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Studies of Mineral–Water Surfaces

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Neutron Applications in Earth, Energy and Environmental Sciences

Part of the book series: Neutron Scattering Applications and Techniques ((NEUSCATT))

Abstract

In this chapter we discuss the application of inelastic and quasielastic neutron scattering to the elucidation of the structure, energetics, and dynamics of water confined on the surfaces of mineral oxide nanoparticles. We begin by highlighting recent advancements in this active field of research before providing a brief review of the theory underpinning inelastic neutron scattering (INS) and quasielastic neutron scattering (QENS) techniques. We then discuss examples illustrating the use of neutron scattering methods for studying hydration layers that are an integral part of the nanoparticle structure. The first investigation of this kind, namely the INS analysis of hydrated ZrO2 nanoparticles, is described, as well as a later, complementary QENS study that allowed for the dynamics of diffusion of the water molecules within the hydration layer to be examined in detail. The diverse range of information available from INS experiments is illustrated by a recent study combining INS with calorimetric experiments that elucidated the thermodynamic properties of adsorbed water on anatase (TiO2) nanoparticles. To emphasize the importance of molecular dynamics (MD) simulations for deconvoluting complex QENS spectra, we describe both the MD and the QENS analysis of rutile (TiO2) and cassiterite (SnO2) nanoparticle systems and show that, when combined, data obtained by these two complementary methods can provide a complete description of the motion of the water molecules on the nanoparticle surface. We close with a glimpse into the future for this thriving field of research.

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Author information

Authors and Affiliations

  1. Department of Geosciences, Crystallography Laboratory, Virginia Tech, Blacksburg, VA 24061, USA

    Nancy L. Ross & Elinor C. Spencer

  2. Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California, Davis, CA 95616, USA

    Andrey A. Levchenko

  3. Intense Pulsed Neutron Source Division, Argonne National Laboratory, Argonne, IL 60439, USA

    Alexander I. Kolesnikov

  4. Chemical Sciences Division, Oak Ridge National Laboratory, MS-6110, Oak Ridge, TN 37831-6110, USA

    David J. Wesolowski & David R. Cole

  5. Neutron Scattering Science Division, Oak Ridge National Laboratory, MS-6475, Oak Ridge, TN 37831-6475, USA

    Eugene Mamontov

  6. Department of Chemical Engineering, Vanderbilt University, Nashville, TN 37235, USA

    Lukas Vlcek

Authors
  1. Nancy L. Ross
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  2. Elinor C. Spencer
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  3. Andrey A. Levchenko
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  4. Alexander I. Kolesnikov
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  5. David J. Wesolowski
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  6. David R. Cole
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  7. Eugene Mamontov
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  8. Lukas Vlcek
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Corresponding author

Correspondence to Nancy L. Ross .

Editor information

Editors and Affiliations

  1. Oak Ridge National Laboratory, Oak Ridge, TN, USA

    Liyuan Liang

  2. Universitádi Perugia, Italy

    Romano Rinaldi

  3. Institut Laue-Langevin, Grenoble, France

    Helmut Schober

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Ross, N.L. et al. (2009). Studies of Mineral–Water Surfaces. In: Liang, L., Rinaldi, R., Schober, H. (eds) Neutron Applications in Earth, Energy and Environmental Sciences. Neutron Scattering Applications and Techniques. Springer, Boston, MA. https://doi.org/10.1007/978-0-387-09416-8_8

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