Coupling of chemical kinetics and thermodynamics for simulations of leaching of cement paste in ammonium nitrate solution

A novel numerical method is proposed in this paper to model the leaching of various types of cement pastes in the ammonium nitrate solution by coupling chemical kinetics with chemical thermodynamics. Arrhenius equation and Eyring equation are applied to predict the rate constant of fast dissolution of portlandite in the ammonium nitrate, and a modified rate law is developed by incorporating the saturation ratio of the reaction. The estimations of leached depths from the proposed method comply with the well-known square root-time relationship and they also agree well with the reported experimental results. Moreover, the evolutions of porosity and major hydrate compositions during leaching are obtained. It is found that a simple linear relation exists for the acceleration factor of leaching in 6 M of ammonium nitrate with respect to leaching in pure water regardless of the type of the cement clinker.

• Record URL:
  https://doi.org/10.1016/j.cemconres.2017.02.028
• Record URL:
  http://www.sciencedirect.com/science/article/pii/S0008884616303040
• Availability:
  • Find a library where document is available. Order URL: http://worldcat.org/issn/00088846
• Supplemental Notes:
  • Abstract reprinted with permission from Elsevier.
• Authors:
  • Yu, Yuguo
  • Zhang, Y X
• Publication Date: 2017-5

Language

• English

Media Info

• Media Type: Web
• Features: Figures; References; Tables;
• Pagination: pp 95-107
• Serial:
  • Cement and Concrete Research
  • Volume: 95
  • Publisher: Elsevier
  • ISSN: 0008-8846
  • Serial URL: http://www.sciencedirect.com/science/journal/00088846

Subject/Index Terms

• TRT Terms: Cement paste; Kinetics; Leaching; Simulation; Thermodynamics
• Uncontrolled Terms: Ammonium nitrate
• Subject Areas: Highways; Materials;

Filing Info

• Accession Number: 01634693
• Record Type: Publication
• Files: TRIS
• Created Date: May 15 2017 3:16PM