研究・研究者
研究会・セミナー
| 演 題 | 「水溶液界面でのイオンの水和」 |
|---|---|
| 日 時 | 2006年02月03日(金) 15:00 |
| 講演者 | Prof.Pavel Jungwirth (Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic) |
| 場 所 | 計算科学研究センター2階 会議室 |
| 概 要 | We present a unified picture of the structure of the air/solution interface of aqueous electrolytes containing monovalent inorganic ions based on molecular dynamics simulations. In salt solutions and bases the positively charged ions, such as alkali cations, are repelled from the interface, while the anions, such as halides or hydroxide, exhibit a varying surface propensity, correlated primarily with the ion polarizability. The behavior of acids is different due to a significant propensity of hydronium cations for the air/solution interface. Therefore, both cations and anions exhibit enhanced concentrations at the surface and, consequently, these strong acids (unlike bases and salts) reduce the surface tension of water.In the second part of the talk we discuss new computational results concerning interfacial solvation of selected organic ions and ionic surfactants, brine rejection from freezing salt solutions, and ion solvation at protein surfaces. |
