U.S. Department of Energy Office of Biological and Environmental Research

BER Research Highlights

Analyzing the Complexity of Interactions with Mineral Surfaces
Published: April 03, 2013
Posted: May 17, 2013

Minerals have a profound effect on the fate and transport of contaminants in subsurface environments. Surface complexation modeling (SCM) enables predictions of adsorption over a broader range of conditions than can be accommodated by adsorption isotherm equations or ion exchange models. A newly published review article discusses the current status of SCM and its applications to a range of systems. The main focus is on multidentate surface complexes, formed when an ion or molecule in solution binds to two or more adjacent active sites on the surface. Spectroscopic measurements often provide evidence for the presence of multidentate surface complexes, but there has been ambiguity and confusion in the literature regarding the best ways to incorporate such complexes into SCM. The article describes and evaluates several approaches to modeling these interactions and discusses examples of model applications, as well as the need for improvements in textbooks, computer programs, and the clarity of future publications to bridge the gap between theory and practice in SCM. This section is illustrated by a modeling discussion of surface complexation of uranium (VI) on the mineral goethite, a system that is a research focus of the Department of Energy's Office of Biological and Environmental Research (BER). Many of the experimental results referenced in this review were obtained in BER research projects. The article concludes with advice for SCM users.

Reference: Wang, Z., and D. E. Giammar. 2013. "Mass Action Expressions for Bidentate Adsorption in Surface Complexation Modeling: Theory and Practice," Environmental Science and Technology 47(9), 3982–96. DOI: 10.1021/es305180e. (Reference link)

Contact: Roland F. Hirsch, SC-23.2, (301) 903-9009
Topic Areas:

  • Research Area: Subsurface Biogeochemical Research

Division: SC-23.1 Climate and Environmental Sciences Division, BER


BER supports basic research and scientific user facilities to advance DOE missions in energy and environment. More about BER

Recent Highlights

May 10, 2019
Quantifying Decision Uncertainty in Water Management via a Coupled Agent-Based Model
Considering risk perception can improve the representation of human decision-making processes in age [more...]

May 09, 2019
Projecting Global Urban Area Growth Through 2100 Based on Historical Time Series Data and Future Scenarios
Study provides country-specific urban area growth models and the first dataset on country-level urba [more...]

May 05, 2019
Calibrating Building Energy Demand Models to Refine Long-Term Energy Planning
A new, flexible calibration approach improved model accuracy in capturing year-to-year changes in bu [more...]

May 03, 2019
Calibration and Uncertainty Analysis of Demeter for Better Downscaling of Global Land Use and Land Cover Projections
Researchers improved the Demeter model’s performance by calibrating key parameters and establi [more...]

Apr 22, 2019
Representation of U.S. Warm Temperature Extremes in Global Climate Model Ensembles
Representation of warm temperature events varies considerably among global climate models, which has [more...]

List all highlights (possible long download time)