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
|Author:||Gyakwaa, Francis1; Aula, Matti1; Alatarvas, Tuomas1;|
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
|Persistent link:|| http://urn.fi/urn:nbn:fi-fe2020111390353
John Wiley & Sons,
|Publish Date:|| 2021-07-16
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 R² 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 R² 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.
Steel research international
|Type of Publication:||
A1 Journal article – refereed
|Field of Science:||
215 Chemical engineering
216 Materials engineering
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 (Academy of Finland Funding decision)
© 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.