465920 Intermolecular Structure of Binary Mixture in Confined Spaces

Monday, November 14, 2016: 12:30 PM
Cyril Magnin II (Parc 55 San Francisco)
Taku Iiyama1,2, Masatsugu Yoshimoto1, Ryusuke Futamura2, Toshiya Otomo3 and Sumio Ozeki1, (1)Faculty of Science, Shinshu University, Matsumoto, Japan, (2)Center for Energy and Environmental Science, Shinshu University, Nagano, Japan, (3)High Energy Accelerator Research Organization, Tsukuba, Japan

The multi-component adsorption which is the coexistence state of two or more kinds of molecules in the small space is used in many of the applications using porous materials such as molecular separation, purification, and electric devices. It is expected that the unusual molecular mixing state in confined spaces. We have been applying the X-ray diffraction (XRD), neutron diffraction(ND) to elucidate the structure of adsorbed molecules in confined carbon spaces. Furthermore, the Reverse Monte Carlo (RMC) method was applied to obtain the intermolecular structure of confined molecules. RMC can provide the intermolecular structure which reproduces the experimental scattering data using geometrical parameters of adsorbents and adsorbate molecules including the multi-component adsorption and solution systems. We try to determine the 3-dimensional structural information by combination analysis of the RMC method and experimental scattering data. We will describe the intermolecular structure of binary mixture including the water, and alcohols in the hydrophobic nanospaces.

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