Aqueous interfaces play important roles in many fields including analytical, atmospheric or biochemistry, to name a few.  Detailed understanding of aqueous interfaces at molecular level requires powerful probe methods of the interfaces with acute sensitivity and selectivity.  Molecular dynamics simulation and vibrational sum frequency generation spectrosocpy are particularly powerful methods for probing the aqueous interfaces.  The present talk will deal with our most recent efforts to study aqueous interfaces with a combination of the two methods.  The topics include water-oil interfaces [1], role of 'buried' ions on the water solution surfaces [2], sulfate aerosols [3,4] and ice surface [5].[1] T. Ishiyama, Y. Sato, and A. Morita, J. Phys. Chem. C, 2012, 116, 21439. [2] T. Imamura, Y. Mizukoshi, T. Ishiyama, and A. Morita, J. Phys. Chem. C, 2012, 116, 11082. [3] T. Ishiyama, A. Morita, and T. Miyamae, Phys. Chem. Chem. Phys., 2011, 13, 20965. [4] T. Ishiyama and A. Morita, J. Phys. Chem. C, 2011, 115, 13704.[5] T. Ishiyama, H. Takahashi, and A. Morita, J. Phys. Chem. Lett. 2012, 3, 3001.

Theory and simulation of aqueous interfaces and their spectroscopy

246th National Meeting (2013)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.