The density profiles of an associating fluid near the (1 0 0) plane of the fcc crystalline surface are studied by using a singlet level theory of inhomogeneous associating fluids. The model for the bulk fluid is the one-component hard sphere fluid with an embedded sticky attractive site inside the h
Density profiles for dimerizing fluid near a permeable surface
โ Scribed by Douglas Henderson; Andrij Trokhymchuk; Orest Pizio
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 314 KB
- Volume
- 245
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
A model of an associating fluid in contact with a penetrable surface is studied. This model associating fluid permits dimerization of the fluid species. The fluid-surface interaction is considered as an external field in the form of a Gaussian barrier. The density profiles of the particles are evaluated in the framework of the singlet level theory for inhomogeneous fluids. We use the HNCI approximation to describe the adsorption and penetration of the associated fluid into the barrier. A model of a composite surface consisting of a hard wall and a potential barrier is investigated also. The models can be used to generate adlayers of specific structure.
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