**************** The 23rd., Lab Seminar *****************

Date: Mon, March 13, 2006  PM 1:30-

Place: No.616 Seminar room
　　　　　　 Graduate School of Information Science

Speaker: Norio Takenaka

Title: Liquid-vapor interfacial properties of water-ammonia mixtures:
Dependence of ammonia concentration

Abstract:
 The equilibrium and dynamical properties of the liquid-vapor interfaces of
water-ammonia mixtures are investigated by means of molecular-dynamics
simulations. Altogether, we have simulated seven different systems of
differernt cncentration of ammonia. The inhomogenious density,
anisotropic orientational profiles, surface tension, and the pattern of
hydrogen bonding are calculated for both water and ammonia molecules
in order to charactrize the location, width, thermodynamic aspects, and
microscopic structure of the liquid-vapor interfaces of each of the
water-ammonia systems. The dynamical aspects of the interfaces are
investigated in terms of the anisotropic diffusion and dipole orientational
relaxation of water and ammonia molecules. The properties of the interfaces
are compared with those of the corresponding bulk phases. The
present theoretical results are also compared with experimental findings
wherever available.

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