Modeling and simulation of cement hydration kinetics and microstructure development

Journal Article · Thu Dec 15 00:00:00 EST 2011 · Cement and Concrete Research

DOI:https://doi.org/10.1016/j.cemconres.2010.10.004· OSTI ID:21576904

Biernacki, Joseph J ^[1]; Bullard, Jeffrey W ^[2]; Bishnoi, Shashank ^[3]; Dolado, Jorge S ^[4]; Scherer, George W ^[5]; Luttge, Andreas ^[6]

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1. Department of Chemical Engineering, Tennessee Tech University, Cookeville, TN (United States)
2. Materials and Construction Research Division, National Institute of Standards and Technology, Gaithersburg, MD (United States)
3. Department of Civil Engineering, Indian Institute of Technology Delhi, New Delhi (India)
4. Center for Nanomaterials Application in Construction, LABEIN-Tecnalia, Bilbao (Spain)
5. Department of Civil and Environmental Engineering, Princeton University, Princeton, NJ (United States)
6. Department of Chemistry, Rice University, Houston, TX (United States)

Efforts to model and simulate the highly complex cement hydration process over the past 40 years are reviewed, covering different modeling approaches such as single particle models, mathematical nucleation and growth models, and vector and lattice-based approaches to simulating microstructure development. Particular attention is given to promising developments that have taken place in the past few years. Recent applications of molecular-scale simulation methods to understanding the structure and formation of calcium-silicate-hydrate phases, and to understanding the process of dissolution of cement minerals in water are also discussed, as these topics are highly relevant to the future development of more complete and fundamental hydration models.

• OSTI ID: 21576904
• Journal Information: Cement and Concrete Research, Vol. 41, Issue 12; Conference: International summit on cement hydration kinetics and modeling;CONMOD10: Symposium on concrete modelling, Quebec City, PB (Canada);Lausanne (Switzerland), 27-29 Jul 2009;22-25 Jun 2010; Other Information: DOI: 10.1016/j.cemconres.2010.10.004; PII: S0008-8846(10)00279-6; Copyright (c) 2010 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0008-8846
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CALCIUM SILICATES
CEMENTS
HYDRATES
HYDRATION
KINETICS
MICROSTRUCTURE
MINERALS
NUCLEATION
SIMULATION
SINGLE-PARTICLE MODEL
ALKALINE EARTH METAL COMPOUNDS
BUILDING MATERIALS
CALCIUM COMPOUNDS
MATERIALS
MATHEMATICAL MODELS
NUCLEAR MODELS
OXYGEN COMPOUNDS
SILICATES
SILICON COMPOUNDS
SOLVATION