Studies of Mineral Nucleation and Growth across Multiple Scales: Review of the Current State of Research Using the Example of Barite (BaSO4)

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17 Scopus citations

Abstract

Sparingly soluble sulfate minerals, particularly barite (BaSO4), present an ideal system to understand mineral–water interfacial reactions. The model system barite has been used to develop crystal nucleation, growth, recrystallization, and pore-scale reactive transport models, both for the end-member cases, and in the presence of impurities that form isostructural solid solutions (Sr, Pb, Ra). Here, we present a comprehensive picture of the current body of research on sulfate minerals and their solid solution reactivity over spatiotemporal scales ranging from the molecular scale in picoseconds to the pore-scale in years of reaction time. Understanding reactivity of minerals at the pore-scale begins at the atomic-level where the structure of the mineral surface influences interfacial water structuring, and hence mineral reactivity. This review covers the inherently multiscale nature of mineral reactivity, ranging from atomic-scale interfacial structure to mesoscale impurity incorporation during recrystallization to pore-scale reactive transport models. In each topic, we identify gaps in knowledge, difficulties in cross-scale analyses, and future challenges in prediction of mineral growth, nucleation, and impurity transport across scales.

Original languageEnglish
Pages (from-to)3338-3361
Number of pages24
JournalACS Earth and Space Chemistry
Volume5
Issue number12
DOIs
StatePublished - Dec 16 2021

Funding

This manuscript has been authored in part by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US Government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, and worldwide license to publish or reproduce the published form of this manuscript or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan ( http://energy.gov/downloads/doe-public-access-plan ). This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division.

Keywords

  • barite
  • coprecipitation
  • mineral growth
  • multiscale mineral growth prediction
  • nucleation
  • reactive transport
  • remediation

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