Perturbation approach for equation of state for hard-sphere and Lennard–Jones pure fluids

Pramana

S B Khasare1¹  M S Deshpande¹ 

[1] 90, New Jagruti Colony, Katol Road, Nagpur 440 013, India$$

关键词: Equation of state (EOS);    LJ fluid;    HS fluid;    computer simulation.;   

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 摘 要 】

In this paper we have established the equation of state (EOS) for liquids. The EOS was established for hard-sphere (HS) fluid along with Lennard–Jones (LJ) fluid incorporating perturbation techniques. The calculations are based on suitable axiomatic functional forms for surface tension $S_m (r )$, $r ≥ d/2$ with intermolecular separation 𝑟, as a variable, and 𝑚 is an arbitrary real number (pole). The results for 𝛽 𝑃/ρ from the present EOS thus obtained are compared with Percus-Yevick (PY), scaled particle theory (SPT), and Carnahan–Starling (CS). In addition, we have found a simple EOS for the HS fluid in the region which represents the simulation data accurately.It is observed that, this EOS for HS gives, PY (pressure) for 𝑚 = 0, CS for 𝑚 = 4/5, whereas for 𝑚 = 1 it corresponds to SPT.

【 授权许可】

Unknown