Structure and thermodynamics of a short-range Lennard-Jones fluid reference

被引:2
作者
Hordiichuk, Volodymyr [1 ]
Skvara, Jiri [2 ,3 ]
Trokhymchuk, Andrij [1 ]
Nezbeda, Ivo [3 ]
机构
[1] Natl Acad Sci Ukraine, Inst Condensed Matter Phys, UA-79011 Lvov, Ukraine
[2] Czech Acad Sci, Inst Chem Proc Fundamentals, Prague 16502, Czech Republic
[3] Univ JE Purkyne, Fac Sci, Usti Nad Labem 40096, Czech Republic
基金
新加坡国家研究基金会;
关键词
DER-WAALS EQUATIONS; PHASE-DIAGRAMS; LIQUIDS; STATE;
D O I
10.1016/j.molliq.2023.122483
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
As an attempt to develop a 'realistic', and yet theoretically tractable reference fluid for the development of a perturbed molecular-base equation of state for non-associating fluids, a Lennard-Jones-like model with a short-range attractive part has been constructed and studied. Its phase diagram has been determined along with its structure and other thermodynamic properties along selected isotherms. The model reproduces the structure of the parent Lennard-Jones fluid and its critical point falls below the triple point of the Lennard-Jones fluid. Since the model is also amenable to a theoretical treatment, it may be considered as a suitable realistic reference model for Lennard-Jones type fluids for a wide range of thermodynamic conditions.
引用
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页数:6
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