Molecular orientation distribution of regenerated cellulose fibers investigated with rotor synchronized solid state NMR spectroscopy

A regenerated cellulose fiber is, in contrast to cotton, a man-made fiber. In the fiber production, the cellulose polymer is subject to various processing steps, affecting the underlying molecular orientation distribution, which is a determining factor for mechanical properties of the fiber. In this...

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Vydané v:	Cellulose (London) Ročník 26; číslo 8; s. 4681 - 4692
Hlavní autori:	Svenningsson, Leo, Sparrman, Tobias, Bialik, Erik, Bernin, Diana, Nordstierna, Lars
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Dordrecht Springer Netherlands 01.05.2019 Springer Nature B.V
Predmet:	Anisotropy Bioorganic Chemistry Carbon cellulose Cellulose fibers Cellulose II cellulosic fibers Ceramics Chemical equilibrium Chemistry Chemistry and Materials Science Composites computer software cotton Crystalline cellulose Density functional theory Experiments Fiber Fourier transforms Glass glycosidic linkages Mechanical properties Methods Molecular order Molecular orientation Morphology Natural Materials NMR NMR spectroscopy nuclear magnetic resonance spectroscopy Order parameters Organic Chemistry Orientation Oriented polymer Original Research Physical Chemistry Polymer Sciences polymers Regenerated cellulose Rotors Spectrum analysis spinning stable isotopes Sustainable Development Symmetry Synthetic fibers Tensors Textile fibers wide-angle X-ray scattering X-ray scattering NMR Cellulose II Molecular order Oriented polymer Molecular orientation Regenerated cellulose Fiber
ISSN:	0969-0239, 1572-882X, 1572-882X
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Popis
Shrnutí:	A regenerated cellulose fiber is, in contrast to cotton, a man-made fiber. In the fiber production, the cellulose polymer is subject to various processing steps, affecting the underlying molecular orientation distribution, which is a determining factor for mechanical properties of the fiber. In this work, the molecular orientation distribution was determined in a 13 C natural abundance Lyocell regenerated cellulose fiber bundle using rotor synchronized magic angle spinning NMR spectroscopy (ROSMAS) to investigate the chemical shift anisotropy (CSA). The recorded signal intensities were compared with an analytical model of the experiment to find the order parameters reflecting the orientation of the fiber. The CSA tensor was calculated using density functional theory for the crystalline cellulose II structure, commonly found in regenerated cellulose, and is required as an input parameter. The expected order parameter values were only found when approximating the glycosidic bond and its CSA tensor as being parallel to the molecular frame with the order parameter P 2 = 0.45 ± 0.02 compared to P 2 = 0.46 ± 0.02 obtained with wide angle X-ray scattering on a fiber bundle. To make this method accessible to the community, we distribute the Matlab script for the simulation of spectra obtained by the ROSMAS experiment at github.com/LeoSvenningsson/ROSMAS.
Bibliografia:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 14 content type line 23
ISSN:	0969-0239 1572-882X 1572-882X
DOI:	10.1007/s10570-019-02430-z