Phase equilibrium of fluids confined in porous media from an extended Peng–Robinson equation of state

Travalloni, Leonardo; Castier, Marcelo; Tavares, Frederico W.

doi:10.1016/j.fluid.2013.10.049

Cited by 127 publications

(61 citation statements)

References 14 publications

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“…In future, we intend to incorporate an extended version of the PR EoS, as developed by Travalloni et al (2014), into the model in order to account for the effect of confinement in heterogeneous porous media (such as catalyst pellets) on the thermodynamic properties of the FTS reaction mixture. Thermodynamic effects will become particularly important when modelling the effect on the FTS process of using non-ideal reaction media such as supercritical fluid solvents.…”

Section: Resultsmentioning

confidence: 99%

Modeling the Fixed-Bed Fischer-Tropsch Reactor in Different Reaction Media

Hussain

Blank

Elbashir

2015

12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering

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Section: Resultsmentioning

confidence: 99%

Modeling the Fixed-Bed Fischer-Tropsch Reactor in Different Reaction Media

Hussain

Blank

Elbashir

2015

12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering

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“…Theoretical and semiempirical models used to predict the adsorption isotherms of gases require assumptions to be made on the pore geometry and the topology of the existing pore network. The most common workhorse models are based on simplified scenarios, typically either cylindrical [12][13][14][15][16][17] or slit-like [18][19][20][21][22][23] pore geometries. In contrast with these idealized conformations, a detailed analysis of porous materials (e.g., montmorillonite, silica, carbons, clays, etc.)…”

Section: Introductionmentioning

confidence: 99%

How does the shape and surface energy of pores affect the adsorption of nanoconfined fluids?

Müller

2020

AIChE Journal

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We report a systematic molecular simulation study of the behavior of Lennard-Jones fluids inside nanopores of diverse shapes, focusing on the effect that the pore geometry and the local energetic environment have on the adsorption isotherms. Infinitely long pores with polygon (triangle, square, pentagon, hexagon, octagon, decagon, and circle) cross sections are considered. Three different pore sizes commensurate with the molecular diameters along with three different values of fluid-solid energy interactions are chosen to perform Grand Canonical Monte Carlo simulations at a subcritical temperature. Overall, the effect of nanoconfinement on the adsorption of fluids is seen to be a delicate balance between the geometric packing restrictions imposed by the hard cores of the molecules and the surfaces, the excess adsorption induced by the presence (or absence) of energetically favored "hot spots" and the overall ratio of surface/bulk fluid volume present in the pore.

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“…Ma et al 23 modified the van der Waals EOS to model the phase behavior of hydrocarbon fluids for all ranges of pore sizes (from bulk fluid to confined fluid). Travalloni et al 24 proposed one model based on the PR EOS to study the phase equilibrium of pure fluids and mixture in porous media. Modifying the EOS is an applicable approach to characterize the confinement effect.…”

Section: Introductionmentioning

confidence: 99%

Impact of fluid property shift and capillarity on the recovery mechanisms of CO₂injection in tight oil reservoirs

Sarma

et al. 2019

Greenhouse Gases

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The phase equilibria with the confinement effect could shift in nano‐pores, which could have a great impact on the recovery mechanisms of CO2 injection in tight oil reservoirs; this has not been systematically studied. In this paper, the confinement effect with property shift and capillarity effect is introduced into the flash calculation of confined fluids. The Soave modification of the Redlich–Kwong equation of state is extended by the molecular‐wall collision parameter to describe the shifted pressure–volume–temperature properties of confined fluid, and the Young–Laplace equation is applied to evaluate the capillary pressure. This developed model could effectively be applied for phase equilibrium calculation in tight porous media because of the verification of experimental results. A binary mixture is investigated to study the different effect of capillary pressure and property shift on phase equilibria. Subsequently, a typical hydrocarbon fluid from Middle Bakken tight oil reservoirs is studied with CO2 injection. Results illustrate that the confinement effect could play an increasingly important part in the phase equilibrium state. The CO2 solubility and mass transfer driving force in tiny pores would be greater than those in large pores under the same conditions. The gas phase saturation would be smaller with the same compositions, which could extend the single‐phase region of fluid flow in porous media. Furthermore, bubble‐point pressure, the minimum miscible pressure of CO2/hydrocarbon, and the viscosity of tight oil dissolved with CO2 both decrease with the pore size, which has a good influence on tight oil recovery. In general, the confinement effect could effectively reinforce the recovery mechanisms of CO2 injection, which is conducive to the enhancement of tight oil recovery. © 2019 Society of Chemical Industry and John Wiley & Sons, Ltd.

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Phase equilibrium of fluids confined in porous media from an extended Peng–Robinson equation of state

Cited by 127 publications

References 14 publications

Modeling the Fixed-Bed Fischer-Tropsch Reactor in Different Reaction Media

Modeling the Fixed-Bed Fischer-Tropsch Reactor in Different Reaction Media

How does the shape and surface energy of pores affect the adsorption of nanoconfined fluids?

Impact of fluid property shift and capillarity on the recovery mechanisms of CO₂injection in tight oil reservoirs

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Phase equilibrium of fluids confined in porous media from an extended Peng–Robinson equation of state

Cited by 127 publications

References 14 publications

Modeling the Fixed-Bed Fischer-Tropsch Reactor in Different Reaction Media

Modeling the Fixed-Bed Fischer-Tropsch Reactor in Different Reaction Media

How does the shape and surface energy of pores affect the adsorption of nanoconfined fluids?

Impact of fluid property shift and capillarity on the recovery mechanisms of CO2injection in tight oil reservoirs

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Product

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Impact of fluid property shift and capillarity on the recovery mechanisms of CO₂injection in tight oil reservoirs