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DC Field | Value | Language |
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dc.contributor.author | Economou, I. G. | en |
dc.contributor.author | Raptis, V. E. | en |
dc.contributor.author | Melissas, V. S. | en |
dc.contributor.author | Theodorou, D. N. | en |
dc.contributor.author | Petrou, J. | en |
dc.contributor.author | Petropoulos, J. H. | en |
dc.date.accessioned | 2015-11-24T16:42:11Z | - |
dc.date.available | 2015-11-24T16:42:11Z | - |
dc.identifier.issn | 0378-3812 | - |
dc.identifier.uri | https://olympias.lib.uoi.gr/jspui/handle/123456789/8516 | - |
dc.rights | Default Licence | - |
dc.subject | molecular simulation | en |
dc.subject | polymer | en |
dc.subject | solubility | en |
dc.subject | diffusion coefficient | en |
dc.subject | membrane | en |
dc.subject | hydrocarbon separation | en |
dc.subject | silicone polymers | en |
dc.subject | permeability | en |
dc.subject | solubility | en |
dc.subject | density | en |
dc.subject | chains | en |
dc.title | Molecular simulation of structure, thermodynamic and transport properties of polymeric membrane materials for hydrocarbon separation | en |
heal.type | journalArticle | - |
heal.type.en | Journal article | en |
heal.type.el | Άρθρο Περιοδικού | el |
heal.identifier.primary | DOI 10.1016/j.fluid.2004.08.026 | - |
heal.identifier.secondary | <Go to ISI>://000229584900004 | - |
heal.identifier.secondary | http://ac.els-cdn.com/S0378381204003838/1-s2.0-S0378381204003838-main.pdf?_tid=80e60dc2-3581-11e3-9b2d-00000aab0f26&acdnat=1381831788_5ca9b987632fe25b567d6d59e40b6bed | - |
heal.language | en | - |
heal.access | campus | - |
heal.recordProvider | Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας | el |
heal.publicationDate | 2005 | - |
heal.abstract | Molecular dynamics simulation is used to model the microscopic structure (free volume in particular) and thermodynamic properties of a silicon-containing rubbery polymer that exhibits promising membrane properties for hydrocarbon separation. For this purpose, an accurate united atom force field is developed based on density functional theory calculations. Furthermore, molecular simulation is used to model the solubility and diffusivity of various n-alkanes in the polymer. Overall, the agreement between experimental data and simulation results is very satisfactory. (c) 2004 Elsevier B.V. All rights reserved. | en |
heal.publisher | Elsevier | en |
heal.journalName | Fluid Phase Equilibria | en |
heal.journalType | peer reviewed | - |
heal.fullTextAvailability | TRUE | - |
Appears in Collections: | Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ |
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File | Description | Size | Format | |
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Economou-2005-Molecular simulation.pdf | 225.11 kB | Adobe PDF | View/Open Request a copy |
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