Structure and reactivity of the calcite–water interface

Heberling, Frank; Trainor, Thomas P.; Lützenkirchen, Johannes; Eng, Peter; Denecke, Melissa A.; Bosbach, Dirk

doi:10.1016/j.jcis.2010.10.047

Title: Structure and reactivity of the calcite–water interface

Journal Article · Tue Oct 26 00:00:00 EDT 2010 · Journal of Colloid and Interface Science

DOI:https://doi.org/10.1016/j.jcis.2010.10.047· OSTI ID:1509824

Heberling, Frank ^[1]; Trainor, Thomas P. ^[2]; Lützenkirchen, Johannes ^[1]; Eng, Peter ^[3]; Denecke, Melissa A. ^[1]; Bosbach, Dirk ^[4]

Karlsruher Inst. für Technologie, Karlsruhe (Germany)
Univ. of Alaskan, Fairbanks, AK (United States)
Univ. of Chicago, IL (United States). GeoSoilEnviroCars
Forschungszentrum Julich (Germany). Inst. für Energieforschung

The zetapotential of calcite in contact with aqueous solutions of varying composition is determined for pre-equilibrated suspensions by means of electrophoretic measurements and for non-equilibrium solutions by means of streaming potential measurements. Carbonate and calcium are identified as charge determining ions. Studies of the equilibrium solutions show a shift of isoelectric point with changing CO₂ partial pressure. Changes in pH have only a weak effect in non–equilibrium solutions. The surface structure of (104) faces of single crystal calcite in contact to solutions corresponding to those of the zetapotential investigations is determined from surface diffraction measurements. The results reveal no direct indication of calcium or carbonate inner-sphere surface species. The surface ions are found to relax only slightly from their bulk positions; the most significant relaxation is a ~4° tilt of the surface carbonate ions towards the surface. Two ordered layers of water molecules are identified, the first at 2.35 ± 0.05 Å above surface calcium ions and the second layer at 3.24 ± 0.06 Å above the surface associated with surface carbonate ions. A Basic Stern surface complexation model is developed to model observed zetapotentials, while only considering outer–sphere complexes of ions other than protons and hydroxide. The Basic Stern SCM successfully reproduces the zetapotential data and gives reasonable values for the inner Helmholtz capacitance, which are in line with the Stern layer thickness estimated from surface diffraction results.

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Research Organization:: Univ. of Chicago, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; National Science Foundation (NSF)

Grant/Contract Number:: FG02-94ER14466; AC02-06CH11357

OSTI ID:: 1509824

Journal Information:: Journal of Colloid and Interface Science, Vol. 354, Issue 2; ISSN 0021-9797

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 212 works

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