DataVXAdvanced Sustainable SystemsPaper
journal article·2018-01

Calcium Doping Facilitates Water Dissociation in Magnesium Oxide

Danny Müller, Christian Knoll, Thomas Ruh, Werner Artner, Jan M. Welch, Herwig Peterlik, Elisabeth Eitenberger, Gernot Friedbacher, Michael Harasek, Peter Blaha, Klaudia Hradil, Andreas Werner, Peter Weinberger

Advanced Sustainable Systems· Volume 2· Issue 1
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Source abstract

Abstract

Abstract Calcium doping of magnesium oxide results in significantly increased water dissociation rates, thus enhancing both hydration rate and reaction completeness of hydration compared to pure MgO. For a series of mixed magnesium–calcium oxides (MgxCa1−xO) with varying Ca contents between 0% and 40%, the material of a composition Mg0.9Ca0.1O shows the fastest rehydration, transforming completely within 80 min to the mixed hydroxide. In consecutive dehydration/rehydration cycles, reasonable cycle stability is found. A “regeneration” of the aged material (reactivity reduced by excessive cycling) in liquid water re‐establishes the initial rehydration reactivity. Density functional theory calculations support the experimental findings, confirming that calcium doping can reduce the energy of the rate limiting water dissociation reaction, exploiting both electronic and steric (size) effects.
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Research context

OpenAlex topics: Magnesium Oxide Properties and Applications · Calcium Carbonate Crystallization and Inhibition · Solar-Powered Water Purification Methods

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Institute of Applied Synthetic Chemistry TU Wien Getreidemarkt 9/163‐AC A‐1060 Vienna Austria

Institute of Chemical Environmental & Biological Engineering TU Wien Getreidemarkt 9/166 A‐1060 Vienna Austria

Institute of Materials Chemistry TU Wien Getreidemarkt 9/165 A‐1060 Vienna Austria

X‐Ray Center TU Wien Getreidemarkt 9 A‐1060 Vienna Austria

Atominstitut TU Wien Stadionallee 2 1020 Vienna Austria

Faculty of Physics University of Vienna Boltzmanngasse 5 1090 Vienna Austria

Institute of Chemical Technologies and Analytics TU Wien Getreidemarkt 9/164 A‐1060 Vienna Austria

Institute for Energy Systems and Thermodynamics TU Wien Getreidemarkt 9/302 A‐1060 Vienna Austria

Funding

Österreichische Forschungsförderungsgesellschaft · Bundesministerium für Wissenschaft, Forschung und Wirtschaft

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