Calculation of the solid solubilities in supercritical carbon dioxide using a new Gex mixing rule

作者: F. Esmaeilzadeh , H. As’adi , M. Lashkarbolooki

DOI: 10.1016/J.SUPFLU.2009.08.005

关键词: Supercritical carbon dioxideNon-random two-liquid modelVirial coefficientMixing (physics)Chemistryvan der Waals forceThermodynamicsSupercritical fluidGibbs free energyBinary system

摘要: Abstract The aim of this study is to develop a new EOS/G ex -type mixing rule with special attention calculating the solid solubilities aromatic hydrocarbons, aliphatic carboxylic acids, and heavy alcohols in supercritical carbon dioxide. A volume correction term applied combination second third virial coefficients which equation for coefficient quadratic, according suggestion by Hall Iglesias-Silva. In study, cubic Peng–Robinson (PR) Soave–Redlich–Kwong (SRK) equations state have been used calculate 23 solutes CO 2 , using six rules, namely, Wong–Sandler (WS) rule, Orbey–Sandler (OS) van der Waals one fluid (VDW1) two (VDW2) adjustable parameters, covolume dependent (CVD) rule. all cases, NRTL model was chosen as excess Gibbs free energy model. binary interaction parameters rules EOSs (PR SRK EOSs) determined 100 data sets systems over wide range temperatures pressures covering more than 970 experimental points are reported literature. results show that PR EOS accurate other solubility calculations regressed system, without any further modification, were then extended four ternary mixtures, giving satisfactory .

参考文章(68)
T. W. Zerda, B. Wiegand, J. Jonas, FTIR measurements of solubilities of anthracene in supercritical carbon dioxide Journal of Chemical & Engineering Data. ,vol. 31, pp. 274- 277 ,(1986) , 10.1021/JE00045A005
Kamel Khimeche, Paolo Alessi, Ireneo Kikic, Abdallah Dahmani, Solubility of diamines in supercritical carbon dioxide: Experimental determination and correlation Journal of Supercritical Fluids. ,vol. 41, pp. 10- 19 ,(2007) , 10.1016/J.SUPFLU.2006.09.004
Milton L. Lee, Karin E. Markides, Analytical supercritical fluid chromatography and extraction Chromatography Conferences, Inc.. ,(1990)
Stanisław Malanowski, Richard Montgomery Stephenson, D. Ambrose, Handbook of the thermodynamics of organic compounds ,(1987)
T. E. Daubert, R. P. Danner, Data compilation tables of properties of pure compounds Design Institute for Physical Property Data, American Institute of Chemical Engineers. ,(1985)
Frank P. Lucien, Neil R. Foster, Influence of matrix composition on the solubility of hydroxybenzoic acid isomers in supercritical carbon dioxide Industrial & Engineering Chemistry Research. ,vol. 35, pp. 4686- 4699 ,(1996) , 10.1021/IE950649Q
Esin Kosal, Gerald D. Holder, Solubility of anthracene and phenanthrene mixtures in supercritical carbon dioxide Journal of Chemical & Engineering Data. ,vol. 32, pp. 148- 150 ,(1987) , 10.1021/JE00048A005
V.S. Gangadhara Rao, M. Mukhopadhyay, Solid solubilities in supercritical fluids from group contributions Journal of Supercritical Fluids. ,vol. 3, pp. 66- 70 ,(1990) , 10.1016/0896-8446(90)90009-B
Michael L. Michelsen, A method for incorporating excess Gibbs energy models in equations of state Fluid Phase Equilibria. ,vol. 60, pp. 47- 58 ,(1990) , 10.1016/0378-3812(90)85042-9