| 摘要 |
The present invention relates to a method for screening an ionic liquid capable of dissolving cellulose, and more particularly, to a method for screening an ionic liquid capable of dissolving cellulose, wherein the method comprises: a step of collecting solubility data of ionic liquids capable of dissolving cellulose (Step 1); a step of optimizing geometric structures of the ionic liquids applied to the collection of solubility data of Step 1 to deduce a geometric structure with the minimum energy state (global minimum) (Step 2); a step of deducing molecular descriptors of the ionic liquid capable of dissolving cellulose from the geometric structure deduced from Step 2 (Step 3); and deducing an objective function consisting of molecular descriptors from the molecular descriptors deduced in Step 3 and the solubility data collected in Step 1 (Step 4). According to the method for screening an ionic liquid capable of dissolving cellulose of the present invention, the descriptors are deduced from the ionic liquids known as solvents capable of dissolving cellulose, and then the objective function capable of expressing the ionic liquids by using the deduced descriptor values, thereby screening the ionic liquid capable of dissolving cellulose, which meets to the objective function. Further, the ionic liquid screened according to the present invention can exhibit excellent solubility as compared with the conventional ionic liquids used as solvents of cellulose. |
