Abstract
The atomic structure of amorphous sulfate hardwood pulp obtained via regeneration in a dimethyl acetamide–LiCl solution is studied with the use of X-ray diffraction and computer simulation. When dimethyl acetamide appears within a cellulose chain, it becomes swollen. A chosen cluster has a complex structure and contains two cellulose chains II distorted by twisting and bending and two chains deformed by dimethyl acetamide molecules. A cluster with the formula unit (C6O5H8.5Li1.5) • (H2O)2.8 is obtained after relaxation with the addition of water. The uncertainty-profile factor for the model and experimental curves of X-ray scattering intensity distribution I(s) is 8%, and the distribution curve of s-weighted interference function H(s) calculated for the model best fits the experimental curve.
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Original Russian Text © A.I. Prusskii, L.A. Aleshina, 2016, published in Vysokomolekulyarnye Soedineniya. Ser. A, 2016, Vol. 58, No. 3, pp. 268–281.
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Prusskii, A.I., Aleshina, L.A. Computer simulation of the atomic structure of regenerated cellulose. Polym. Sci. Ser. A 58, 386–398 (2016). https://doi.org/10.1134/S0965545X16030147
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DOI: https://doi.org/10.1134/S0965545X16030147