Exploring the hydration potential and kinetics of Na-Ye'elimite and Ti-Ferrite solid solutions

Rahul Roy; Tobias Hertel; Christiane Rößler; Yiannis Pontikes

doi:10.1016/j.cemconres.2025.108046

Exploring the hydration potential and kinetics of Na-Ye'elimite and Ti-Ferrite solid solutions

Rahul Roy^*, Tobias Hertel, Christiane Rößler, Yiannis Pontikes

^*Corresponding author for this work

BA5505 Structural materials

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Abstract

The addition of Bauxite residue in the raw mix introduces Na+ and Ti4+ into the crystalline phases of calcium-sulfoaluminate (CSA) clinkers. To mimic such a system, Na-Fe-ye'elimite (C₃.₉N₀.₁A₂.₈F₀.₂Ŝ) and Ti-ferrite (C₂F₀.₇₆A₀.₂₄T₀.₁) were synthesized at 1285 °C, 2 h, and 1320 °C, 3 h, respectively. Quantitative X-ray diffraction (QXRD) revealed solid solutions with minor Ca-aluminates phases, whereas electron backscattered diffraction-energy dispersive spectroscopy (EBSD-EDS) could distinguish Na-rich orthorhombic and Fe-rich cubic ye'elimite polymorphs. Isothermal calorimetry showed the Na-Fe-ye'elimite phase drives early heat evolution, whereas higher ferrite and gypsum (M > 0) prolong induction and attenuate the main hydration peak. In ferrite-free mixes, the cubic-ye'elimite polymorph dissolves fastest, but when ferrite exceeds 33 wt%, its Fe3+ release accelerates orthorhombic-ye'elimite dissolution, as confirmed by pore-solution analysis. After 28d, Na-Fe-ye'elimite is fully consumed at M (sulfate to ye'elimite molar ratio) ≥ 2 for ye'elimite-ferrite mixes, while ferrite remains partly inert, possibly from Ca2+/SO₄2− adsorb onto its Fesingle bondAl surface. Limiting ferrite to ≤33 wt% is recommended to achieve more densification of the microstructure for better performance.

Original language	English
Article number	108046
Journal	Cement and Concrete Research
Volume	199
DOIs	https://doi.org/10.1016/j.cemconres.2025.108046
Publication status	Published - Jan 2026
MoE publication type	A1 Journal article-refereed

Funding

The research leading to these results has been performed within the ReActiv project and received funding from the European Community's Horizon 2020 Program (H2020/2014-2020) under grant agreement n° 958208.

Keywords

Hydration
Na-Ye'elimite
Solid-solution
Sulfate
Ti-ferrite

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title = "Exploring the hydration potential and kinetics of Na-Ye'elimite and Ti-Ferrite solid solutions",

abstract = "The addition of Bauxite residue in the raw mix introduces Na+ and Ti4+ into the crystalline phases of calcium-sulfoaluminate (CSA) clinkers. To mimic such a system, Na-Fe-ye'elimite (C₃.₉N₀.₁A₂.₈F₀.₂Ŝ) and Ti-ferrite (C₂F₀.₇₆A₀.₂₄T₀.₁) were synthesized at 1285 °C, 2 h, and 1320 °C, 3 h, respectively. Quantitative X-ray diffraction (QXRD) revealed solid solutions with minor Ca-aluminates phases, whereas electron backscattered diffraction-energy dispersive spectroscopy (EBSD-EDS) could distinguish Na-rich orthorhombic and Fe-rich cubic ye'elimite polymorphs. Isothermal calorimetry showed the Na-Fe-ye'elimite phase drives early heat evolution, whereas higher ferrite and gypsum (M > 0) prolong induction and attenuate the main hydration peak. In ferrite-free mixes, the cubic-ye'elimite polymorph dissolves fastest, but when ferrite exceeds 33 wt\%, its Fe3+ release accelerates orthorhombic-ye'elimite dissolution, as confirmed by pore-solution analysis. After 28d, Na-Fe-ye'elimite is fully consumed at M (sulfate to ye'elimite molar ratio) ≥ 2 for ye'elimite-ferrite mixes, while ferrite remains partly inert, possibly from Ca2+/SO₄2− adsorb onto its Fesingle bondAl surface. Limiting ferrite to ≤33 wt\% is recommended to achieve more densification of the microstructure for better performance.",

keywords = "Hydration, Na-Ye'elimite, Solid-solution, Sulfate, Ti-ferrite",

author = "Rahul Roy and Tobias Hertel and Christiane R{\"o}{\ss}ler and Yiannis Pontikes",

year = "2026",

month = jan,

doi = "10.1016/j.cemconres.2025.108046",

language = "English",

volume = "199",

journal = "Cement and Concrete Research",

issn = "0008-8846",

publisher = "Elsevier",

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TY - JOUR

T1 - Exploring the hydration potential and kinetics of Na-Ye'elimite and Ti-Ferrite solid solutions

AU - Roy, Rahul

AU - Hertel, Tobias

AU - Rößler, Christiane

AU - Pontikes, Yiannis

PY - 2026/1

Y1 - 2026/1

N2 - The addition of Bauxite residue in the raw mix introduces Na+ and Ti4+ into the crystalline phases of calcium-sulfoaluminate (CSA) clinkers. To mimic such a system, Na-Fe-ye'elimite (C₃.₉N₀.₁A₂.₈F₀.₂Ŝ) and Ti-ferrite (C₂F₀.₇₆A₀.₂₄T₀.₁) were synthesized at 1285 °C, 2 h, and 1320 °C, 3 h, respectively. Quantitative X-ray diffraction (QXRD) revealed solid solutions with minor Ca-aluminates phases, whereas electron backscattered diffraction-energy dispersive spectroscopy (EBSD-EDS) could distinguish Na-rich orthorhombic and Fe-rich cubic ye'elimite polymorphs. Isothermal calorimetry showed the Na-Fe-ye'elimite phase drives early heat evolution, whereas higher ferrite and gypsum (M > 0) prolong induction and attenuate the main hydration peak. In ferrite-free mixes, the cubic-ye'elimite polymorph dissolves fastest, but when ferrite exceeds 33 wt%, its Fe3+ release accelerates orthorhombic-ye'elimite dissolution, as confirmed by pore-solution analysis. After 28d, Na-Fe-ye'elimite is fully consumed at M (sulfate to ye'elimite molar ratio) ≥ 2 for ye'elimite-ferrite mixes, while ferrite remains partly inert, possibly from Ca2+/SO₄2− adsorb onto its Fesingle bondAl surface. Limiting ferrite to ≤33 wt% is recommended to achieve more densification of the microstructure for better performance.

AB - The addition of Bauxite residue in the raw mix introduces Na+ and Ti4+ into the crystalline phases of calcium-sulfoaluminate (CSA) clinkers. To mimic such a system, Na-Fe-ye'elimite (C₃.₉N₀.₁A₂.₈F₀.₂Ŝ) and Ti-ferrite (C₂F₀.₇₆A₀.₂₄T₀.₁) were synthesized at 1285 °C, 2 h, and 1320 °C, 3 h, respectively. Quantitative X-ray diffraction (QXRD) revealed solid solutions with minor Ca-aluminates phases, whereas electron backscattered diffraction-energy dispersive spectroscopy (EBSD-EDS) could distinguish Na-rich orthorhombic and Fe-rich cubic ye'elimite polymorphs. Isothermal calorimetry showed the Na-Fe-ye'elimite phase drives early heat evolution, whereas higher ferrite and gypsum (M > 0) prolong induction and attenuate the main hydration peak. In ferrite-free mixes, the cubic-ye'elimite polymorph dissolves fastest, but when ferrite exceeds 33 wt%, its Fe3+ release accelerates orthorhombic-ye'elimite dissolution, as confirmed by pore-solution analysis. After 28d, Na-Fe-ye'elimite is fully consumed at M (sulfate to ye'elimite molar ratio) ≥ 2 for ye'elimite-ferrite mixes, while ferrite remains partly inert, possibly from Ca2+/SO₄2− adsorb onto its Fesingle bondAl surface. Limiting ferrite to ≤33 wt% is recommended to achieve more densification of the microstructure for better performance.

KW - Hydration

KW - Na-Ye'elimite

KW - Solid-solution

KW - Sulfate

KW - Ti-ferrite

UR - https://www.scopus.com/pages/publications/105017593926

U2 - 10.1016/j.cemconres.2025.108046

DO - 10.1016/j.cemconres.2025.108046

M3 - Article

SN - 0008-8846

VL - 199

JO - Cement and Concrete Research

JF - Cement and Concrete Research

M1 - 108046

ER -

Exploring the hydration potential and kinetics of Na-Ye'elimite and Ti-Ferrite solid solutions

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Keywords

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