| 초록 |
Solvent mixture made of Urea and NaOH is known to be able to dissolve cellulose. We investigated the location of ions and Urea to figure out how the solvent mixture interacts with cellulose in equilibrium state, using Reference Interaction Site Model(RISM), Placevent, and Radial Distribution Function(RDF). Calculated the value of gibbs free energy, it is assumed that the cellulose is easily dissolved by solvent in equilibrium state. Unlike the previous research on MD simulation, Hydroxide ions and Sodium ions locates within 6Å around cellulose. Carbon and Nitrogen atoms of Urea locates near Sodium ions. This research suggests the new direction for dissolving of cellulose. |
