Prediction of the Boyle temperature, second virial coefficient and Zeno line using the cubic and volume – translated cubic equations of state

Khoshsima, Ali; Hosseini, Alireza

doi:10.1016/j.molliq.2017.07.064

Cited by 13 publications

(5 citation statements)

References 75 publications

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“…From this viewpoint, by accurately identifying the virial coefficients and how they depend on temperature and using VEOS, it can be easy to calculate and model the thermodynamic properties of fluids. Virial coefficients can be obtained using both experimental and theoretical methods [11][12][13][14][15][16][17][18][19][20][21][22][23]. Experimental methods consist of PVT measurements, speed of sound measurements, Joule-Thomson measurements, refractive index and relative permittivity measurements and vapor pressure, and enthalpy of vaporization measurements.…”

Section: Virial Equation Of State (Veos)mentioning

confidence: 99%

Modeling of Some Thermodynamic Properties of UF6 at Low Pressure Using Correlation Function

Najafi

2021

NEP

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The properties of uranium hexafluoride (UF6) are very important to the nuclear industry as a precursor for its enrichment. Therefore, it is significant to obtain the most accurate properties for this strategic compound. In this paper, some thermophysical properties of uranium hexafluoride (UF6) at low pressure and below the critical temperature are predicted. Also, by using its correlation function to the second virial coefficient and virial equation of state (VEOS) it is being modeled. The studied properties consisted of Joule-Thomson coefficient, enthalpy, deviation function, fugacity coefficient, thermal expansion, and isothermal compressibility. So far, several researchers have studied virial coefficients of UF6, and some of them have presented its correlation function of the second virial coefficient. In this paper, the studied correlation functions are the ones suggested by Dymond and Zarkova. The obtained results show that the correlation equations presented have a good ability to predict and model the thermophysical properties of uranium hexafluoride. Moreover, its deviation from the ideal state especially in the temperature range from 360 K up to critical temperature is satisfactory.

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Section: Virial Equation Of State (Veos)mentioning

confidence: 99%

Modeling of Some Thermodynamic Properties of UF6 at Low Pressure Using Correlation Function

Najafi

2021

NEP

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Section: Introductionmentioning

confidence: 99%

“…Due to the huge number of isomers of alkanes, determining the physicochemical properties of all compounds experimentally is an impossible task, so it is very meaningful to establish an estimation method. Until now, people have gradually established many valuable estimation methods, 1 − 95 such as (i) group-contribution (GC) methods, 4 , 9 , 18 , 37 , 54 , 55 , 70 , 86 (ii) estimating one physicochemical property from that of other compounds, 1 , 2 , 8 , 14 , 16 , 17 , 19 , 20 , 22 , 24 , 36 , 39 , 45 , 48 , 57 , 64 − 66 , 74 , 75 , 78 , 85 , 89 (iii) liquid equations of states (EoS)-based methods, 3 , 5 , 7 , 11 , 13 , 21 , 25 , 26 , 31 , 34 , 40 , 41 , 46 , 47 , 49 − 51 , 53 , 61 , 88 , 90 − 92 and (iv) quantitative structure–property relationships (QSPRs). 15 , 30 , 38 , 42 , 44 , 52 , 56 , 59 , 60 ...…”

Section: Introductionmentioning

confidence: 99%

New Method of NPOH Equation-Based to Estimate the Physicochemical Properties of Noncyclic Alkanes

Cao

2023

ACS Omega

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Changes in various physicochemical properties (P (n) ) of noncyclic alkanes can be roughly classified as linear and nonlinear changes. In our previous study, the NPOH equation was proposed to express nonlinear changes in the properties of organic homologues. Until now, there has been no general equation to express nonlinear changes in the properties of noncyclic alkanes involving linear and branched alkane isomers. This work, on the basis of NPOH equation, proposes a general equation to express nonlinear changes in the physicochemical properties of noncyclic alkanes, including a total of 12 properties, boiling point, critical temperature, critical pressure, acentric factor, heat capacity, liquid viscosity, and flash point, named as the "NPNA equation", as follows: ln(P, where a, b, c, and f are coefficients, and P (n) represents the property of the alkane with n carbon atom number. n, S CNE , ΔAOEI, and ΔAIMPI are number of carbon atoms, sum of carbon number effects, average odd− even index difference, and average inner molecular polarizability index difference, respectively. The obtained results show that various nonlinear changes in the properties of noncyclic alkanes can be expressed by the NPNA equation. Nonlinear and linear change properties of noncyclic alkanes can be correlated with four parameters, n, S CNE , ΔAOEI, and ΔAIMPI. The NPNA equation has the advantages of uniform expression, usage of fewer parameters, and high estimation accuracy. Furthermore, using the above four parameters, a quantitative correlation equation can be established between any two properties of noncyclic alkanes. Employing the obtained equations as model equations, the property data of noncyclic alkanes, involving 142 critical temperatures, 142 critical pressures, 115 acentric factors, 116 flash points, 174 heat capacities, 142 critical volumes, and 155 gas enthalpies of formation, a total of 986 values, were predicted, which have not be experimentally measured. NPNA equation not only can provide a simple and convenient estimation or prediction method for the properties of noncyclic alkanes but also can provide new perspectives for studying quantitative structure−property relationships of branched organic compounds.

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“…For instance, it is the isomorphism between lattice and continuous systems − or new Zeno-like states for the binodal. Besides, the Z-line is used to check both the reference and semiempirical equations of states (EOS’s).…”

Section: Introductionmentioning

confidence: 99%

“…The answer to it is important from a scientific point of view for understanding of the thermodynamic properties of supercritical fluid. In particular, the existence of universal ideal lines at the density–temperature plane for a wide class of substances should be taken into account in constructing of empirical wide-range equations of state for scientific and engineering calculations (see, for instance, refs and ). Besides, we have mentioned above that the Zeno-line regularities correlate with the range of interaction (see ref ).…”

Section: Introductionmentioning

confidence: 99%

Similarity Laws for the Lines of Ideal Free Energy and Chemical Potential in Supercritical Fluids

Apfelbaum

Воробьев

2017

J. Phys. Chem. B

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We have found the curves on the density-temperature plane, along which the values of free energy and chemical potential correspond to ideal gas quantities. At first, we have applied the van der Waals equation to construct them and to derive their equations. Then we have shown that the same lines for real substances (Ar, N, CH, SF, H, HO) and for the model Lennard-Jones system constructed on the basis of the measurements data and calculations are well matched with the derived equations. The validity and deviations from the obtained similarity laws are discussed.

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Prediction of the Boyle temperature, second virial coefficient and Zeno line using the cubic and volume – translated cubic equations of state

Cited by 13 publications

References 75 publications

Modeling of Some Thermodynamic Properties of UF6 at Low Pressure Using Correlation Function

Modeling of Some Thermodynamic Properties of UF6 at Low Pressure Using Correlation Function

New Method of NPOH Equation-Based to Estimate the Physicochemical Properties of Noncyclic Alkanes

Similarity Laws for the Lines of Ideal Free Energy and Chemical Potential in Supercritical Fluids

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