A three dimensional integral equation is developed in order to compute water adsorption onto aggregates of spherical aerosol nano particles. The integral equation is derived from molecular density functional theory, with a weighted density approximation and a direct correlation function interpolation rule. Only required inputs are the direct correlation functions of the uniform fluid or gas at both high-density and low-density limits. The equation has been tested on argon adsorption onto a graphite planer substrate; the result corresponds well with previous simulation work. Adsorption of both noble gas and water onto a single spherical nano particle and aggregates of spherical nano particles has been computed with the developed equation. For the adsorption of a single spherical substrate, layer structure has been found, the adsorption shows a transition property when substrate size increases and when the substrate size is over 100?? the adsorption is nearly the same as that of a planer substrate. For adsorption of aggregates of spherical nano particles, not only much strong adsorption appears but also adsorption property changes with different configurations of spherical nano particles.
| Identifer | oai:union.ndltd.org:TEXASAandM/oai:repository.tamu.edu:1969.1/2692 |
| Date | 01 November 2005 |
| Creators | Nie, Chu |
| Contributors | William, Marlow, George, Kattawar, Hassan, Yassin, Robert, Lucchese |
| Publisher | Texas A&M University |
| Source Sets | Texas A and M University |
| Language | en_US |
| Detected Language | English |
| Type | Electronic Dissertation, text |
| Format | 1284733 bytes, electronic, application/pdf, born digital |
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