Role of ionic diffusion in heat flow and chemical shrinkage of tricalcium aluminate hydration subjected to thermo-chemo-electrical coupled fields

The role of ion diffusion in the heat flow and chemical shrinkage of tricalcium aluminate (C3A) hydration was investigated using the proposed multi-ionic reactive transport model for C3A hydration. Ion diffusion, dissolution, and precipitation reactions were coupled in the governing equation of the...

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Main Authors: Liu, Yang, Li, Hua, Liu, Muyu, Luo, Guitao, Tan, Hongbo, Liu, Qimin
Other Authors: School of Mechanical and Aerospace Engineering
Format: Article
Language:English
Published: 2023
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Online Access:https://hdl.handle.net/10356/168717
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Institution: Nanyang Technological University
Language: English
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spelling sg-ntu-dr.10356-1687172023-06-17T16:48:15Z Role of ionic diffusion in heat flow and chemical shrinkage of tricalcium aluminate hydration subjected to thermo-chemo-electrical coupled fields Liu, Yang Li, Hua Liu, Muyu Luo, Guitao Tan, Hongbo Liu, Qimin School of Mechanical and Aerospace Engineering Engineering::Mechanical engineering Tricalcium Aluminate Ion Diffusion The role of ion diffusion in the heat flow and chemical shrinkage of tricalcium aluminate (C3A) hydration was investigated using the proposed multi-ionic reactive transport model for C3A hydration. Ion diffusion, dissolution, and precipitation reactions were coupled in the governing equation of the chemical field during C3A hydration in the presence of gypsum. Ion diffusion and chemical reactions were also governed by the electric and temperature fields in the model. Theoretical computations were performed relating ion diffusion to heat flow and chemical shrinkage during all stages of C3A hydration. Excellent agreement was achieved by comparing the simulation results and the experimental data under various conditions. The effects of the gypsum content, specific surface area (SSA), and curing temperature on the ion diffusion, electrical potential, heat flow, and chemical shrinkage were numerically studied. The results indicated that (1) higher gypsum contents, SSAs, and curing temperatures increased the ion concentration gradient and improved the supersaturation concentration of sulfate near the C3A surface; (2) higher gypsum contents led to faster decreases in the Ca2+ and SO42− concentrations before the depletion of gypsum; and (3) the gypsum content affected the phase assemblage through spatial and temporal evolution of the ionic species. The proposed model may guide the design of the C3A-gypsum system and can be extended to optimize the fluidity and setting properties of the cement paste. Published version This work was supported by the Key Research and Development Program of Hubei Province (Grant No. 2020BCB065). 2023-06-16T04:32:41Z 2023-06-16T04:32:41Z 2023 Journal Article Liu, Y., Li, H., Liu, M., Luo, G., Tan, H. & Liu, Q. (2023). Role of ionic diffusion in heat flow and chemical shrinkage of tricalcium aluminate hydration subjected to thermo-chemo-electrical coupled fields. Journal of Materials Research and Technology, 23, 5341-5356. https://dx.doi.org/10.1016/j.jmrt.2023.02.125 2238-7854 https://hdl.handle.net/10356/168717 10.1016/j.jmrt.2023.02.125 2-s2.0-85149799953 23 5341 5356 en Journal of Materials Research and Technology © 2023 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY license (http:// creativecommons.org/licenses/by/4.0/). application/pdf
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic Engineering::Mechanical engineering
Tricalcium Aluminate
Ion Diffusion
spellingShingle Engineering::Mechanical engineering
Tricalcium Aluminate
Ion Diffusion
Liu, Yang
Li, Hua
Liu, Muyu
Luo, Guitao
Tan, Hongbo
Liu, Qimin
Role of ionic diffusion in heat flow and chemical shrinkage of tricalcium aluminate hydration subjected to thermo-chemo-electrical coupled fields
description The role of ion diffusion in the heat flow and chemical shrinkage of tricalcium aluminate (C3A) hydration was investigated using the proposed multi-ionic reactive transport model for C3A hydration. Ion diffusion, dissolution, and precipitation reactions were coupled in the governing equation of the chemical field during C3A hydration in the presence of gypsum. Ion diffusion and chemical reactions were also governed by the electric and temperature fields in the model. Theoretical computations were performed relating ion diffusion to heat flow and chemical shrinkage during all stages of C3A hydration. Excellent agreement was achieved by comparing the simulation results and the experimental data under various conditions. The effects of the gypsum content, specific surface area (SSA), and curing temperature on the ion diffusion, electrical potential, heat flow, and chemical shrinkage were numerically studied. The results indicated that (1) higher gypsum contents, SSAs, and curing temperatures increased the ion concentration gradient and improved the supersaturation concentration of sulfate near the C3A surface; (2) higher gypsum contents led to faster decreases in the Ca2+ and SO42− concentrations before the depletion of gypsum; and (3) the gypsum content affected the phase assemblage through spatial and temporal evolution of the ionic species. The proposed model may guide the design of the C3A-gypsum system and can be extended to optimize the fluidity and setting properties of the cement paste.
author2 School of Mechanical and Aerospace Engineering
author_facet School of Mechanical and Aerospace Engineering
Liu, Yang
Li, Hua
Liu, Muyu
Luo, Guitao
Tan, Hongbo
Liu, Qimin
format Article
author Liu, Yang
Li, Hua
Liu, Muyu
Luo, Guitao
Tan, Hongbo
Liu, Qimin
author_sort Liu, Yang
title Role of ionic diffusion in heat flow and chemical shrinkage of tricalcium aluminate hydration subjected to thermo-chemo-electrical coupled fields
title_short Role of ionic diffusion in heat flow and chemical shrinkage of tricalcium aluminate hydration subjected to thermo-chemo-electrical coupled fields
title_full Role of ionic diffusion in heat flow and chemical shrinkage of tricalcium aluminate hydration subjected to thermo-chemo-electrical coupled fields
title_fullStr Role of ionic diffusion in heat flow and chemical shrinkage of tricalcium aluminate hydration subjected to thermo-chemo-electrical coupled fields
title_full_unstemmed Role of ionic diffusion in heat flow and chemical shrinkage of tricalcium aluminate hydration subjected to thermo-chemo-electrical coupled fields
title_sort role of ionic diffusion in heat flow and chemical shrinkage of tricalcium aluminate hydration subjected to thermo-chemo-electrical coupled fields
publishDate 2023
url https://hdl.handle.net/10356/168717
_version_ 1772825713011851264