GeoMicro3D: A novel numerical model for simulating the reaction process and microstructure formation of alkali-activated slag

Yibing Zuo, Guang Ye

Research output: Contribution to journalArticleScientificpeer-review

Abstract

For the first time, this study developed a novel model, named GeoMicro3D, to simulate the reaction process and microstructure formation of alkali-activated slag. The GeoMicro3D model consists of four modules that are designed to simulate, respectively: (i) the initial spatial distribution of real-shape slag particles in alkaline activator, (ii) the dissolution of slag and diffusion of ions via the transition state theory and lattice Boltzmann method, respectively, (iii) the spatial distribution of reaction products using a nucleation probability theory, and (iv) the chemical reactions with thermodynamic modelling. Afterwards the GeoMicro3D model was implemented and verified. The simulation results were discussed and compared with the relevant experimental data and thermodynamic calculation results using GEMS. A good agreement was found in the comparisons, showing the strong simulation capability of GeoMicro3D.

Original languageEnglish
Article number106328
Pages (from-to)1-21
Number of pages21
JournalCement and Concrete Research
Volume141
DOIs
Publication statusPublished - 2021

Keywords

  • Alkali-activated slag
  • GeoMicro3D
  • Microstructure formation
  • Numerical simulation
  • Reaction process

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