4233

4004

كارشناسي ارشد

شيمي فيزيك

اصفهان: دانشگاه صنعتي اصفهان، دانشكده شيمي

1387

چهارده، 101، [II] ص.: مصور، جدول، نمودار

ص. ع. به فارسي و انگليسي

1396/03/02

كتابنامه

شيمي

شيمي

ID4004

به فارسي و انگليسي : قابل رويت در نسخه ديجيتال

102Abstract Lennard Jones fluid confined in slit nanopore was studied in this research Theresults that based on Molecular Dynamics simulation shows that fluid molecules in thesenanopores distribute unevenly These molecules strongly tend to gather adjacent to thewalls even when no attraction force between fluid molecules and walls Unevenlydistributed molecules led to increase the system entropy and make more stable system Theeffects of temperature density surface separation fluid wall interaction and confined fluiddensity have been considered in this research Confined fluid density in open slit nanopore was estimated with its equilibrium with bulk fluid This is usually different of bulk fluiddensity This density decreases with increasing temperature and increases with increasingbulk fluid density Also fluid wall interactions play an important role in confined fluiddensity For example when attraction force between fluid wall molecules increased fluidmolecules near the walls show solid like behavior and move in one slit along with wallsonly Finally the adsorbtion excess that expresses the tendency of molecules to entranceand exit from nanopores has been considered The results show that when surfaceseparation were integer multiple of molecules diameter the molecules strongly tend toenter in nanopore Therefore density of confined fluid as compared with bulk fluid will beincreased and if H is a half integer number this tendency will have at least amounted

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