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

0573918 - ÚCHP 2024 RIV NL eng J - Článek v odborném periodiku
Hordiichuk, V. - Škvára, Jiří - Trokhymchuk, A. - Nezbeda, I.
Structure and thermodynamics of a short-range Lennard-Jones fluid reference.
Journal of Molecular Liquids. Roč. 386, 15 SEP (2023), č. článku 122483. ISSN 0167-7322. E-ISSN 1873-3166
Grant ostatní: NRFU(UA) 2020.02/0115
Institucionální podpora: RVO:67985858
Klíčová slova: der-walls equations * phase-diagrams * liquids * state
Obor OECD: Physical chemistry
Impakt faktor: 6, rok: 2022
Způsob publikování: Open access s časovým embargem

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.
Trvalý link: https://hdl.handle.net/11104/0344299