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Title: Coherent diffraction study of calcite crystallization during the hydration of tricalcium silicate

The aim of this work is using Bragg coherent X-ray diffraction imaging (BCDI) to study the calcite crystallization during carbonation of hydrated tricalcium silicate (C 3S). Portland cement is a very complex synthesized product whose 50–70% mass is composed of C 3S, which is the most important phase to produce calcium silicate hydrates and calcium hydroxide. Hence, its hydration contributes greatly to the hydration of cement and later to the carbonation of cement products when it reacts with CO 2, often from the air, to form calcium carbonates. BCDI has emerged in the last decade as a promising high-resolution lens-less imaging approach for characterization of various samples. It has made significant progress with the development of X-ray sources and phase-retrieval algorithms. BCDI allows for imaging the whole three-dimensional structure of micro- and sub-micro- crystalline materials and can show the strain distribution at the nanometer spatial resolution. Finally, results show that calcite crystallization follows a through-solution reaction and the growth model of the calcite crystal can be explained by using “phase domain” theory. In conclusion, during carbonation, calcite crystals grow by increasing the number of phase domains within them while the domain size remains at about 200–300 nm.
Authors:
ORCiD logo [1] ;  [2] ;  [3] ;  [4] ;  [5] ;  [6] ;  [6] ;  [7]
  1. Tongji Univ., Shanghai (China). School of Materials Science and Engineering; Tongji Univ., Shanghai (China). Key Lab. of Advanced Civil Engineering Materials; Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Rutherford Appleton Lab. (RAL). Research Complex at Harwell
  2. Tongji Univ., Shanghai (China). School of Materials Science and Engineering
  3. Tongji Univ., Shanghai (China). School of Materials Science and Engineering; Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Rutherford Appleton Lab. (RAL). Research Complex at Harwell; Univ. College London, London (United Kingdom). London Centre for Nanotechnology
  4. Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Rutherford Appleton Lab. (RAL). Research Complex at Harwell; Univ. College London, London (United Kingdom). London Centre for Nanotechnology; Southern Univ. of Science and Technology, Shenzhen (China). Dept. of Electrical and Electronic Engineering
  5. Univ. of Jinan, Jinan (China). Shangdong Provincial Key Lab. of Preparation and Measurement of Building Materials
  6. Science and Technology Facilities Council (STFC), Harwell Campus, Oxford (United Kingdom). Diamond Light Source, Ltd.
  7. Tongji Univ., Shanghai (China). School of Materials Science and Engineering; Univ. College London, London (United Kingdom). London Centre for Nanotechnology; Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics and Materials Science Dept.
Publication Date:
Report Number(s):
BNL-207895-2018-JAAM
Journal ID: ISSN 0264-1275
Grant/Contract Number:
SC0012704; 152221; 152243; EP/I022562/1
Type:
Accepted Manuscript
Journal Name:
Materials & Design
Additional Journal Information:
Journal Volume: 157; Journal Issue: C; Journal ID: ISSN 0264-1275
Publisher:
Elsevier
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Carbonation; Bragg coherent X-ray diffraction imaging (BCDI); Calcite crystallization; Tricalcium silicate (C3S)
OSTI Identifier:
1462412

Liu, Xianping, Lin, Wei, Chen, Bo, Zhang, Fucai, Zhao, Piqi, Parsons, Aaron, Rau, Christoph, and Robinson, Ian. Coherent diffraction study of calcite crystallization during the hydration of tricalcium silicate. United States: N. p., Web. doi:10.1016/j.matdes.2018.07.031.
Liu, Xianping, Lin, Wei, Chen, Bo, Zhang, Fucai, Zhao, Piqi, Parsons, Aaron, Rau, Christoph, & Robinson, Ian. Coherent diffraction study of calcite crystallization during the hydration of tricalcium silicate. United States. doi:10.1016/j.matdes.2018.07.031.
Liu, Xianping, Lin, Wei, Chen, Bo, Zhang, Fucai, Zhao, Piqi, Parsons, Aaron, Rau, Christoph, and Robinson, Ian. 2018. "Coherent diffraction study of calcite crystallization during the hydration of tricalcium silicate". United States. doi:10.1016/j.matdes.2018.07.031.
@article{osti_1462412,
title = {Coherent diffraction study of calcite crystallization during the hydration of tricalcium silicate},
author = {Liu, Xianping and Lin, Wei and Chen, Bo and Zhang, Fucai and Zhao, Piqi and Parsons, Aaron and Rau, Christoph and Robinson, Ian},
abstractNote = {The aim of this work is using Bragg coherent X-ray diffraction imaging (BCDI) to study the calcite crystallization during carbonation of hydrated tricalcium silicate (C3S). Portland cement is a very complex synthesized product whose 50–70% mass is composed of C3S, which is the most important phase to produce calcium silicate hydrates and calcium hydroxide. Hence, its hydration contributes greatly to the hydration of cement and later to the carbonation of cement products when it reacts with CO2, often from the air, to form calcium carbonates. BCDI has emerged in the last decade as a promising high-resolution lens-less imaging approach for characterization of various samples. It has made significant progress with the development of X-ray sources and phase-retrieval algorithms. BCDI allows for imaging the whole three-dimensional structure of micro- and sub-micro- crystalline materials and can show the strain distribution at the nanometer spatial resolution. Finally, results show that calcite crystallization follows a through-solution reaction and the growth model of the calcite crystal can be explained by using “phase domain” theory. In conclusion, during carbonation, calcite crystals grow by increasing the number of phase domains within them while the domain size remains at about 200–300 nm.},
doi = {10.1016/j.matdes.2018.07.031},
journal = {Materials & Design},
number = C,
volume = 157,
place = {United States},
year = {2018},
month = {7}
}