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Title: Modeling and simulation of cement hydration kinetics and microstructure development

Abstract

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.

Authors:
 [1];  [2];  [3];  [4];  [5];  [6]
  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)
Publication Date:
OSTI Identifier:
21576904
Resource Type:
Journal Article
Journal Name:
Cement and Concrete Research
Additional Journal Information:
Journal Volume: 41; Journal 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.; Journal ID: ISSN 0008-8846
Country of Publication:
United States
Language:
English
Subject:
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

Citation Formats

Thomas, Jeffrey J., E-mail: jthomas39@slb.com, Biernacki, Joseph J, Bullard, Jeffrey W, Bishnoi, Shashank, Dolado, Jorge S, Scherer, George W, and Luttge, Andreas. Modeling and simulation of cement hydration kinetics and microstructure development. United States: N. p., 2011. Web. doi:10.1016/j.cemconres.2010.10.004.
Thomas, Jeffrey J., E-mail: jthomas39@slb.com, Biernacki, Joseph J, Bullard, Jeffrey W, Bishnoi, Shashank, Dolado, Jorge S, Scherer, George W, & Luttge, Andreas. Modeling and simulation of cement hydration kinetics and microstructure development. United States. https://doi.org/10.1016/j.cemconres.2010.10.004
Thomas, Jeffrey J., E-mail: jthomas39@slb.com, Biernacki, Joseph J, Bullard, Jeffrey W, Bishnoi, Shashank, Dolado, Jorge S, Scherer, George W, and Luttge, Andreas. 2011. "Modeling and simulation of cement hydration kinetics and microstructure development". United States. https://doi.org/10.1016/j.cemconres.2010.10.004.
@article{osti_21576904,
title = {Modeling and simulation of cement hydration kinetics and microstructure development},
author = {Thomas, Jeffrey J., E-mail: jthomas39@slb.com and Biernacki, Joseph J and Bullard, Jeffrey W and Bishnoi, Shashank and Dolado, Jorge S and Scherer, George W and Luttge, Andreas},
abstractNote = {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.},
doi = {10.1016/j.cemconres.2010.10.004},
url = {https://www.osti.gov/biblio/21576904}, journal = {Cement and Concrete Research},
issn = {0008-8846},
number = 12,
volume = 41,
place = {United States},
year = {Thu Dec 15 00:00:00 EST 2011},
month = {Thu Dec 15 00:00:00 EST 2011}
}