views:	All 4 publications	4 publications in selected types	All 4 journal articles

Publications
Type	Citation	Sub Project	Document Sources
Journal Article	Field LJ, Macdonald DD, Norton SB, Ingersoll CG, Severn CG, Smorong D, Lindskoog R. Predicting amphipod toxicity from sediment chemistry using logistic regression models. Environmental Toxicology and Chemistry 2002;21(9):1993-2005.	R829500 (2002) R829500C001 (2002) R829500C002 (2002) R829500C003 (2002) R829500C004 (2002) R829500C005 (2002) R829500C006 (2002) R829500C007 (2002)	Abstract from PubMed
Journal Article	Paquin PR, Gorsuch JW, Apte S, Batley GE, Bowles KC, Campbell PGC, Delos CG, Di Toro DM, Dwyer RL, Galvez F, Gensemer RW, Goss GG, Hogstrand C, Janssen CR, McGeer JC, Naddy RB, Playle RC, Santore RC, Schneider U, Stubblefield WA, Wood CM, Wu KB. The biotic ligand model: a historical overview. Comparative Biochemistry and Physiology Part C: Toxicology & Pharmacology 2002;133(1-2):3-35.	R829500 (2002) R829500C001 (2002) R829500C002 (2002) R829500C003 (2002) R829500C004 (2002) R829500C005 (2002) R829500C006 (2002) R829500C007 (2002)	Abstract from PubMed Full-text: Science Direct Full Text Exit Other: Science Direct PDF Exit
Journal Article	Santore RC, Mathew R, Paquin PR, DiToro DM. Application of the biotic ligand model to predicting zinc toxicity to rainbow trout, fathead minnow, and Daphnia magna. Comparative Biochemistry and Physiology Part C: Toxicology & Pharmacology 2002;133(1-2):271-285.	R829500 (2002) R829500C001 (2002) R829500C002 (2002) R829500C003 (2002) R829500C004 (2002) R829500C005 (2002) R829500C006 (2002) R829500C007 (2002)	Abstract from PubMed Full-text: Science Direct Full Text Exit Other: Science Direct PDF Exit

Supplemental Keywords:

metals, aquatic environments, coupled water column/sediment flux model, sediments, water column, metals model, Unit World Model, UWM,, RFA, Scientific Discipline, INTERNATIONAL COOPERATION, Waste, Geochemistry, Hazardous Waste, Ecological Risk Assessment, Hazardous, fate and transport , modeling, PCB, remediation, aquatic ecosystems, extraction of metals, mobility of contaminants, dietary exposure, bioaccumulation, metal contamination

Relevant Websites:

http://www.ce.udel.edu/CSME/Index.html Exit

Progress and Final Reports:

Original Abstract

2003

Final

Main Center Abstract and Reports:

R829500 Center for the Study of Metals in the Environment

Subprojects under this Center: (EPA does not fund or establish subprojects; EPA awards and manages the overall grant for this center).
R829500C001 Role of Dietary Exposure for Bioaccumulation and Toxicity of Metals in Aquatic Ecosystems Affected by Mining
R829500C002 The Role of Organic Matter and Metal Oxides in the Retention of Trace Metals by Soil and Suspended Particles
R829500C003 Developing a Model to Predict the Persistence of Metals in Aquatic Environments
R829500C004 Effects of Dietary Metal Exposure on Fish and Aquatic Invertebrates
R829500C005 Aquatic Toxicity and Exposure Assessment
R829500C006 Development of a Model to Predict the Bioavailability of Metals to Soil Invertebrates
R829500C007 Bioaccumulation and Toxicity of Dietborne Particulate Metals to Benthic Invertebrates

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The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Conclusions drawn by the principal investigators have not been reviewed by the Agency.