Shi-qi Zhou. How to Extend the Bridge Density Functional Approximation to the Conˉned Non-hard Sphere Fluid[J]. Chinese Journal of Chemical Physics , 2006, 19(4): 319-324. doi: 10.1360/cjcp2006.19(4).319.6
Citation: Shi-qi Zhou. How to Extend the Bridge Density Functional Approximation to the Conˉned Non-hard Sphere Fluid[J]. Chinese Journal of Chemical Physics , 2006, 19(4): 319-324. doi: 10.1360/cjcp2006.19(4).319.6

How to Extend the Bridge Density Functional Approximation to the Conˉned Non-hard Sphere Fluid

doi: 10.1360/cjcp2006.19(4).319.6
Funds:  This work was supported by the National Natural Science Foundation of China (No.20546004) and the Natural Science Foundation of Education Department of Hunan Province(No.04C711).
  • Received Date: 2005-09-14
  • A theoretical method was proposed to extend a bridge density functional approximation (BDFA) for the non-uniform hard sphere fluid to the non-uniform Lennard-Jones (L J) fluid. The DFT approach for LJ fluid is simple, quantitatively accurate in a wide range of coexistence phase and external field parameters.Especially, the DFT approach only needs a second order direct correlation function (DCF) of the coexistence bulk fluid as input, and is therefore applicable to the subcritical temperature region. The present theoretical method can be regarded as a non-uniform counterpart of the thermodynamic perturbation theory, in which it is not at the level of the free energy but at the level of the second order DCF.
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How to Extend the Bridge Density Functional Approximation to the Conˉned Non-hard Sphere Fluid

doi: 10.1360/cjcp2006.19(4).319.6
Funds:  This work was supported by the National Natural Science Foundation of China (No.20546004) and the Natural Science Foundation of Education Department of Hunan Province(No.04C711).

Abstract: A theoretical method was proposed to extend a bridge density functional approximation (BDFA) for the non-uniform hard sphere fluid to the non-uniform Lennard-Jones (L J) fluid. The DFT approach for LJ fluid is simple, quantitatively accurate in a wide range of coexistence phase and external field parameters.Especially, the DFT approach only needs a second order direct correlation function (DCF) of the coexistence bulk fluid as input, and is therefore applicable to the subcritical temperature region. The present theoretical method can be regarded as a non-uniform counterpart of the thermodynamic perturbation theory, in which it is not at the level of the free energy but at the level of the second order DCF.

Shi-qi Zhou. How to Extend the Bridge Density Functional Approximation to the Conˉned Non-hard Sphere Fluid[J]. Chinese Journal of Chemical Physics , 2006, 19(4): 319-324. doi: 10.1360/cjcp2006.19(4).319.6
Citation: Shi-qi Zhou. How to Extend the Bridge Density Functional Approximation to the Conˉned Non-hard Sphere Fluid[J]. Chinese Journal of Chemical Physics , 2006, 19(4): 319-324. doi: 10.1360/cjcp2006.19(4).319.6

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