University of Oulu

Gyakwaa, F., Aula, M., Alatarvas, T., Shu, Q., Huttula, M. and Fabritius, T. (2020), Quantification of Synthetic Nonmetallic Inclusion Multiphase Mixtures from a CaO–Al2O3–MgO–CaS System Using Raman Spectroscopy. steel research int. 2000322. https://doi.org/10.1002/srin.202000322

Quantification of synthetic nonmetallic inclusion multiphase mixtures from a CaO–Al2O3–MgO–CaS system using Raman spectroscopy

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Author: Gyakwaa, Francis1; Aula, Matti1; Alatarvas, Tuomas1;
Organizations: 1Process Metallurgy Research Unit, University of Oulu, P.O. Box 4300, FI–90014 Oulu, Finland
2Nano and Molecular Systems Research Unit, University of Oulu, P.O. Box 4300, FI–90014 Oulu, Finland
Format: article
Version: accepted version
Access: embargoed
Persistent link: http://urn.fi/urn:nbn:fi-fe2020111390353
Language: English
Published: John Wiley & Sons, 2020
Publish Date: 2021-07-16
Description:

Abstract

Raman spectroscopy has features such as its relatively easy sample preparation. Therefore, its application plays a role in nonmetallic inclusion studies. Herein, use of Raman spectroscopy to quantify multiphase synthetic inclusion mixtures consisting of C12A7, CA, C3A, CaS, and MgO.Al2O3 is assessed. Partial least squares (PLS) regression is used to obtain a calibration model, and enhancement of the model performance is done using standard normal variate (SNV). From the calibration model, the root mean standard error (RMSE) in cross‐validation (RMSECV) values range between 3.82 and 6.13 wt%, the root mean square error of prediction (RMSEP) is within 2.0–4.04 wt%, and the value is between 0.93 and 0.99 for estimating the phases based on SNV Raman data. The raw Raman spectra data have RMSECV values between 9.83 and 16.46 wt%, the RMSEP ranges between 9.41 and 15.33 wt%, and is estimated within 0.71–0.95. The PLS regression has a satisfactory prediction performance with a high range error ratio (RER) and ratio of prediction‐to‐deviation (RPD) values for SNV Raman data. Herein, the use of Raman spectroscopy and a calibration model to quantify the specific phase in a multiphase synthetic inclusion mixture in CaO–Al₂O₃–MgO–CaS system are demonstrated.

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Series: Steel research international
ISSN: 1611-3683
ISSN-E: 1869-344X
ISSN-L: 1611-3683
DOI: 10.1002/srin.202000322
OADOI: https://oadoi.org/10.1002/srin.202000322
Type of Publication: A1 Journal article – refereed
Field of Science: 215 Chemical engineering
216 Materials engineering
Subjects:
CaS
Funding: The authors for this work wish to acknowledge the support of the I4Future doctoral programme funded by the European Union's H2020 under the Marie Skłodowska‐Curie grant agreement no. 713606 and the Academy of Finland Proliferation project (Academy of Finland, no. 311934).
EU Grant Number: (713606) I4FUTURE - Novel Imaging and Characterisation Methods in Bio, Medical, and Environmental Research and Technology Innovations
Academy of Finland Grant Number: 713606
Detailed Information: 713606 (Academy of Finland Funding decision)
Copyright information: © 2020 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. This is the peer reviewed version of the following article: Gyakwaa, F., Aula, M., Alatarvas, T., Shu, Q., Huttula, M. and Fabritius, T. (2020), Quantification of Synthetic Nonmetallic Inclusion Multiphase Mixtures from a CaO–Al2O3–MgO–CaS System Using Raman Spectroscopy. steel research int. 2000322, which has been published in final form at https://doi.org/10.1002/srin.202000322. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.