Approach to Improve Speed of Sound Calculation within PC-SAFT Framework

Publication: Research - peer-reviewJournal article – Annual report year: 2012

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@article{d36e6dfef77c497b8da30bd74fba415f,
title = "Approach to Improve Speed of Sound Calculation within PC-SAFT Framework",
keywords = "Speed of sound, EOS, PC-SAFT, Universal constants, Parameter estimation",
publisher = "American Chemical Society",
author = "Xiaodong Liang and Bjørn Maribo-Mogensen and Kaj Thomsen and Wei Yan and Georgios Kontogeorgis",
note = "© 2012 American Chemical Society",
year = "2012",
doi = "10.1021/ie3018127",
volume = "51",
number = "45",
pages = "14903--14914",
journal = "Industrial & Engineering Chemistry Research",
issn = "0888-5885",

}

RIS

TY - JOUR

T1 - Approach to Improve Speed of Sound Calculation within PC-SAFT Framework

A1 - Liang,Xiaodong

A1 - Maribo-Mogensen,Bjørn

A1 - Thomsen,Kaj

A1 - Yan,Wei

A1 - Kontogeorgis,Georgios

AU - Liang,Xiaodong

AU - Maribo-Mogensen,Bjørn

AU - Thomsen,Kaj

AU - Yan,Wei

AU - Kontogeorgis,Georgios

PB - American Chemical Society

PY - 2012

Y1 - 2012

N2 - An extensive comparison of SRK, CPA and PC-SAFT for speed of sound in normal alkanes has been performed. The results reveal that PC-SAFT captures the curvature of speed of sound better than cubic EoS but the accuracy is not satisfactory. Two approaches have been proposed to improve PC-SAFT’s accuracy for speed of sound: (i) putting speed of sound data into parameter estimation; (ii) putting speed of sound data into both universal constants regression and parameter estimation. The results have shown that the second approach can significantly improve the speed of sound (3.2%) prediction while keeping acceptable accuracy for the primary properties, i.e. vapor pressure (2.1%) and liquid density (1.5%). The two approaches have also been applied to methanol, and both give very good results.

AB - An extensive comparison of SRK, CPA and PC-SAFT for speed of sound in normal alkanes has been performed. The results reveal that PC-SAFT captures the curvature of speed of sound better than cubic EoS but the accuracy is not satisfactory. Two approaches have been proposed to improve PC-SAFT’s accuracy for speed of sound: (i) putting speed of sound data into parameter estimation; (ii) putting speed of sound data into both universal constants regression and parameter estimation. The results have shown that the second approach can significantly improve the speed of sound (3.2%) prediction while keeping acceptable accuracy for the primary properties, i.e. vapor pressure (2.1%) and liquid density (1.5%). The two approaches have also been applied to methanol, and both give very good results.

KW - Speed of sound

KW - EOS

KW - PC-SAFT

KW - Universal constants

KW - Parameter estimation

UR - http://pubs.acs.org/doi/abs/10.1021/ie3018127

U2 - 10.1021/ie3018127

DO - 10.1021/ie3018127

JO - Industrial & Engineering Chemistry Research

JF - Industrial & Engineering Chemistry Research

SN - 0888-5885

IS - 45

VL - 51

SP - 14903

EP - 14914

ER -