Neutron Total Scattering Investigation on the Dissolution Mechanism of Trehalose in Alkali/Urea Aqueous Solution
作者：Changli Ma, Taisen Zuo, Zehua Han, Yuqing Li, Huaican Chen, Wen Yin, Charles C. Han, He Cheng*
關鍵字：cellulose; dissolution mechanism
論文來源：期刊
具體來源：Molecules, 27(11), 3395, 2022
發表時間：2022年
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.