The structure of water near platinum and its significance in water-adsorbent system: molecular dynamics study.
Water structure around hydrophilic adsorbents is expected to differ from normal water structure. In some cases, a change of water structure seems to significantly affect phenomena involved in water-adsorbent systems. To investigate this, we have performed molecular dynamic simulations of three systems, water between (111) surfaces of Pt, water between (100) surfaces of Pt, and pure water at 298 K. For the analysis of water structure, we concentrated on the five-membered ring (R5) structure and six-membered ring (R6) structure, which are the most probable in nature. For both (111) and (100) of Pt, the ratio of hexameric ring/pentameric ring (R6/R5) in semibound regions was higher than that of bulk water, as expected. The function of adsorbent ceramics was explained in terms of the change of water structure when they are used as biomaterials, support materials, etc. The obscure mechanisms for the effects of medicine stones, antioxidants, etc., were also discussed from this point of view.
Jhon
Young In
YI
Department of Materials Science and Engineering, Korea Advanced Institute of Science and Technology, 373-1 Kusong-dong, Yusong-gu, 305-701, Taejon, South Korea. luke419@hanmail.net
Kim
Ho Gi
HG
Jhon
Mu Shik
MS