A three-dimensional computer simulation of portland cement hydration and microstructure development, Journal of the American Ceramic Society, 80, 1997
Reference: Dale P. Bentz, Journal of the American Ceramic Society,
**80** (1), pp. 3-21, 1997.

PDF Version of Original Paper
Go back to Part I Chapter 4 Sec (2e) Go back to Table of Contents

**Next: **Introduction

# Three-Dimensional Computer Simulation of Portland Cement Hydration
and Microstructure Development

Dale P. Bentz

Building and Fire Research Laboratory, National Institute of Standards and
Technology, Gaithersburg, Maryland 20899

## Abstract

A three-dimensional computer model for the simulation of portland cement
hydration and microstructure development has been developed. Starting with a
measured particle-size distribution and a set of scanning electron microscopy
images, a three-dimensional representation of a cement of interest is
reconstructed, matching the phase volume fractions and surface-area fractions
of the two-dimensional images. A set of cellular-automata rules is then
applied to the starting microstructure to model the chemical reactions
for all of the major phases during the evolving hydration process. The
dissolution cycles used in the model have been calibrated to real time using
single set of parameters for two cements at three different water-to-cement
ratios. Based on this calibration, there is excellent agreement between the
model predictions and experimental measurements for degree of hydration, heat
release, and chemical shrinkage. The degree-of-hydration predictions have been
successfully applied to predicting the compressive strength development of
mortar cubes for the two cements. The effects of temperature have been examined
by performing hydration experiments at 15º 25º and 35º and
applying a maturity-type relationship to determine a single degree of hydration-equivalent time
curve that can be compared to the model predictions. Finally, the computer
model has been further extended to simulate hydration under sealed conditions,
where self-desiccation limits the achievable hydration.

**Note: **Conventional cement chemistry notation is used
throughout this paper:
C is CaO, S is SiO_{2}, A is Al_{
2}O_{3}, F is
Fe_{2}O_{3},
H is H_{2}O, and is SO_{3}.

Go back to
Part I Chapter 4 Sec. (2e) Go back to Table of Contents