scholarly journals Perturbation Theory and Phase Behavior Calculations Using Equation of State Models

2020 ◽  
Author(s):  
Vassilis Gaganis

Equations of State (EoS) live at the heart of all thermodynamic calculations in chemical engineering applications as they allow for the determination of all related fluid properties such as vapor pressure, density, enthalpy, specific heat, and speed of sound, in an accurate and consistent way. Both macroscopic EoS models such as the classic cubic EoS models as well as models based on statistical mechanics and developed by means of perturbation theory are available. Under suitable pressure and temperature conditions, fluids of known composition may split in more than one phases, usually vapor and liquid while solids may also be present, each one exhibiting its own composition. Therefore, computational methods are utilized to calculate the number and the composition of the equilibrium phases at which a feed composition will potentially split so as to estimate their thermodynamic properties by means of the EoS. This chapter focuses on two of the most pronounced EoS models, the cubic ones and those based on statistical mechanics incorporating perturbation analysis. Subsequently, it describes the existing algorithms to solve phase behavior problems that rely on the classic rigorous thermodynamics context as well as modern trends that aim at accelerating computations.

2005 ◽  
Vol 77 (3) ◽  
pp. 513-530 ◽  
Author(s):  
Dana E. Knox

Solubilities in supercritical fluids are of great importance in a wide variety of applications. These applications include: production of controlled drug delivery systems, powder processing, pollution prevention and remediation, methods for spraying paints and coatings, precipitation/crystallization processes, bioseparations, and food processing. Examples of some of these applications will be given.Supercritical fluid processes make use of the significant variation of solubility with pressure when the solvent is a supercritical fluid. This permits the accomplishment of many processes that would be otherwise very difficult to achieve. To fully understand the benefits of such processes, one must understand the phase behavior of such systems. The types of phase behavior that can be observed will be discussed, along with the ways that this behavior can be used to modify solubilities in such fluids.There have been many methods proposed for the experimental determination of solubilities in supercritical fluids. These will be reviewed in general, and recommendations for preferred methods given.Solubilities in supercritical fluids can be correlated and predicted by making use of thermodynamic calculations involving equations of state, as well as by other methods. The various methods will be reviewed, and recommendations given for various applications.


2020 ◽  
Vol 2020 (9) ◽  
Author(s):  
Cesar Ayala ◽  
Xabier Lobregat ◽  
Antonio Pineda

Abstract We give the hyperasymptotic expansion of the energy of a static quark-antiquark pair with a precision that includes the effects of the subleading renormalon. The terminants associated to the first and second renormalon are incorporated in the analysis when necessary. In particular, we determine the normalization of the leading renormalon of the force and, consequently, of the subleading renormalon of the static potential. We obtain $$ {Z}_3^F $$ Z 3 F (nf = 3) = $$ 2{Z}_3^V $$ 2 Z 3 V (nf = 3) = 0.37(17). The precision we reach in strict perturbation theory is next-to-next-to-next-to-leading logarithmic resummed order both for the static potential and for the force. We find that the resummation of large logarithms and the inclusion of the leading terminants associated to the renormalons are compulsory to get accurate determinations of $$ {\Lambda}_{\overline{\mathrm{MS}}} $$ Λ MS ¯ when fitting to short-distance lattice data of the static energy. We obtain $$ {\Lambda}_{\overline{\mathrm{MS}}}^{\left({n}_f=3\right)} $$ Λ MS ¯ n f = 3 = 338(12) MeV and α(Mz) = 0.1181(9). We have also MS found strong consistency checks that the ultrasoft correction to the static energy can be computed at weak coupling in the energy range we have studied.


1972 ◽  
Vol 12 (02) ◽  
pp. 89-95 ◽  
Author(s):  
Ahmad H.M. Totonji ◽  
S.M. Farouq Ali

Abstract The chief objective of the study was to exercise control on the system phase behavior through the use of mixtures of two alcohols exhibiting opposite phase behavior characteristics in the alcohol-hydrocarbon-water system involved. Such systems were employed in displacements in porous media to ascertain their effectiveness. Introduction Displacement of oil and water in a porous medium by a mutually miscible alcohol or other solvent has been the subject of numerous investigations. This process, in spite of its limited scope as an oil recovery method, has certain mechanistic features that are of value in gaining an understanding of some of the newer recovery techniques (e.g., the Maraflood* process). The works of Gatlin and Slobod, proposing piston-like displacement of oil and water by a miscible alcohol; of Taber et al., describing the displacement mechanism in terms of the ternary phase behavior involved; and of Holm and Csaszar, defining displacement mechanism in terms of phase velocity ratio, are major contributions in this area. In a later work, Taber and Meyer suggested the addition of small amounts of oil and water (as the case may be) to the alcohol used for displacement, since this helped to obtain piston-like displacements with systems that are usually characterized by the efficient displacement of either oil or water. APPARATUS, EXPERIMENTAL PROCEDURE, AND SIMULATOR PROCEDURE, AND SIMULATOR The procedure employed for determining the equilibrium phase behavior of ternary systems involved the titration of a hydrocarbon-water (or brine) mixture by the particular solvent (pure alcohol, or alcohol mixture) for the determination of the binodal curve, and the analysis by refractive index measurement of ternary mixtures having known compositions for the determination of the tie lines. Since the procedure is valid for strictly ternary systems, its use in this case where essentially quaternary systems are involved would yield the total alcohol content rather than the correct proportion of each alcohol. The ternary diagrams presented should be viewed with this limitation in mind. presented should be viewed with this limitation in mind. The apparatus used for experimental runs in porous media consisted of a positive displacement Ruska pump and a core encased in a steel pipe. Suitable sampling apparatus and auxiliary equipment were employed. Most runs consisted of injecting a slug of the particular solvent into a core initially containing a residual oil (waterflood) or irreducible water saturation, at a constant rate, and then following the slug by water or brine. The effluent samples collected were analyzed for the hydrocarbon, water and alcohol in order to plot the production histories. Complete experimental details and fluid production histories. Complete experimental details and fluid properties are given in Ref. 6. Table 1 lists the properties properties are given in Ref. 6. Table 1 lists the properties of the porous media used. Computer simulations of some of the experimental runs, as well as exploratory simulations, were carried out using the method earlier reported. The method basically consists in the representation of a porous medium by a certain number of cells containing immobile oil (or oleic) and water (or aqueous) fractions into which alcohol is injected in a stepwise manner allowing for phase changes. SPEJ P. 89


2021 ◽  
pp. 35-40
Author(s):  
Denis Y. Kutovoy ◽  
Igor A. Yatsenko ◽  
Vladimir B. Yavkin ◽  
Aydar N. Mukhametov ◽  
Petr V. Lovtsov ◽  
...  

The actual problem of the possibility of using the equations of state for the gas phase of natural gas at temperatures below 250 K is considered. To solve it, the compressibility coefficients of natural gas obtained experimentally with high accuracy are required. The technique was developed and experimental study was carried out of compressibility factor aiming expanding temperature range of the state equations GERG-2004 and AGA8-DC92. The proposed technique is based on the fact that to assess the applicability of the equation of state, it is sufficient to obtain the relative value of the compressibility coefficient and not to determine its absolute value. The technique does not require complex equipment and provides high accuracy. The technique was tested on nitrogen, argon, air and methane. Uncertainty of determination of the compressibility factor is not greater than 0.1 %. For two different compositions of natural gas, obtained experimental data were demonstrated that the equations of state GERG-2004 and AGA8-92DC provide uncertainty of the calculation of the compressibility coefficient within 0.1 % in the temperature range from 220 K to 250 K and pressure below 5 MPa.


1986 ◽  
Vol 108 (1) ◽  
pp. 72-76 ◽  
Author(s):  
J. Modrey ◽  
Y. K. Younes

Rolling contact continuously variable transmissions (C.V.T.) transmit forces through a highly viscous spot between rolling-slipping contacts. The mechanics of the spot are characterized by complex elastohydrodynamic conditions and fluid properties only partially determinable at the extreme pressures of operation. A computer simulation of the spot mechanics based on extensions of research in less complex elastohydrodynamic situations was developed. Comparisons with parallel tests on a commercial C. V. T. verify that the simulation described in a good guide to design of this class of transmissions.


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