Volume 2, Number 4 (12-2000)                   IJPR 2000, 2(4): 221-228 | Back to browse issues page


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M. M, K. M. Pressure and surface tension of soild-liquid interface using Tarazona density functional theory. IJPR. 2000; 2 (4) :221-228
URL: http://ijpr.iut.ac.ir/article-1-5-en.html

Abstract:   (10917 Views)

  The weighted density functional theory proposed by Tarazona is applied to study the solid-liquid interface. In the last two decades the weighted density functional became a useful tool to consider the properties of inhomogeneous liquids. In this theory, the role of the size of molecules or the particles of which the matter is composed, was found to be important. In this resarch we study a hard sphere fluid beside a hard wall. For this study the liquid is an inhomogeneous system. We use the definition of the direct correlation function as a second derivative of free energy with respect to the density. We use this definition and the definition of the weighting function, then we minimize the grand potential with respect to the density to get the Euler Lagrange equation and we obtain an integral equation to find the inhomogeneous density profile. The obtained density profile as a function of the distance from the wall, for different bulk density is plotted in three dimensions. We also calculate the pressure and compare it with the Carnahan-starling results, and finally we obtained the surface tension at liquid-solid interface and compared it with the results of Monte Carlo simulation.

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Type of Study: Research | Subject: General

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