Electronic Supplementary Material
Effects of lignin and hemicellulose contents on dissolution of wood pulp in aqueous NaOH/urea solution
Zhuqun Shi1* · Quanling Yang1 · Jie Cai2 · Shigenori Kuga1 · Yuji Matsumoto1
1Department of Biomaterial Sciences, Graduate School of Agricultural and Life Sciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, Tokyo 113-8657, Japan; 2College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072, China; *Author for correspondence (Phone: +81 3 5841 5264; Fax: +81 3 5841 2678, E-mail: )
Calculation of the proportion of cellulose polymorph and their relevant crystallite size based on the X-ray diffraction (XRD)
In order to calculate the proportion of each cellulose polymorph (cellulose I or II) related to the whole cellulose polymorphs (cellulose I and II) and their relevant crystallite size in the samples, simulated powder diffraction patterns (intensity versus 2θ) for both cellulose Iβ and II with several possible input peak widths at half maximum (pwhm) were calculated using the Mercury program and subjected to match the experimentally obtained XRD patterns by varying the proportions of simulated cellulose Iβ and II diffraction patterns, following the reported method and parameters of Dr. French et al. which were exhaustively described in their publications (French and Santiago Cintrόn 2013; French 2013). Then the proportion and input pwhm of the closely matched simulated cellulose Iβ and II powder diffraction pattern were thought to be the proportion and pwhm of cellulose I and II of the experimentally obtained XRD patterns of the samples (French and Santiago Cintrόn 2013; French 2013). Finally the relevant pwhm was used to calculate the crystallite size with the Scherrer equation (French and Santiago Cintrόn 2013; French 2013).
References
French AD, Santiago Cintrόn M (2013) Cellulose polymorphy, crystallite size, and the Segal Crystallinity Index. Cellulose 20:583–588
French AD (2013) Idealized powder diffraction patterns for cellulose polymorphs. Cellulose. doi:10.1007/s10570-013-0030-4
Cellulose polymorph / Input pwhm (°) / Crystallite size (Å) / Proportion of cellulose polymorpha (%)Chlorite-E. globules / Cellulose Iβ / 2.9 / 31.1 / 100
Cellulose II / - / - / 0
In-Chlorite-E. globules (20 °C)b / Cellulose Iβ / 2.9 / 31.1 / 70
Cellulose II / 3.0 / 30.0 / 30
In-Chlorite-E. globules (–20 °C)c / Cellulose Iβ / 3.0 / 30.0 / 15
Cellulose II / 2.9 / 31.0 / 85
4% NaOH-Chlorite-E. globules / Cellulose Iβ / 2.9 / 31.1 / 100
Cellulose II / - / - / 0
18% NaOH-Chlorite-E. globules / Cellulose Iβ / - / - / 0
Cellulose II / 2.5 / 36.0 / 100
Table S1. Cellulose polymorph, input pwhm, crystallite size and proportion of cellulose polymorph of Chlorite-E. globules and treated Chlorite-E. globules.
a Based on Cellulose Iβ and Cellulose II
b Insoluble fraction of Chlorite-E. globulus after treatment with 7% NaOH/12% urea/81% H2O at room temperature (20 °C)
c Insoluble fraction of Chlorite-E. globulus after treatment with 7% NaOH/12% urea/81% H2O at low temperature (–20 °C)
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