Comparison of two crossover procedures for describing thermodynamic behavior of normal alkanes from singular critical to regular classical regions

Asma Jamali, Andre P. C. M. Vinhal, Hassan Behnejad, Wei Yan, Georgios M. Kontogeorgis*

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

In this work, two crossover procedures were applied to the Soave-Redlich-Kwong (SRK) equation of state (EoS) in order to describe the thermodynamic behavior of hydrocarbons from far away up to close to the critical point. The first one is based on a renormalization group theory method, which uses a recursive procedure originally proposed by White and coworkers (Salvino and White, J. Chem. Phys. 96 (1992) 4559–4568). The second one incorporates the scaling laws close to the critical point into the cubic EoS, and was developed by Kiselev (Kiselev, Fluid Phase Equilibria, 147 (1998) 7–23). The classical and crossover SRK EoS are applied to describe the phase behavior of pure n-alkanes (from methane to n-decane), and the comparison with experimental data indicates that the non-mean-field models are superior to the classical one for the representations of vapor-liquid coexistence data, isothermal pressure-density data and critical properties. Additionally, a thorough comparison of the two crossover approaches is done indicating the advantages and disadvantages of each approach.
Original languageEnglish
JournalFluid Phase Equilibria
Volume495
Pages (from-to)33-46
ISSN0378-3812
DOIs
Publication statusPublished - 2019

Keywords

  • Critical point
  • Crossover
  • N-alkanes
  • Phase equilibrium

Cite this

@article{1e0b147962b44c6099aefea38af149e4,
title = "Comparison of two crossover procedures for describing thermodynamic behavior of normal alkanes from singular critical to regular classical regions",
abstract = "In this work, two crossover procedures were applied to the Soave-Redlich-Kwong (SRK) equation of state (EoS) in order to describe the thermodynamic behavior of hydrocarbons from far away up to close to the critical point. The first one is based on a renormalization group theory method, which uses a recursive procedure originally proposed by White and coworkers (Salvino and White, J. Chem. Phys. 96 (1992) 4559–4568). The second one incorporates the scaling laws close to the critical point into the cubic EoS, and was developed by Kiselev (Kiselev, Fluid Phase Equilibria, 147 (1998) 7–23). The classical and crossover SRK EoS are applied to describe the phase behavior of pure n-alkanes (from methane to n-decane), and the comparison with experimental data indicates that the non-mean-field models are superior to the classical one for the representations of vapor-liquid coexistence data, isothermal pressure-density data and critical properties. Additionally, a thorough comparison of the two crossover approaches is done indicating the advantages and disadvantages of each approach.",
keywords = "Critical point, Crossover, N-alkanes, Phase equilibrium",
author = "Asma Jamali and Vinhal, {Andre P. C. M.} and Hassan Behnejad and Wei Yan and Kontogeorgis, {Georgios M.}",
year = "2019",
doi = "10.1016/j.fluid.2019.04.030",
language = "English",
volume = "495",
pages = "33--46",
journal = "Fluid Phase Equilibria",
issn = "0378-3812",
publisher = "Elsevier",

}

Comparison of two crossover procedures for describing thermodynamic behavior of normal alkanes from singular critical to regular classical regions. / Jamali, Asma; Vinhal, Andre P. C. M.; Behnejad, Hassan; Yan, Wei; Kontogeorgis, Georgios M.

In: Fluid Phase Equilibria, Vol. 495, 2019, p. 33-46.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Comparison of two crossover procedures for describing thermodynamic behavior of normal alkanes from singular critical to regular classical regions

AU - Jamali, Asma

AU - Vinhal, Andre P. C. M.

AU - Behnejad, Hassan

AU - Yan, Wei

AU - Kontogeorgis, Georgios M.

PY - 2019

Y1 - 2019

N2 - In this work, two crossover procedures were applied to the Soave-Redlich-Kwong (SRK) equation of state (EoS) in order to describe the thermodynamic behavior of hydrocarbons from far away up to close to the critical point. The first one is based on a renormalization group theory method, which uses a recursive procedure originally proposed by White and coworkers (Salvino and White, J. Chem. Phys. 96 (1992) 4559–4568). The second one incorporates the scaling laws close to the critical point into the cubic EoS, and was developed by Kiselev (Kiselev, Fluid Phase Equilibria, 147 (1998) 7–23). The classical and crossover SRK EoS are applied to describe the phase behavior of pure n-alkanes (from methane to n-decane), and the comparison with experimental data indicates that the non-mean-field models are superior to the classical one for the representations of vapor-liquid coexistence data, isothermal pressure-density data and critical properties. Additionally, a thorough comparison of the two crossover approaches is done indicating the advantages and disadvantages of each approach.

AB - In this work, two crossover procedures were applied to the Soave-Redlich-Kwong (SRK) equation of state (EoS) in order to describe the thermodynamic behavior of hydrocarbons from far away up to close to the critical point. The first one is based on a renormalization group theory method, which uses a recursive procedure originally proposed by White and coworkers (Salvino and White, J. Chem. Phys. 96 (1992) 4559–4568). The second one incorporates the scaling laws close to the critical point into the cubic EoS, and was developed by Kiselev (Kiselev, Fluid Phase Equilibria, 147 (1998) 7–23). The classical and crossover SRK EoS are applied to describe the phase behavior of pure n-alkanes (from methane to n-decane), and the comparison with experimental data indicates that the non-mean-field models are superior to the classical one for the representations of vapor-liquid coexistence data, isothermal pressure-density data and critical properties. Additionally, a thorough comparison of the two crossover approaches is done indicating the advantages and disadvantages of each approach.

KW - Critical point

KW - Crossover

KW - N-alkanes

KW - Phase equilibrium

U2 - 10.1016/j.fluid.2019.04.030

DO - 10.1016/j.fluid.2019.04.030

M3 - Journal article

VL - 495

SP - 33

EP - 46

JO - Fluid Phase Equilibria

JF - Fluid Phase Equilibria

SN - 0378-3812

ER -