|
|||||
|
|
Clathrate-like structure of water around some nonelectrolytes in dilute solution as revealed by computer simulation and X-ray diffraction studies |
|
| Authors: | Hideki Tanaka Koichiro Nakanishi Keiko Nishikawa |
| Institution: | (1) Institute for Molecular Science, 444 Okazaki, Aichi, Japan;(2) Department of Industrial Chemistry and Division of Molecular Engineering, Kyoto University, Sakyo-ku, 606 Kyoto, Japan;(3) Department of Chemistry, Faculty of Science, Gakushuin University, Mejiro, Toshima-ku, 171 Tokyo, Japan |
| Abstract: | An X-ray diffraction measurement has been carried out for a 3.9 mol% aqueous solution of TBA (tertiary butylalcohol) with an energy-dispersive diffractometer. Constant temperature molecular dynamics calculation has also been made for an aqueous solution model simulating the above-mentioned mixture. Both results suggest the formation of a fairly stable clathrate-like structure of water around TBA molecules. |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ | |