A 3D reactive transport model for simulation of the chemical reaction process of ASR at microscale

Xiujiao Qiu*, Jiayi Chen, Guang Ye, Geert De Schutter

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)
8 Downloads (Pure)


A 3D reactive transport model at microscale is proposed for simulating the chemical reaction process of alkali silica reaction (ASR) thermodynamically and kinetically including the dissolution of reactive silica, the nucleation and growth of ASR products and the dissolution of calcium hydroxide (CH) and calcium silicate hydrate (C-S-H) as a buffer of Ca2+ and OH to ASR. The implementation methodologies are firstly explained. Sensitivity analyses are done to calibrate some important parameters. The model is then applied to investigate the influence of the silica microstructural disorder degree on ASR. The simulation results show that the model is able to simulate successfully two typical patterns of the expansion sites location depending on the silica reactivity (inside the aggregate or in the aggregate-cement paste zone) found in field concrete and laboratory samples. A possible mechanism is provided based on the quantitative data captured by the model. The model can be extended to a multiscale ASR model for physic-chemical simulation to bridge the gap between the fundamental chemical mechanisms and the physical response of concrete.

Original languageEnglish
Article number106640
Pages (from-to)1-18
Number of pages18
JournalCement and Concrete Research
Publication statusPublished - 2022

Bibliographical note

Green Open Access added to TU Delft Institutional Repository 'You share, we take care!' - Taverne project https://www.openaccess.nl/en/you-share-we-take-care

Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.


  • ASR simulation
  • CH and C-S-H dissolution
  • Ion transport
  • Nucleation and growth of ASR products
  • Silica dissolution
  • Thermodynamics and kinetics


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