Atomic Dislocations and Bond Rupture Govern Dissolution Enhancement under Acoustic Stimulation

Longwen Tang, Shiqi Dong, Ross Arnold, Erika Callagon La Plante, Juan Carlos Vega-Vila, Dale Prentice, Kirk Ellison, Aditya Kumar, Narayanan Neithalath, Dante Simonetti, Gaurav Sant, Mathieu Bauchy

Research output: Contribution to journalArticlepeer-review

Abstract

By focusing the power of sound, acoustic stimulation (i.e., often referred to as sonication) enables numerous "green chemistry"pathways to enhance chemical reaction rates, for instance, of mineral dissolution in aqueous environments. However, a clear understanding of the atomistic mechanism(s) by which acoustic stimulation promotes mineral dissolution remains unclear. Herein, by combining nanoscale observations of dissolving surface topographies using vertical scanning interferometry, quantifications of mineral dissolution rates via analysis of solution compositions using inductively coupled plasma optical emission spectrometry, and classical molecular dynamics simulations, we reveal how acoustic stimulation induces dissolution enhancement. Across a wide range of minerals (Mohs hardness ranging from 3 to 7, surface energy ranging from 0.3 to 7.3 J/m2, and stacking fault energy ranging from 0.8 to 10.0 J/m2), we show that acoustic fields enhance mineral dissolution rates (reactivity) by inducing atomic dislocations and/or atomic bond rupture. The relative contributions of these mechanisms depend on the mineral's underlying mechanical properties. Based on this new understanding, we create a unifying model that comprehensively describes how cavitation and acoustic stimulation processes affect mineral dissolution rates.

Original languageEnglish (US)
Pages (from-to)55399-55410
Number of pages12
JournalACS Applied Materials and Interfaces
Volume12
Issue number49
DOIs
StatePublished - Dec 9 2020
Externally publishedYes

Keywords

  • acoustic stimulation
  • activation energy
  • atomic bond rupture
  • mineral dissolution
  • molecular dynamics simulations

ASJC Scopus subject areas

  • Materials Science(all)

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