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Élément Dublin Core | Valeur | Langue |
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dc.contributor.author | MESLI, Fouzia | - |
dc.contributor.author | MAHBOUB, Radia | - |
dc.contributor.author | MAHBOUB, Mourad | - |
dc.date.accessioned | 2013-04-30T09:07:25Z | - |
dc.date.available | 2013-04-30T09:07:25Z | - |
dc.date.issued | 2011-04 | - |
dc.identifier.issn | 1878-5352 | - |
dc.identifier.uri | http://dspace.univ-tlemcen.dz/handle/112/1858 | - |
dc.description | Arabian Journal of Chemistry, ISSN : 1878-5352, DOI : 10.1016/j.arabjc.2010.06.039, Issue : 2, Volume : 4, pp. 211-222, April 2011. | en_US |
dc.description.abstract | This work concerns the site–site interaction study of 256 particles using the Buckingham potential model. We have calculated the new parameters of the Buckingham potential using an iterative algorithm with a mean square method. This adapted model allows determining the characteristics for each state point. We have applied this model to study the liquefied natural gas LNG properties for methane-nitrogen and methane–nitrogen–ethane mixtures by molecular dynamics. We have calculated the thermodynamic, dynamic and structural properties for both the microcanonical NVT and the isothermal-isobaric NPT ensembles of binary and ternary systems from the SP1 to SP9 points. Then, we have compared the results between binary and ternary systems. We have obtained a good prediction on transport properties. From the calculated values of self-diffusion coefficient and viscosity, we have confirmed the liquid state of the liquefied natural gas LNG system. | en_US |
dc.language.iso | en | en_US |
dc.subject | Molecular dynamics | en_US |
dc.subject | Buckingham potential | en_US |
dc.subject | Binary and ternary mixtures | en_US |
dc.subject | Structural function | en_US |
dc.subject | Thermodynamic properties | en_US |
dc.subject | Transport characteristics | en_US |
dc.title | Molecular dynamics comparative study of methane–nitrogen and methane–nitrogen–ethane systems | en_US |
dc.type | Article | en_US |
Collection(s) : | Articles internationaux |
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Molecular-dynamics-comparative-study-of-methane-nitrogen.pdf | 43,14 kB | Adobe PDF | Voir/Ouvrir |
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