Modeling Hydrofluoroolefins with the Cubic Plus Association and Perturbed-Chain Statistical Associating Fluid Theory Equations of State

Kai Kang, Xiaopo Wang, Georgios M. Kontogeorgis, Xiaodong Liang*

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

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Abstract

Hydrofluoroolefins(HFOs) have been proposed as promising candidates for alternative refrigerants. In this work, a comprehensive comparison of the performance of the Cubic Plus Association (CPA) and (perturbed-chainstatistical associating fluid theory) (PC-SAFT) equations of state for six thermodynamic properties of HFOs is presented, in which 11parameter estimation methods are considered and analyzed. On the basis of the comparison with experimental data and a theoretical analysis, a method meeting both satisfactory results and simplicity is recommended for parameter estimation for this type of compounds. The results show that both CPA and PC-SAFT perform equally well for the prediction of vapor pressure, liquid density, and speed of sound in the gas phase. CPA provides better isobaric heat capacity predictions compared to PC-SAFT irrespectively of the estimation method used, but PC-SAFTpresents the best overall performance when all properties are considered.
Original languageEnglish
JournalIndustrial and Engineering Chemistry Research
Volume57
Pages (from-to)17289–17300
ISSN0888-5885
DOIs
Publication statusPublished - 2018

Cite this

@article{1e4db748fdfd4ca78533ce4aa1bbfe96,
title = "Modeling Hydrofluoroolefins with the Cubic Plus Association and Perturbed-Chain Statistical Associating Fluid Theory Equations of State",
abstract = "Hydrofluoroolefins(HFOs) have been proposed as promising candidates for alternative refrigerants. In this work, a comprehensive comparison of the performance of the Cubic Plus Association (CPA) and (perturbed-chainstatistical associating fluid theory) (PC-SAFT) equations of state for six thermodynamic properties of HFOs is presented, in which 11parameter estimation methods are considered and analyzed. On the basis of the comparison with experimental data and a theoretical analysis, a method meeting both satisfactory results and simplicity is recommended for parameter estimation for this type of compounds. The results show that both CPA and PC-SAFT perform equally well for the prediction of vapor pressure, liquid density, and speed of sound in the gas phase. CPA provides better isobaric heat capacity predictions compared to PC-SAFT irrespectively of the estimation method used, but PC-SAFTpresents the best overall performance when all properties are considered.",
author = "Kai Kang and Xiaopo Wang and Kontogeorgis, {Georgios M.} and Xiaodong Liang",
year = "2018",
doi = "10.1021/acs.iecr.8b04813",
language = "English",
volume = "57",
pages = "17289–17300",
journal = "Industrial & Engineering Chemistry Research",
issn = "0888-5885",
publisher = "American Chemical Society",

}

Modeling Hydrofluoroolefins with the Cubic Plus Association and Perturbed-Chain Statistical Associating Fluid Theory Equations of State. / Kang, Kai; Wang, Xiaopo; Kontogeorgis, Georgios M.; Liang, Xiaodong.

In: Industrial and Engineering Chemistry Research, Vol. 57, 2018, p. 17289–17300.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Modeling Hydrofluoroolefins with the Cubic Plus Association and Perturbed-Chain Statistical Associating Fluid Theory Equations of State

AU - Kang, Kai

AU - Wang, Xiaopo

AU - Kontogeorgis, Georgios M.

AU - Liang, Xiaodong

PY - 2018

Y1 - 2018

N2 - Hydrofluoroolefins(HFOs) have been proposed as promising candidates for alternative refrigerants. In this work, a comprehensive comparison of the performance of the Cubic Plus Association (CPA) and (perturbed-chainstatistical associating fluid theory) (PC-SAFT) equations of state for six thermodynamic properties of HFOs is presented, in which 11parameter estimation methods are considered and analyzed. On the basis of the comparison with experimental data and a theoretical analysis, a method meeting both satisfactory results and simplicity is recommended for parameter estimation for this type of compounds. The results show that both CPA and PC-SAFT perform equally well for the prediction of vapor pressure, liquid density, and speed of sound in the gas phase. CPA provides better isobaric heat capacity predictions compared to PC-SAFT irrespectively of the estimation method used, but PC-SAFTpresents the best overall performance when all properties are considered.

AB - Hydrofluoroolefins(HFOs) have been proposed as promising candidates for alternative refrigerants. In this work, a comprehensive comparison of the performance of the Cubic Plus Association (CPA) and (perturbed-chainstatistical associating fluid theory) (PC-SAFT) equations of state for six thermodynamic properties of HFOs is presented, in which 11parameter estimation methods are considered and analyzed. On the basis of the comparison with experimental data and a theoretical analysis, a method meeting both satisfactory results and simplicity is recommended for parameter estimation for this type of compounds. The results show that both CPA and PC-SAFT perform equally well for the prediction of vapor pressure, liquid density, and speed of sound in the gas phase. CPA provides better isobaric heat capacity predictions compared to PC-SAFT irrespectively of the estimation method used, but PC-SAFTpresents the best overall performance when all properties are considered.

U2 - 10.1021/acs.iecr.8b04813

DO - 10.1021/acs.iecr.8b04813

M3 - Journal article

VL - 57

SP - 17289

EP - 17300

JO - Industrial & Engineering Chemistry Research

JF - Industrial & Engineering Chemistry Research

SN - 0888-5885

ER -