skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: A critical comparison of 3D experiments and simulations of tricalcium silicate hydration

; ; ; ; ;  [1]
  1. NIST
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
OSTI Identifier:
Resource Type:
Journal Article
Journal Name:
J. Am. Ceram. Soc.
Additional Journal Information:
Journal Volume: 101; Journal Issue: (4) ; 04, 2018
Country of Publication:
United States

Citation Formats

Bullard, Jeffrey W., Hagedorn, John, Ley, M. Tyler, Hu, Qinang, Griffin, Wesley, Terrill, Judith E., and OKLU). A critical comparison of 3D experiments and simulations of tricalcium silicate hydration. United States: N. p., 2020. Web. doi:10.1111/jace.15323.
Bullard, Jeffrey W., Hagedorn, John, Ley, M. Tyler, Hu, Qinang, Griffin, Wesley, Terrill, Judith E., & OKLU). A critical comparison of 3D experiments and simulations of tricalcium silicate hydration. United States. doi:10.1111/jace.15323.
Bullard, Jeffrey W., Hagedorn, John, Ley, M. Tyler, Hu, Qinang, Griffin, Wesley, Terrill, Judith E., and OKLU). Fri . "A critical comparison of 3D experiments and simulations of tricalcium silicate hydration". United States. doi:10.1111/jace.15323.
title = {A critical comparison of 3D experiments and simulations of tricalcium silicate hydration},
author = {Bullard, Jeffrey W. and Hagedorn, John and Ley, M. Tyler and Hu, Qinang and Griffin, Wesley and Terrill, Judith E. and OKLU)},
abstractNote = {},
doi = {10.1111/jace.15323},
journal = {J. Am. Ceram. Soc.},
number = (4) ; 04, 2018,
volume = 101,
place = {United States},
year = {2020},
month = {1}

Works referenced in this record:

Simulation of Microstructure Development During the Hydration of a Cement Compound
journal, November 1986

Numerical simulation of hydration and microstructural development in hardening cement-based materials (I) theory
journal, February 1995

Reaction-diffusion model for the hydration and setting of cement
journal, March 1996

Three-Dimensional Computer Simulation of Portland Cement Hydration and Microstructure Development
journal, January 1997

Three-dimensional microstructure analysis of numerically simulated cementitious materials
journal, February 2003

µic: A new platform for modelling the hydration of cements
journal, April 2009

Studying nucleation and growth kinetics of alite hydration using μic
journal, October 2009

Coupling thermodynamics and digital image models to simulate hydration and microstructure development of portland cement pastes
journal, January 2011

  • Bullard, Jeffrey W.; Lothenbach, Barbara; Stutzman, Paul E.
  • Journal of Materials Research, Vol. 26, Issue 4
  • DOI: 10.1557/jmr.2010.41

Quantitative comparison of real and CEMHYD3D model microstructures using correlation functions
journal, February 2006

A parallel reaction-transport model applied to cement hydration and microstructure development
journal, January 2010

  • Bullard, Jeffrey W.; Enjolras, Edith; George, William L.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 2
  • DOI: 10.1088/0965-0393/18/2/025007

New Calcium Silicate Hydrate Network
journal, January 2010

  • Nicoleau, Luc
  • Transportation Research Record: Journal of the Transportation Research Board, Vol. 2142, Issue 1
  • DOI: 10.3141/2142-07

The effect of drying on early-age morphology of C–S–H as observed in environmental SEM
journal, December 2010

Comparison of methods for arresting hydration of cement
journal, October 2011

Supercritical drying of cementitious materials
journal, September 2017

Combined three-dimensional structure and chemistry imaging with nanoscale resolution
journal, September 2014

Direct measurements of 3d structure, chemistry and mass density during the induction period of C3s hydration
journal, November 2016

Direct three-dimensional observation of the microstructure and chemistry of C3S hydration
journal, October 2016

A three-dimensional microstructural model of reactions and transport in aqueous mineral systems
journal, September 2007

  • Bullard, Jeffrey W.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 15, Issue 7
  • DOI: 10.1088/0965-0393/15/7/002

A Multi-Ionic Continuum-Based Model for C 3 S Hydration
journal, July 2015

  • Gottapu, Manohar; Biernacki, Joseph J.
  • Journal of the American Ceramic Society, Vol. 98, Issue 10
  • DOI: 10.1111/jace.13703

In situ quasi-elastic scattering characterization of particle size effects on the hydration of tricalcium silicate
journal, November 2004

  • Allen, A. J.; McLaughlin, J. C.; Neumann, D. A.
  • Journal of Materials Research, Vol. 19, Issue 11
  • DOI: 10.1557/JMR.2004.0415

A New Approach to Modeling the Nucleation and Growth Kinetics of Tricalcium Silicate Hydration
journal, October 2007

Tricalcium Silicate Hydration Reaction in the Presence of Comb-Shaped Superplasticizers: Boundary Nucleation and Growth Model Applied to Polymer-Modified Pastes
journal, May 2012

  • Ridi, Francesca; Fratini, Emiliano; Luciani, Paola
  • The Journal of Physical Chemistry C, Vol. 116, Issue 20
  • DOI: 10.1021/jp209156n

Modelling early age hydration kinetics of alite
journal, July 2012

Nucleation and growth models for hydration of cement
journal, July 2012

Models of confined growth
journal, September 2012

The di- and tricalcium silicate dissolutions
journal, May 2013

Hydrated Layer Formation on Tricalcium and Dicalcium Silicate Surfaces: Experimental Study and Numerical Simulations
journal, December 2001

  • Garrault, Sandrine; Nonat, André
  • Langmuir, Vol. 17, Issue 26
  • DOI: 10.1021/la011201z

TXM-Wizard : a program for advanced data collection and evaluation in full-field transmission X-ray microscopy
journal, January 2012

  • Liu, Yijin; Meirer, Florian; Williams, Phillip A.
  • Journal of Synchrotron Radiation, Vol. 19, Issue 2
  • DOI: 10.1107/S0909049511049144

A hard X-ray nanoprobe beamline for nanoscale microscopy
journal, September 2012

  • Winarski, Robert P.; Holt, Martin V.; Rose, Volker
  • Journal of Synchrotron Radiation, Vol. 19, Issue 6
  • DOI: 10.1107/S0909049512036783

New Insights Into the Effect of Calcium Hydroxide Precipitation on the Kinetics of Tricalcium Silicate Hydration
journal, March 2010

Time dependent driving forces and the kinetics of tricalcium silicate hydration
journal, August 2015

Cellular automation model of reaction-transport porcesses
journal, November 1994

Filter dissolution of C3S as a function of the lime concentration in a limited amount of lime water
journal, July 1980

Mechanism of C3S dissolution and problem of the congruency in the very initial period and later on
journal, September 1983

A model for the microstructure of calcium silicate hydrate in cement paste
journal, January 2000

Refinements to colloid model of C-S-H in cement: CM-II
journal, March 2008

Composition and density of nanoscale calcium–silicate–hydrate in cement
journal, March 2007

  • Allen, Andrew J.; Thomas, Jeffrey J.; Jennings, Hamlin M.
  • Nature Materials, Vol. 6, Issue 4
  • DOI: 10.1038/nmat1871

Relationships between Composition and Density of Tobermorite, Jennite, and Nanoscale CaO−SiO 2 −H 2 O
journal, April 2010

  • Thomas, Jeffrey J.; Jennings, Hamlin M.; Allen, Andrew J.
  • The Journal of Physical Chemistry C, Vol. 114, Issue 17
  • DOI: 10.1021/jp910733x

Aqueous Solubility Relationships for Two Types of Calcium Silicate Hydrate
journal, August 1986

Solubility and structure of calcium silicate hydrate
journal, September 2004

An Ideal Solid Solution Model for C-S-H
journal, October 2016

  • Bullard, Jeffrey W.; Scherer, George W.
  • Journal of the American Ceramic Society, Vol. 99, Issue 12
  • DOI: 10.1111/jace.14493

Formation of Crystal Nuclei in Liquid Metals
journal, October 1950

Electrolyte crystal-aqueous solution interfacial tensions from crystallization data
journal, March 1982

Kinetics of calcium hydroxide crystal growth from solution
journal, April 1976

  • Tadros, Maher E.; Skalny, Jan; Kalyoncu, Rustu S.
  • Journal of Colloid and Interface Science, Vol. 55, Issue 1
  • DOI: 10.1016/0021-9797(76)90004-7

726. Hydrated calcium silicates. Part I. Compound formation at ordinary temperatures
journal, January 1950

Investigation of the Colloidal Hydrated Calcium Silicates. II. Solubility Relationships in the Calcium Oxide-Silica-Water System at 25°
journal, January 1965

  • Greenberg, S. A.; Chang, T. N.
  • The Journal of Physical Chemistry, Vol. 69, Issue 1
  • DOI: 10.1021/j100885a027

Communications of the American Ceramic Society Estimation of Thermochemical Data for Calcium Silicate Hydrate (C-S-H)
journal, December 1983

Analyses of the aqueous phase during early C3S hydration
journal, March 1984

XSEDE: Accelerating Scientific Discovery
journal, September 2014

  • Towns, John; Cockerill, Timothy; Dahan, Maytal
  • Computing in Science & Engineering, Vol. 16, Issue 5
  • DOI: 10.1109/MCSE.2014.80

X-Ray Interactions: Photoabsorption, Scattering, Transmission, and Reflection at E = 50-30,000 eV, Z = 1-92
journal, July 1993

  • Henke, B. L.; Gullikson, E. M.; Davis, J. C.
  • Atomic Data and Nuclear Data Tables, Vol. 54, Issue 2, p. 181-342
  • DOI: 10.1006/adnd.1993.1013

Variation in calcite dissolution rates:
journal, May 2003

Mechanisms of classical crystal growth theory explain quartz and silicate dissolution behavior
journal, October 2005

  • Dove, P. M.; Han, N.; De Yoreo, J. J.
  • Proceedings of the National Academy of Sciences, Vol. 102, Issue 43
  • DOI: 10.1073/pnas.0507777102

How predictable are dissolution rates of crystalline material?
journal, December 2012

  • Fischer, Cornelius; Arvidson, Rolf S.; Lüttge, Andreas
  • Geochimica et Cosmochimica Acta, Vol. 98
  • DOI: 10.1016/j.gca.2012.09.011

Beyond the conventional understanding of water–rock reactivity
journal, January 2017

Calcite dissolution rate spectra measured by in situ digital holographic microscopy
journal, September 2017

  • Brand, Alexander S.; Feng, Pan; Bullard, Jeffrey W.
  • Geochimica et Cosmochimica Acta, Vol. 213
  • DOI: 10.1016/j.gca.2017.07.001

In situ nanoscale observations of gypsum dissolution by digital holographic microscopy
journal, June 2017

Microstructural development of early age hydration shells around cement grains
journal, January 2010

Hydration Kinetics and Microstructure Development of Normal and CaCl 2 -Accelerated Tricalcium Silicate Pastes
journal, October 2009

  • Thomas, Jeffrey J.; Allen, Andrew J.; Jennings, Hamlin M.
  • The Journal of Physical Chemistry C, Vol. 113, Issue 46
  • DOI: 10.1021/jp907078u

New Developments in Understanding the Chemistry of Cement Hydration [and Discussion]
journal, September 1983

  • Double, D. D.; Hewlett, P. C.; Sing, K. S. W.
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 310, Issue 1511
  • DOI: 10.1098/rsta.1983.0065

The effect of inorganic salts on tricalcium silicate hydration
journal, January 1986

  • Brown, Paul Wencil; Harner, Caroline L.; Prosen, Edward J.
  • Cement and Concrete Research, Vol. 16, Issue 1
  • DOI: 10.1016/0008-8846(86)90063-3

Approximate Rate Constants for Nonideal Diffusion and Their Application in a Stochastic Model
journal, March 2007

  • Bullard, Jeffrey W.
  • The Journal of Physical Chemistry A, Vol. 111, Issue 11
  • DOI: 10.1021/jp0658391

Compositions of Solutions in Contact with Hydrating Tricalcium Silicate Pastes
journal, May 1977

The System Calcium Oxide-Silica-Water at 30°. The Association of Silicate * Ion in Dilute Alkaline Solution
journal, March 1940

  • Roller, Paul S.; Ervin, Guy
  • Journal of the American Chemical Society, Vol. 62, Issue 3
  • DOI: 10.1021/ja01860a001

Impact of Annealing on the Early Hydration of Tricalcium Silicate
journal, December 2013

  • Bazzoni, Amélie; Cantoni, Marco; Scrivener, Karen L.
  • Journal of the American Ceramic Society, Vol. 97, Issue 2
  • DOI: 10.1111/jace.12691