Use of Fourier Series in X-ray Diffraction (XRD) Analysis and Fourier-Transform Infrared Spectroscopy (FTIR) for Estimation of Crystallinity in Cellulose from Different Sources

Nicolás Montoya-Escobar, Daniel Ospina-Acero, Jorge Andrés Velásquez-Cock, Catalina Gómez-Hoyos, Angélica Serpa Guerra, Piedad Felisinda Gañan Rojo, Lina Maria Vélez Acosta, Juan Pablo Escobar, Natalia Correa-Hincapié, Omar Triana-Chávez, Robin Zuluaga Gallego, Pablo M. Stefani

    Research output: Contribution to journalArticle in an indexed scientific journalpeer-review

    40 Scopus citations

    Abstract

    Cellulose crystallinity can be described according to the crystal size and the crystallinity index (CI). In this research, using Fourier-transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD) methods, we studied the crystallinity of three different types of cellulose: banana rachis (BR), commercial cellulose (CS), and bacterial cellulose (BC). For each type of cellulose, we analyzed three different crystallization grades. These variations were obtained using three milling conditions: 6.5 h, 10 min, and unmilled (films). We developed a code in MATLAB software to perform deconvolution of the XRD data to estimate CI and full width at half-maximum (FWHM). For deconvolution, crystalline peaks were represented with Voigt functions, and a Fourier series fitted to the amorphous profile was used as the amorphous contribution, which allowed the contribution of the amorphous profile to be more effectively modeled. Comparisons based on the FTIR spectra and XRD results showed there were no compositional differences between the amorphous samples. However, changes associated with crystallinity were observed when the milling time was 10 min. The obtained CI (%) values show agreement with values reported in the literature and confirm the effectiveness of the method used in this work in predicting the crystallization aspects of cellulose samples.

    Original languageEnglish
    Article number5199
    JournalPolymers
    Volume14
    Issue number23
    DOIs
    StatePublished - Dec 2022

    Bibliographical note

    Publisher Copyright:
    © 2022 by the authors.

    Keywords

    • Fourier series
    • X-ray diffraction
    • cellulose
    • crystallinity
    • crystallinity index
    • infrared spectroscopy
    • peak deconvolution

    Types Minciencias

    • Artículos de investigación con calidad A1 / Q1

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