Time scale of random sequential adsorption
A simple multiscale approach to the diffusion-driven adsorption from a solution to a solid surface is presented. The model combines two important features of the adsorption process: (i) the kinetics of the chemical reaction between adsorbing molecules and the surface; and (ii) geometrical constraint...
| Main Authors: | , |
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| Format: | Journal article |
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2007
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| _version_ | 1826276757262565376 |
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| author | Erban, R Chapman, S |
| author_facet | Erban, R Chapman, S |
| author_sort | Erban, R |
| collection | OXFORD |
| description | A simple multiscale approach to the diffusion-driven adsorption from a solution to a solid surface is presented. The model combines two important features of the adsorption process: (i) the kinetics of the chemical reaction between adsorbing molecules and the surface; and (ii) geometrical constraints on the surface made by molecules which are already adsorbed. The process (i) is modelled in a diffusion-driven context, i.e. the conditional probability of adsorbing a molecule provided that the molecule hits the surface is related to the macroscopic surface reaction rate. The geometrical constraint (ii) is modelled using random sequential adsorption (RSA), which is the sequential addition of molecules at random positions on a surface; one attempt to attach a molecule is made per one RSA simulation time step. By coupling RSA with the diffusion of molecules in the solution above the surface the RSA simulation time step is related to the real physical time. The method is illustrated on a model of chemisorption of reactive polymers to a virus surface. |
| first_indexed | 2024-03-06T23:18:39Z |
| format | Journal article |
| id | oxford-uuid:67fdcb88-4ff9-465b-b9c9-c840ce9604b0 |
| institution | University of Oxford |
| last_indexed | 2024-03-06T23:18:39Z |
| publishDate | 2007 |
| record_format | dspace |
| spelling | oxford-uuid:67fdcb88-4ff9-465b-b9c9-c840ce9604b02022-03-26T18:41:57ZTime scale of random sequential adsorptionJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:67fdcb88-4ff9-465b-b9c9-c840ce9604b0Mathematical Institute - ePrints2007Erban, RChapman, SA simple multiscale approach to the diffusion-driven adsorption from a solution to a solid surface is presented. The model combines two important features of the adsorption process: (i) the kinetics of the chemical reaction between adsorbing molecules and the surface; and (ii) geometrical constraints on the surface made by molecules which are already adsorbed. The process (i) is modelled in a diffusion-driven context, i.e. the conditional probability of adsorbing a molecule provided that the molecule hits the surface is related to the macroscopic surface reaction rate. The geometrical constraint (ii) is modelled using random sequential adsorption (RSA), which is the sequential addition of molecules at random positions on a surface; one attempt to attach a molecule is made per one RSA simulation time step. By coupling RSA with the diffusion of molecules in the solution above the surface the RSA simulation time step is related to the real physical time. The method is illustrated on a model of chemisorption of reactive polymers to a virus surface. |
| spellingShingle | Erban, R Chapman, S Time scale of random sequential adsorption |
| title | Time scale of random sequential adsorption |
| title_full | Time scale of random sequential adsorption |
| title_fullStr | Time scale of random sequential adsorption |
| title_full_unstemmed | Time scale of random sequential adsorption |
| title_short | Time scale of random sequential adsorption |
| title_sort | time scale of random sequential adsorption |
| work_keys_str_mv | AT erbanr timescaleofrandomsequentialadsorption AT chapmans timescaleofrandomsequentialadsorption |