Quantum hard spheres in a slit pore

In this paper, the density functional theory is employed to investigate the effects of quantumcorrection on the structure and such thermodynamic properties of quantum-mechanical hard sphere fluidsconfined in nano-slit pore as excess adsorption and wall pressure. It is found that the repulsion between hardsphere molecules because of quantum effect play an important role in determining the structure andthermodynamic properties of the confined fluid. Another finding of the present study involves the key role ofthe excluded volume in determining the structure and thermodynamic properties of quantum mechanical hardsphere fluids. By increasing of the quantum effect, λ*, the periodic oscillation in the density profile becomesmore obvious and the order of layers in the pore increases. Increasing the values of λ* is found to lead not onlyto drastic changes in the structure of the fluid molecules but also, to increased excess adsorption and wallpressure of the fluid confined in slit pores.

کلیدواژه ها:

DFT ، Semi-classical quantum fluid ، Slit pore ، Excess adsorption