Approach to Improve Speed of Sound Calculation within PC-SAFT Framework
Publication: Research - peer-review › Journal article – Annual report year: 2012
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Approach to Improve Speed of Sound Calculation within PC-SAFT Framework. / Liang, Xiaodong; Maribo-Mogensen, Bjørn; Thomsen, Kaj; Yan, Wei; Kontogeorgis, Georgios.
In: Industrial & Engineering Chemistry Research, Vol. 51, No. 45, 2012, p. 14903-14914.Publication: Research - peer-review › Journal article – Annual report year: 2012
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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 -