Cookies

We use cookies to ensure that we give you the best experience on our website. You can change your cookie settings at any time. Otherwise, we'll assume you're OK to continue.

Institute of Advanced Study

IAS Staff

Publication details for Prof. Chris Greenwell

Greathouse, J.A., Johnson, K.L. & Greenwell, H.C. (2014). Interaction of Natural Organic Matter with Layered Minerals: Recent Developments in Computational Methods at the Nanoscale. Minerals 4(2): 519-540.

Author(s) from Durham

Abstract

The role of mineral surfaces in the adsorption, transport, formation, and degradation of natural organic matter (NOM) in the biosphere remains an active research area owing to the difficulties in identifying proper working models of both NOM and mineral phases present in the environment. The variety of aqueous chemistries encountered in the subsurface (e.g., oxic vs. anoxic, variable pH) further complicate this field of study. Recently, the advent of nanoscale probes such as X-ray adsorption spectroscopy and surface vibrational spectroscopy applied to study such complicated interfacial systems have enabled new insight into NOM-mineral interfaces. Additionally, due to increasing capabilities in computational chemistry, it is now possible to simulate molecular processes of NOM at multiple scales, from quantum methods for electron transfer to classical methods for folding and adsorption of macroparticles. In this review, we present recent developments in interfacial properties of NOM adsorbed on mineral surfaces from a computational point of view that is informed by recent experiments.

Contact Details

Institute of Advanced Study
Durham University
Cosin's Hall
Palace Green
Durham 
DH1 3RL
Telephone: +44 (0)191 334 2589
Email: enquiries.ias@durham.ac.uk