Surface Complexation Models (SCMs) have been in widespread use for more than 50 years. Initial SCMs were adapted from solution phase analogs modulated by electrostatics borrowed from classical Electrical Double Layer (EDL) theory and were highly generic in nature. Over about the last 25 years SCMs have advanced by incorporating a wide variety of spectroscopic and computational information, which has helped constrain various SCM parameters and placed SCMs on firmer mechanistic footing. This contribution will focus on another SCM frontier in need of study. That is, how to incorporate various surface imperfections such as defects, impurities and the like, as well as non-oxide minerals into the SCM framework. Our recent efforts at developing SCMs for aluminum substituted ferrihydrite, and the ionic mineral barite will be presented to illustrate how we are approaching this SCM frontier.

Surface complexation models: A next challenge

ACS Fall 2021

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