Molecular Modeling of Natural Organic Matter Interactions With Cations, Mineral Surfaces and PAHs

Abstract

Understanding the mechanisms of organic-mineral and organic-colloid interactions will help determine under which conditions organic contaminants will be bioavailable or sequestered. This project combines spectroscopic (i.e., ATR-FTIR = Attenuated Total Reflectance Fourier- Transform Infrared) and microscopic (i.e., HRTEM = High-Resolution Transmission Electron Microscopy) studies with molecular modeling, in order to help elucidate the mechanisms of organic-mineral interaction and binding. The overall goal of this research is to predict biological environmental effects from chemical knowledge of contaminated sites. Interactions of several key chemical parameters can either enhance or decrease the environmental impact of a given contaminant concentrations. Thus, this research leads to better risk assessment capability and savings in sediment management costs.

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Document Details

Document Type
Technical Report
Publication Date
Oct 29, 2001
Accession Number
ADA395964

Entities

People

  • James D. Kubicki

Organizations

  • Pennsylvania State University

Tags

DTIC Thesaurus Topics

  • Aromatic Hydrocarbons
  • Chemical Synthesis
  • Chemistry
  • Contracts
  • Electron Microscopy
  • Environment
  • Environmental Pollutants
  • Geochemistry
  • High Resolution
  • Humic Acid
  • Microscopy
  • Physical Chemistry
  • Risk Analysis
  • Sediments
  • Spectra
  • Spectroscopy
  • Transmission Electron Microscopy

Fields of Study

  • Environmental science

Readers

  • Groundwater Contamination Remediation.
  • Nanocomposite Materials Science
  • Spectroscopy.

Technology Areas

  • Microelectronics