Thermodynamic modelling of Portland cement clinkers

Wahab Abdul; C. Rößler; Chancel  Mawalala; Alexander Pisch; T. Hanein; Marcus Campbell Bannerman

Thermodynamic modelling of Portland cement clinkers

Wahab Abdul^*, C. Rößler, Chancel Mawalala, Alexander Pisch, T. Hanein, Marcus Campbell Bannerman

^*Corresponding author for this work

University of Sheffield

Research output: Chapter in Book/Report/Conference proceeding › Published conference contribution

Abstract

Research into thermodynamic modelling allows for product and process optimisation of Portland cement clinkers. Due to the magnitude and chemistry of clinker production, there is a great challenge in modelling such a complex system. The CALPHAD (CALculation of PHAse Diagrams) approach provides a method in overcoming this challenge, by constructing a model, step-by-step with increasing complexity, i.e., starting with the pure solids and liquid to modelling binary and ternary melts, and moving on to higherorder systems, and with the possibility to eventually embed mobility. This approach has had great success in the metals industry and has allowed for production optimisation for a variety of alloys. In this project, we have developed a thermodynamic database for the CaO-Al2O3-SiO2-Fe-O-MgO system. This provides a much-needed update to the underlying thermodynamic data. In addition, prediction calculations made with our thermodynamic database are compared against technical clinkers analysed by XRD, XRF, and SEM-EDX. Future work will include developing further extensions to the thermodynamic database to include other elements such as sulfur to further model clinker diversity.

Original language	English
Title of host publication	Further Reduction of CO2-Emissions and Circularity in the Cement and Concrete Industry
Subtitle of host publication	16th International Congress on the Chemistry of Cement 2023 - ICCC2023
Place of Publication	Bangkok
Pages	603-606
Number of pages	4
Volume	1
Publication status	Published - 22 Sept 2023
Event	The 16th International Congress on the Chemistry of Cement 2023 - Centara Grand and Bangkok Convention Centre, Bangkok, Thailand Duration: 18 Sept 2023 → 22 Sept 2023 Conference number: 16 https://www.iccc2023.org/

Conference

Conference	The 16th International Congress on the Chemistry of Cement 2023
Abbreviated title	ICCC
Country/Territory	Thailand
City	Bangkok
Period	18/09/23 → 22/09/23
Internet address	https://www.iccc2023.org/

Bibliographical note

Acknowledgements
The authors would like to acknowledge the financial support of Nanocem/Innovandi for the funding of Core Project 17, of which this work was a part of. T. Hanein and W. Abdul were also supported by UKRI Future Leaders Fellowship (MR/V023829/1).

Keywords

Thermodynamic modelling
Clinker
Clinker production
CALPHAD
Characterisation

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Thermodynamic modelling of Portland cement clinkers. / Abdul, Wahab; Rößler, C.; Mawalala, Chancel et al.
Further Reduction of CO2-Emissions and Circularity in the Cement and Concrete Industry: 16th International Congress on the Chemistry of Cement 2023 - ICCC2023. Vol. 1 Bangkok, 2023. p. 603-606.

Research output: Chapter in Book/Report/Conference proceeding › Published conference contribution

Abdul, W, Rößler, C, Mawalala, C, Pisch, A, Hanein, T & Campbell Bannerman, M 2023, Thermodynamic modelling of Portland cement clinkers. in Further Reduction of CO2-Emissions and Circularity in the Cement and Concrete Industry: 16th International Congress on the Chemistry of Cement 2023 - ICCC2023. vol. 1, Bangkok, pp. 603-606, The 16th International Congress on the Chemistry of Cement 2023, Bangkok, Thailand, 18/09/23. <https://www.iccc-online.org/archive/>

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AU - Abdul, Wahab

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AU - Pisch, Alexander

AU - Hanein, T.

AU - Campbell Bannerman, Marcus

N1 - Conference code: 16

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N2 - Research into thermodynamic modelling allows for product and process optimisation of Portland cement clinkers. Due to the magnitude and chemistry of clinker production, there is a great challenge in modelling such a complex system. The CALPHAD (CALculation of PHAse Diagrams) approach provides a method in overcoming this challenge, by constructing a model, step-by-step with increasing complexity, i.e., starting with the pure solids and liquid to modelling binary and ternary melts, and moving on to higherorder systems, and with the possibility to eventually embed mobility. This approach has had great success in the metals industry and has allowed for production optimisation for a variety of alloys. In this project, we have developed a thermodynamic database for the CaO-Al2O3-SiO2-Fe-O-MgO system. This provides a much-needed update to the underlying thermodynamic data. In addition, prediction calculations made with our thermodynamic database are compared against technical clinkers analysed by XRD, XRF, and SEM-EDX. Future work will include developing further extensions to the thermodynamic database to include other elements such as sulfur to further model clinker diversity.

AB - Research into thermodynamic modelling allows for product and process optimisation of Portland cement clinkers. Due to the magnitude and chemistry of clinker production, there is a great challenge in modelling such a complex system. The CALPHAD (CALculation of PHAse Diagrams) approach provides a method in overcoming this challenge, by constructing a model, step-by-step with increasing complexity, i.e., starting with the pure solids and liquid to modelling binary and ternary melts, and moving on to higherorder systems, and with the possibility to eventually embed mobility. This approach has had great success in the metals industry and has allowed for production optimisation for a variety of alloys. In this project, we have developed a thermodynamic database for the CaO-Al2O3-SiO2-Fe-O-MgO system. This provides a much-needed update to the underlying thermodynamic data. In addition, prediction calculations made with our thermodynamic database are compared against technical clinkers analysed by XRD, XRF, and SEM-EDX. Future work will include developing further extensions to the thermodynamic database to include other elements such as sulfur to further model clinker diversity.

KW - Thermodynamic modelling

KW - Clinker

KW - Clinker production

KW - CALPHAD

KW - Characterisation

M3 - Published conference contribution

VL - 1

SP - 603

EP - 606

BT - Further Reduction of CO2-Emissions and Circularity in the Cement and Concrete Industry

CY - Bangkok

T2 - The 16th International Congress on the Chemistry of Cement 2023

Y2 - 18 September 2023 through 22 September 2023

ER -

Thermodynamic modelling of Portland cement clinkers

Abstract

Conference

Bibliographical note

Keywords

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