Binary fluids in planar nanopores: Adsorptive selectivity, heat capacity and self-diffusivity
✍ Scribed by Susan A. Somers; K. Ganapathy Ayappa; Alon V. McCormick; H. Ted Davis
- Publisher
- Springer
- Year
- 1996
- Tongue
- English
- Weight
- 559 KB
- Volume
- 2
- Category
- Article
- ISSN
- 0929-5607
No coin nor oath required. For personal study only.
✦ Synopsis
Monte Carlo and molecular dynamics simulations are performed to study fluid adsorption of a two component fluid in slit pores of nanoscopic dimensions. The slit pores are immersed in a binary fluid bath, which is comprised of spherical molecules having a size ratio of 1.43, at constant temperature and composition. Pore width is varied to determine how the heat capacity and self-diffusion coefficient are linked to the composition and structure of the adsorbed fluid. In pores where the fluid structure is most pronounced, we observe: perfect (or near perfect) exclusion of one component by the other component, a heat capacity that rapidly oscillates and is of greater magnitude than in the fluid bath, and self-diffusion coefficients on the order of 10-8 cm 2 /s. The behavior of the heat capacity and diffusion coefficients appears to arise from a near solid-like layering of OMCTS that occurs at certain favorable pore widths.