Diffusion via space discretization method to study the concentration dependence of self-diffusivity under confinement
| dc.contributor.author | Sant, M. | en |
| dc.contributor.author | Papadopoulos, G. K. | en |
| dc.contributor.author | Theodorou, D. N. | en |
| dc.date.accessioned | 2015-11-24T19:24:21Z | |
| dc.date.available | 2015-11-24T19:24:21Z | |
| dc.identifier.issn | 1089-7690 | - |
| dc.identifier.uri | https://olympias.lib.uoi.gr/jspui/handle/123456789/22461 | |
| dc.rights | Default Licence | - |
| dc.title | Diffusion via space discretization method to study the concentration dependence of self-diffusivity under confinement | en |
| heal.abstract | The concentration dependence of self-diffusivity is investigated by means of a novel method, extending our previously developed second-order Markov process model to periodic media. Introducing the concept of minimum-crossing surface, we obtain a unique decomposition of the self-diffusion coefficient into two parameters with specific physical meanings. Two case studies showing a maximum in self-diffusivity as a function of concentration are investigated, along with two cases where such a maximum cannot be present. Subsequently, the method is applied to the large cavity pore network of the ITQ-1 (Mobil tWenty tWo, MWW) zeolite for methane (displaying a maximum in self-diffusivity) and carbon dioxide (no maximum), explaining the diffusivity trend on the basis of the evolution of the model parameters as a function of concentration. | en |
| heal.access | campus | - |
| heal.fullTextAvailability | TRUE | - |
| heal.identifier.primary | 10.1063/1.3370344 | - |
| heal.identifier.secondary | http://www.ncbi.nlm.nih.gov/pubmed/20387922 | - |
| heal.identifier.secondary | http://link.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000132000013134108000001 | - |
| heal.journalName | J Chem Phys | en |
| heal.journalType | peer-reviewed | - |
| heal.language | en | - |
| heal.publicationDate | 2010 | - |
| heal.recordProvider | Πανεπιστήμιο Ιωαννίνων. Σχολή Επιστημών Υγείας. Τμήμα Ιατρικής | el |
| heal.type | journalArticle | - |
| heal.type.el | Άρθρο Περιοδικού | el |
| heal.type.en | Journal article | en |
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