Neutron Total Scattering Investigation of the Dissolution Mechanism of Trehalose in Alkali/Urea Aqueous Solution |
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| Authors: | Changli Ma,Taisen Zuo,Zehua Han,Yuqing Li,Sabrina Gä rtner,Huaican Chen,Wen Yin,Charles C. Han,He Cheng |
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| Affiliation: | 1.Institute of High Energy Physics, Chinese Academy of Sciences (CAS), Beijing 100049, China; (C.M.); (T.Z.); (Z.H.); (Y.L.); (H.C.); (W.Y.);2.Spallation Neutron Source Science Center, Dongguan 523803, China;3.University of Chinese Academy of Sciences, Beijing 100049, China;4.STFC ISIS Facility, Rutherford Appleton Laboratory, Didcot OX11 0QX, UK;5.Institute for Advanced Study, Shenzhen University, Shenzhen 508060, China; |
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| Abstract: | The atomic picture of cellulose dissolution in alkali/urea aqueous solution is still not clear. To reveal it, we use trehalose as the model molecule and total scattering as the main tool. Three kinds of alkali solution, i.e., LiOH, NaOH and KOH are compared. The most probable all-atom structures of the solution are thus obtained. The hydration shell of trehalose has a layered structure. The smaller alkali ions can penetrate into the glucose rings around oxygen atoms to form the first hydration layer. The larger urea molecules interact with hydroxide groups to form complexations. Then, the electronegative complexation can form the second hydration layer around alkali ions via electrostatic interaction. Therefore, the solubility of alkali aqueous solution for cellulose decreases with the alkali cation radius, i.e., LiOH > NaOH > KOH. Our findings are helpful for designing better green solvents for cellulose. |
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| Keywords: | neutron total scattering cellulose dissolution mechanism layered structure complexation |
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