LAPSE:2023.0647
Published Article

LAPSE:2023.0647
Identification of the Elemental Composition of Granulated Blast Furnace Slag by FTIR-Spectroscopy and Chemometrics
February 20, 2023
Abstract
Blast furnace slag is a key large-tonnage waste product of metallurgical production, which is considered to be a promising alternative material in construction. In order to determine the scope of potential use of slag as a marketable product, it is necessary to study its structure and composition, which is determined by means of modern analytical instrumental methods. This paper analyzes the application of Fourier transform infrared spectroscopy (FTIR) and chemometrics methods to develop calibration models for identifying pelletized slag by elemental composition. In a comparative analysis of FTIR-spectra of slag the characteristic frequencies of absorption bands responsible for the content of calcite, silicates and aluminosilicates in the composition of samples were determined. Multivariate regression methods (principal components regression, partial least squares regression) and data of elemental composition results by EDX method were used to develop calibration models for determining elemental composition of granulated blast furnace slag. Using the developed PLS models with high performance (R2 from 0.91 to 0.96 for different components), the prediction of the elemental composition (Ca, Si, O, Mg) of the test sample was carried out and a low deviation of the prediction in contrast to the EDX reference data was obtained. The use of PLS calibration models for rapid and nondestructive determination of the quantitative content of components of the composition of granulated blast furnace slag has been proposed.
Blast furnace slag is a key large-tonnage waste product of metallurgical production, which is considered to be a promising alternative material in construction. In order to determine the scope of potential use of slag as a marketable product, it is necessary to study its structure and composition, which is determined by means of modern analytical instrumental methods. This paper analyzes the application of Fourier transform infrared spectroscopy (FTIR) and chemometrics methods to develop calibration models for identifying pelletized slag by elemental composition. In a comparative analysis of FTIR-spectra of slag the characteristic frequencies of absorption bands responsible for the content of calcite, silicates and aluminosilicates in the composition of samples were determined. Multivariate regression methods (principal components regression, partial least squares regression) and data of elemental composition results by EDX method were used to develop calibration models for determining elemental composition of granulated blast furnace slag. Using the developed PLS models with high performance (R2 from 0.91 to 0.96 for different components), the prediction of the elemental composition (Ca, Si, O, Mg) of the test sample was carried out and a low deviation of the prediction in contrast to the EDX reference data was obtained. The use of PLS calibration models for rapid and nondestructive determination of the quantitative content of components of the composition of granulated blast furnace slag has been proposed.
Record ID
Keywords
chemical composition, chemometrics, infrared spectroscopy, metallurgical slag, PCR, PLS
Subject
Suggested Citation
Metlenkin DA, Kiselev NV, Platov YT, Khaidarov BB, Khaidarov TB, Kolesnikov EA, Kuznetsov DV, Gorokhovsky AV, Offor PO, Burmistrov IN. Identification of the Elemental Composition of Granulated Blast Furnace Slag by FTIR-Spectroscopy and Chemometrics. (2023). LAPSE:2023.0647
Author Affiliations
Metlenkin DA: Engineering Center, Plekhanov Russian University of Economics, 115054 Moscow, Russia [ORCID]
Kiselev NV: Engineering Center, Plekhanov Russian University of Economics, 115054 Moscow, Russia; Department of Functional Nanosystems and High-Temperature Materials, National University of Science and Technology “MISiS”, 119049 Moscow, Russia [ORCID]
Platov YT: Engineering Center, Plekhanov Russian University of Economics, 115054 Moscow, Russia
Khaidarov BB: Department of Functional Nanosystems and High-Temperature Materials, National University of Science and Technology “MISiS”, 119049 Moscow, Russia
Khaidarov TB: Department of Functional Nanosystems and High-Temperature Materials, National University of Science and Technology “MISiS”, 119049 Moscow, Russia
Kolesnikov EA: Department of Functional Nanosystems and High-Temperature Materials, National University of Science and Technology “MISiS”, 119049 Moscow, Russia [ORCID]
Kuznetsov DV: Department of Functional Nanosystems and High-Temperature Materials, National University of Science and Technology “MISiS”, 119049 Moscow, Russia
Gorokhovsky AV: Department of Functional Nanosystems and High-Temperature Materials, National University of Science and Technology “MISiS”, 119049 Moscow, Russia
Offor PO: Metallurgical and Materials Engineering Department, University of Nigeria, Nsukka 410001, Nigeria
Burmistrov IN: Department of Functional Nanosystems and High-Temperature Materials, National University of Science and Technology “MISiS”, 119049 Moscow, Russia [ORCID]
Kiselev NV: Engineering Center, Plekhanov Russian University of Economics, 115054 Moscow, Russia; Department of Functional Nanosystems and High-Temperature Materials, National University of Science and Technology “MISiS”, 119049 Moscow, Russia [ORCID]
Platov YT: Engineering Center, Plekhanov Russian University of Economics, 115054 Moscow, Russia
Khaidarov BB: Department of Functional Nanosystems and High-Temperature Materials, National University of Science and Technology “MISiS”, 119049 Moscow, Russia
Khaidarov TB: Department of Functional Nanosystems and High-Temperature Materials, National University of Science and Technology “MISiS”, 119049 Moscow, Russia
Kolesnikov EA: Department of Functional Nanosystems and High-Temperature Materials, National University of Science and Technology “MISiS”, 119049 Moscow, Russia [ORCID]
Kuznetsov DV: Department of Functional Nanosystems and High-Temperature Materials, National University of Science and Technology “MISiS”, 119049 Moscow, Russia
Gorokhovsky AV: Department of Functional Nanosystems and High-Temperature Materials, National University of Science and Technology “MISiS”, 119049 Moscow, Russia
Offor PO: Metallurgical and Materials Engineering Department, University of Nigeria, Nsukka 410001, Nigeria
Burmistrov IN: Department of Functional Nanosystems and High-Temperature Materials, National University of Science and Technology “MISiS”, 119049 Moscow, Russia [ORCID]
Journal Name
Processes
Volume
10
Issue
11
First Page
2166
Year
2022
Publication Date
2022-10-22
ISSN
2227-9717
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PII: pr10112166, Publication Type: Journal Article
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LAPSE:2023.0647
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