| 학회 |
한국화학공학회 |
| 학술대회 |
2011년 봄 (04/27 ~ 04/29, 창원컨벤션센터) |
| 권호 |
17권 1호, p.894 |
| 발표분야 |
촉매 및 반응공학 |
| 제목 |
The Effect of Hydrogen Bonding on Glucose Solubility in Water-mediated Ionic Liquids |
| 초록 |
The low solubility of glucose in ionic liquids (ILs) has hindered enzymatic synthesis of sugar ester. The restriction of low solubility of glucose in ILs can be overcome by mixing an aqueous glucose solution into ILs followed by water removal from the solution. The change in molecular interactions in water-mediated [Emim][TfO] system and pure [Emim][TfO] system was explored using all-atoms molecular dynamics simulations.We found that diffusivity of all components in the system ([Emim]+, [TfO] -, and glucose) in water-mediated [Emim][TfO] tends to be higher than that in pure [Emim][TfO]. Through the hydrogen bonding occupancy statistics and radial distribution function analysis, glucose molecules are found to interact more with water and anion, but less with other glucose molecules in water-mediated [Emim][TfO] as compared to those in pure [Emim][TfO]. Our simulation study shows that water acts as a co-solvent that disrupts glucose-anion and glucose-glucose interactions which consequently increases glucose solubility. |
| 저자 |
김호신1, 하성호2, Rakee Pani3, Abhishek Singh4, 이원길3, Yaroslava G. Yingling4, 구윤모1
|
| 소속 |
1인하대, 2한남대, 3Dept. of Material Science and Engineering, 4North Carolina State Univ. |
| 키워드 |
Ionic Liquids; molecular dynamics simulations; water interactions; glucose solubility
|
| E-Mail |
|
| 원문파일 |
초록 보기 |
