Toward an accurate equation of state for hard polyhedron fluids

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F25%3A00638692" target="_blank" >RIV/67985858:_____/25:00638692 - isvavai.cz</a>
Alternative codes found
RIV/44555601:13440/25:43899220
Result on the web
<a href="https://doi.org/10.1063/5.0264106" target="_blank" >https://doi.org/10.1063/5.0264106</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1063/5.0264106" target="_blank" >10.1063/5.0264106</a>

Result language
angličtina
Original language name
Toward an accurate equation of state for hard polyhedron fluids
Original language description
An alternative to corrected high-order virial expansions to derive an accurate equation of state for fluids made up of bodies of extreme nonsphericity is proposed. Instead of empirically corrected virial expansions of high order, we use the virial coefficients within the functional form of the hard convex body equation of state. The balance between the accuracy of the equation and the number of the used virial coefficients and adjustable parameters is examined. First, for the fluid of tetrahedra, the recommended equation with only three virial coefficients and four adjustable parameters is considered for the complete set of fourteen polyhedron fluids. An excellent agreement with simulation data is achieved for all the models. The next equation in accuracy is the equation of Tian et al. [Phys. Chem. Chem. Phys. 21, 13109 (2019)], which employs seven virial coefficients and two adjustable parameters. The results are also compared with purely theoretical equations, which are considerably inferior and have unpredictable accuracy for different models.
Czech name
—
Czech description
—

Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10403 - Physical chemistry

Project
<a href="/en/project/GA22-03380S" target="_blank" >GA22-03380S: Aqueous mixtures with salts under extreme conditions – accurate experiments, molecular simulations and modeling</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Similar results(10)