Exploring the polymorphism of dicalcium silicates using transfer learning enhanced machine learning atomic potentials

J López-Zorrilla, XM Aretxabaleta… - Journal of Chemical …, 2024 - ACS Publications
Belitic cements are a greener alternative to Ordinary Portland Cement due to the lower CO2
associated with their production. However, their low reactivity with water is currently a …

Phase equilibria of SiO2–Al2O3–Fe3O4-5 wt.% CaO system at 1400° C in air relevant to the production of continuous basalt fibers: Emphasis on spinel solid solution …

J Shi, C Jiang, Y Zhai, Y Qiu, H Shi, J Li, S Zhu… - Ceramics International, 2024 - Elsevier
A long-term foundational study aimed at developing a thermodynamic database for
continuous basalt fiber systems is in progress. In this work, the equilibrium phase relations of …

[PDF][PDF] Challenges and limitations in development of large thermodynamic databases for multiple molten phases using the Modified Quasichemical Formalism

D Shishin, M Shevchenko, E Nekhoroshev, E Jak - 2024 - researchgate.net
In the field of pyrometallurgy, the presence of multiple molten phases with distinct chemical
compositions, such as slags, mattes, speiss liquids, metals and molten salts, is a well-known …

[HTML][HTML] Thermodynamic re-optimisation of the CaO-SiO2 system integrated with experimental phase equilibria studies

E Nekhoroshev, M Shevchenko, S Cheng… - Ceramics …, 2024 - Elsevier
CaO-SiO 2 is the key system in ferrous and non-ferrous metallurgy, ceramic manufacture,
cement production, and other applications. A number of discrepancies and gaps in …

[HTML][HTML] Modification of the Activities of Components in Ca2SiO4–Ca3P2O8 Solid Solution at 1573 K

K Saito, M Hasegawa - ISIJ International, 2024 - jstage.jst.go.jp
The activities of components in Ca 2 SiO 4–Ca 3 P 2 O 8 solid solutions have been reported
by preceding studies as the basic thermodynamic data for phosphorus removal in the …

Thermodynamic modelling of Portland cement clinkers

W Abdul, C Rößler, C Mawalala… - … Reduction of CO2 …, 2023 - eprints.whiterose.ac.uk
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 …

Contribution to the high temperature thermodynamics of OPC clinker phases

CM Moundounga - 2022 - theses.hal.science
The materials produced by the cement industry have a significant role in daily life, notably
cement and concrete which form the basis of modern buildings, bridges and monuments …