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Data publication: Pulsating dissolution of crystalline matter: A transport- or surface-controlled process?

Schabernack, J.; Fischer, C.

Abstract

KIMERA (Open Source KMC software):

  • Input file: kimera.input
  • Crystal structure: StructurePaperInna_noO.xyz
  • Output files: Calcite.box, Calcite.clayer, Calcite.data, Calcite.meandiscoord, Calcite.surface
  • KMC data evaluation file: KMC-KinkSites.xlsx

COMSOL:

  • COMSOL program files for two simulations: .mph files
     

Keywords: Surface reactivity; Pulsating dissolution; Kinetic Monte Carlo; Reactive transport; Calcite

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Permalink: https://www.hzdr.de/publications/Publ-37369


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