Korean Journal of Chemical Engineering, Vol.33, No.11, 3231-3244, 2016
Volumetric properties of supercritical carbon dioxide from volume-translated and modified Peng-Robinson equations of state
Following three well-established approaches, different modifications have been proposed that significantly improve the Peng-Robinson EOS’s predictions of the volumetric properties of carbon dioxide in the supercritical region. By making use of 5301 experimental PVT data points of supercritical carbon dioxide (SC-CO2), three models have been developed based on the volume-translation concept, modification of the alpha function of the attractive term of the Peng-Robinson EOS and the addition of a third translation parameter to the EOS. The experimental data considered encompass a wide temperature and pressure range of 304.35-1,273.15 K and 7.38-800.00MPa, respectively. According to the results from several graphical and statistical analyses, the proposed models can reliably be employed for prediction and representation of the volumetric properties of SC-CO2 with AARDs below 1.3%. Comparisons have also been made with the modified Redlich-Kwong EOS as well as the standard reference multiparameter EOS developed by Span and Wagner, demonstrating the comparable accuracy of the proposed models, while offering notably simpler mathematical formulation.
[References]
Schneider GM, Kautz CB, Tuma D, in Supercritical Fluids, Springer Netherlands, Dordrecht, 31 (2000), DOI:10.1007/978-94-011-3929-8_2.
Brunner G, Annu. Rev. Chem. Biomol. Eng. , DOI:10.1146/annurev-chembioeng-073009-101311., 1 , 321, 2010
de Melo MMR, Silvestre AJD, Silva CM, J. Supercrit. Fluids , DOI:10.1016/j.supflu.2014.04.007., 92 , 115, 2014
Fornari T, Vicente G, Vazquez E, Garcia-Risco MR, Reglero G, J. Chromatogr. A , DOI:10.1016/j.chroma.2012.04.051., 1250 , 34, 2012
Taylor LT, Anal. Chem. , DOI:10.1021/ac101194x., 82 , 4925, 2010
Brunner G, J. Supercrit. Fluids , DOI:10.1016/j.sup-flu.2008.09.002., 47 (3), 373, 2009
Brunner G, J. Supercrit. Fluids , DOI:10.1016/j.supflu.2008.09.001., 47 (3), 382, 2009
Debenedetti PG, Tom JW, Kwauk X, Yeo SD, Fluid Phase Equilib. , DOI:10.1016/0378-3812(93)87155-T., 82 , 311, 1993
Turk M, J. Supercrit. Fluids , DOI:10.1016/j.supflu.2008.09.008., 47 (3), 537, 2009
Rozzi NL, Singh RK, Compr. Rev. Food Sci. Food Saf. , DOI:10.1111/j.1541-4337.2002.tb00005.x., 1 , 33, 2002
Sekhon B, Int. J. PharmTech Res. , 2 , 810, 2010
Lang Q, Wai CM, Talanta , DOI:10.1016/S0039-9140(00)00557-9., 53 , 771, 2001
Rios A, Zougagh M, de Andres F, Bioanalysis , DOI:10.4155/bio.09.167., 2 , 9, 2010
Keskin S, Kayrak-Talay D, Akman U, Hortacsu O, J. Supercrit. Fluids , DOI:10.1016/j.supflu.2007.05.013., 43 (1), 150, 2007
Reverchon E, De Marco I, J. Supercrit. Fluids , DOI:10.1016/j.supflu.2006.03.020., 38 (2), 146, 2006
Tucker SC, Goodyear G, in Supercritical Fluids, Springer Netherlands, Dordrecht, 395 (2000), DOI:10.1007/978-94-011-3929-8_16.
Antal MJ, Brittain A, DeAlmeida C, Ramayya S, Roy JC, ACS Symposium Series , DOI:10.1021/bk-1987-0329.ch007., 329 , 77, 1987
Klein MT, Mentha YG, Torry LA, Ind. Eng. Chem. Res. , DOI:10.1021/ie00001a026., 31 , 182, 1992
Reverchon E, J. Supercrit. Fluids , DOI:10.1016/S0896-8446(97)00014-4., 10 (1), 1, 1997
Smith RM, J. Chromatogr. A , DOI:10.1016/S0021-9673(99)00617-2., 856 , 83, 1999
Heidaryan E, Jarrahian A, J. Supercrit. Fluids , DOI:10.1016/j.supflu.2013.05.009., 81 , 92, 2013
Sandler SI, An Introduction to Applied Statistical Thermodynamics, Wiley, 1st Ed. (2010).
Wilczek-Vera G, Vera JH, AIChE J. , DOI:10.1002/aic.14741., 61 (9), 2824, 2015
Deiters UK, Macias-Salinas R, Ind. Eng. Chem. Res. , DOI:10.1021/ie4038664., 53 (6), 2529, 2014
Smith R, Inomata H, Peters C, in Supercritical Fluid Science and Technology, 333 (2013), DOI:10.1016/B978-0-444-52215-3.00006-4.
Nazarzadeh M, Moshfeghian M, Fluid Phase Equilib. , DOI:10.1016/j.fluid.2012.10.003., 337 , 214, 2013
Abudour AM, Mohammad SA, Robinson RL, Gasem KAM, Fluid Phase Equilib. , DOI:10.1016/j.fluid.2013.04.002., 349 , 37, 2013
Peng DY, Robinson DB, Ind. Eng. Chem. Fundam. , DOI:10.1021/i160057a011., 15 , 59, 1976
Robinson DB, Peng DY, The characterization of the heptanes and heavier fractions for the GPA Peng-Robinson programs (Research Report RR-28), Gas Processors Association (1978).
van der Waals JD, Leiden University, The Netherlands (1873).
Google Scholar, (2016). https://scholar.google.com/scholar?hl=en&as_sdt=2005&sciodt=0,5&cites=4508945351855465254.
Valderrama JO, Ind. Eng. Chem. Res. , DOI:10.1021/ie020447b., 42 (8), 1603, 2003
Martin JJ, Ind. Eng. Chem. Fundam. , DOI:10.1021/i160070a001., 18 , 81, 1979
Peneloux A, Rauzy E, Freze R, Fluid Phase Equilib. , DOI:10.1016/0378-3812(82)80002-2., 8 , 7, 1982
de Sant'Ana HB, Ungerer P, de Hemptinne JC, Fluid Phase Equilib. , DOI:10.1016/S0378-3812(98)00441-5., 154 (2), 193, 1999
Baled H, Enick RM, Wu Y, McHugh MA, Burgess W, Tapriyal D, Morreale BD, Fluid Phase Equilib. , DOI:10.1016/j.fluid.2011.12.027., 317 , 65, 2012
Abudour AM, Mohammad SA, Robinson RL, Gasem KAM, Fluid Phase Equilib. , DOI:10.1016/j.fluid.2012.08.013., 335 , 74, 2012
Haghtalab A, Mahmoodi P, Mazloumi SH, Can. J. Chem. Eng. , DOI:10.1002/cjce.20519., 89 (6), 1376, 2011
Privat R, Visconte M, Zazoua-Khames A, Jaubert JN, Gani R, Chem. Eng. Sci. , DOI:10.1016/j.ces.2014.12.040., 126 , 584, 2015
Cramer NL, in Proceedings of the 1st International Conference on Genetic Algorithms, Ed. Grefenstette JJ, L. Erlbaum Associates Inc., Carnegie-Mellon University, Pittsburgh, PA, USA, 183 (1985).
Koza JR, Genetic programming: on the programming of computers by means of natural selection, MIT Press, Cambridge, MA, USA (1992).
Schmidt M, Lipson H, Science , DOI:10.1126/science.1165893., 324 , 81, 2009
Gandomi AH, Alavi AH, Ryan C, Handbook of Genetic Programming Applications, Springer International Publishing, Cham (2015), DOI:10.1007/978-3-319-20883-1.
Langdon WB, Gustafson SM, Genet. Program. Evolvable Mach. , DOI:10.1007/s10710-010-9111-4., 11 , 321, 2010
Schmidt M, Lipson H, Eureqa, Nutonian Inc., http://www.nutonian.com (2016).
Span R, Multiparameter Equations of State, Springer Berlin Heidelberg, Berlin, Heidelberg (2000), DOI:10.1007/978-3-662-04092-8.
Jacobsen RT, Penoncello SG, Lemmon EW, Span R, in Equations of State for Fluids and Fluid Mixtures, Eds. Sengers JV, Kayser RF, Peters CJ, White HJ, Elsevier, Amsterdam, 849 (2000), DOI:10.1016/S1874-5644(00)80008-9.
Span R, Wagner W, Lemmon EW, Jacobsen RT, Fluid Phase Equilib. , DOI:10.1016/S0378-3812(01)00416-2., 183-184 , 1, 2001
Span R, Wagner W, J. Phys. Chem. Ref Data , DOI:10.1063/1.555991., 25 , 1509, 1996
Zolghadr A, Escrochi M, Ayatollahi S, J. Chem. Eng. Data , DOI:10.1021/je301283e., 58 (5), 1168, 2013
Kodama D, Kato M, Kaneko T, Fluid Phase Equilib. , DOI:10.1016/j.fluid.2013.02.003., 357 , 57, 2013
Kato M, Kodama D, Kokubo M, Ohashi K, Hashimoto S, J. Chem. Eng. Data , DOI:10.1021/je100788g., 56 (3), 421, 2011
Gil L, Martinez-Lopez JF, Artal M, Blanco ST, Embid JM, Fernandez J, Otin S, Velasco I, J. Phys. Chem. B , DOI:10.1021/jp100184r., 114 (16), 5447, 2010
Kodama D, Kato M, Hashimoto S, Kaneko T, J. Supercrit. Fluids , DOI:10.1016/j.supflu.2010.09.019., 55 (2), 696, 2010
Mantilla ID, Cristancho DE, Ejaz S, Hall KR, Atilhan M, Iglesias-Silva GA, J. Chem. Eng. Data , DOI:10.1021/je1001158., 55 (11), 4611, 2010
Kodama D, Sugiyama K, Ono T, Kato M, J. Supercrit. Fluids , DOI:10.1016/j.supflu.2008.07.021., 47 (2), 128, 2008
Pensado AS, Padua AAH, Comunas MJP, Fernandez J, J. Supercrit. Fluids , DOI:10.1016/j.supflu.2007.10.004., 44 (2), 172, 2008
Suarez-Iglesias O, Medina I, Pizarro C, Bueno JL, Ind. Eng. Chem. Res. , DOI:10.1021/ie061591q., 46 (11), 3810, 2007
Liu K, Kiran E, Ind. Eng. Chem. Res. , DOI:10.1021/ie070274w., 46 (16), 5453, 2007
Kato M, Sugiyama K, Sato M, Kodama D, Fluid Phase Equilib. , DOI:10.1016/j.fluid.2007.01.033., 257 (2), 207, 2007
Pecar D, Dolecek V, J. Chem. Eng. Data , DOI:10.1021/je700373r., 52 (6), 2442, 2007
Pecar D, Dolecek V, J. Supercrit. Fluids , DOI:10.1016/j.supflu.2006.07.007., 40 (2), 200, 2007
Kato M, Kodama D, Sato M, Sugiyama K, J. Chem. Eng. Data , DOI:10.1021/je050514j., 51 (3), 1031, 2006
Skerget M, Cretnik L, Knez Z, Skrinjar M, Fluid Phase Equilib. , DOI:10.1016/j.fluid.2004.12.012., 231 (1), 11, 2005
Ferri A, Banchero M, Manna L, Sicardi S, J. Supercrit. Fluids , DOI:10.1016/S0896-8446(03)00114-1., 30 (1), 41, 2004
Eggers R, Jaeger P, in Supercritical Fluids as Solvents and Reaction Media, Elsevier, 363 (2004), DOI:10.1016/B978-044451574-2/50015-8.
Garmroodi A, Hassan J, Yamini Y, J. Chem. Eng. Data , DOI:10.1021/je020218w., 49 (3), 709, 2004
Zhang XF, Zhang XG, Han BX, Shi L, Li HP, Yang GY, J. Supercrit. Fluids , DOI:10.1016/S0896-8446(02)00038-4., 24 (3), 193, 2002
Klimeck J, Kleinrahm R, Wagner W, J. Chem. Thermodyn. , DOI:10.1006/jcht.2000.0711., 33 (3), 251, 2001
Ihmels EC, Gmehling J, Ind. Eng. Chem. Res. , DOI:10.1021/ie001135g., 40 (20), 4470, 2001
Shi L, Zhang X, Zhang X, Yang G, Han B, Yan H, Acta Physico-Chimica Sin. , DOI:10.3866/PKU.WHXB20000107, 16 , 31, 2000
Kodama D, Nakajima T, Tanaka H, Kato M, Netsu Bussei , DOI:10.2963/jjtp.12.186., 12 , 186, 1998
van der Gulik PS, Phys. A Stat. Mech. its Appl. , DOI:10.1016/S0378-4371(96)00466-9., 238 , 81, 1997
Lau WW, Hwang CA, Holste JC, Hall KR, Gammon BE, Marsh KN, J. Chem. Eng. Data , DOI:10.1021/je9700434., 42 (5), 900, 1997
Zhang Z, King JW, J. Chromatogr. Sci. , DOI:10.1093/chromsci/35.10.483., 35 , 483, 1997
Yaginuma R, Nakajima T, Tanaka H, Kato M, J. Chem. Eng. Data , DOI:10.1021/je9700028., 42 (4), 814, 1997
Nowak P, Tielkes T, Kleinrahm R, Wagner W, J. Chem. Thermodyn. , DOI:10.1006/jcht.1997.0208., 29 (8), 885, 1997
Docter A, Ruhr-Universitat Bochum (1997).
Seitz JC, Blencoe JG, J. Chem. Thermodyn. , DOI:10.1006/jcht.1996.0107., 28 (11), 1207, 1996
Ozer EO, Platin S, Akman U, Hortacsu O, Can. J. Chem. Eng. , DOI:10.1002/cjce.5450740615., 74 (6), 920, 1996
Akgerman A, Erkey C, Orejuela M, Ind. Eng. Chem. Res. , DOI:10.1021/ie950422v, 35 (3), 911, 1996
Kiran E, Pohler H, Xiong Y, J. Chem. Eng. Data , DOI:10.1021/je9501503., 41 (2), 158, 1996
Liu DJ, Kwauk M, Li HZ, Chem. Eng. Sci. , DOI:10.1016/0009-2509(96)00247-3., 51 (17), 4045, 1996
Roy BC, Goto M, Hirose T, Ind. Eng. Chem. Res. , DOI:10.1021/ie950357p., 35 (2), 607, 1996
Kodama D, Kubota N, Yamaki Y, Tanaka H, Kato M, Netsu Bussei , DOI:10.2963/jjtp.10.16., 10 , 16, 1996
Pohler H, Kiran E, J. Chem. Eng. Data , DOI:10.1021/je950273n., 41 (3), 482, 1996
Gokmenoglu Z, Xiong Y, Kiran E, J. Chem. Eng. Data , DOI:10.1021/je950260+., 41 (2), 354, 1996
Seitz JC, Blencoe JG, Bodnar RJ, J. Chem. Thermodyn. , DOI:10.1006/jcht.1996.0049., 28 (5), 521, 1996
Knez Z, Skerget M, Sencarbozic P, Rizner A, J. Chem. Eng. Data , DOI:10.1021/je00017a045., 40 (1), 216, 1995
Gonenc ZS, Akman U, Sunol AK, J. Chem. Eng. Data , DOI:10.1021/je00020a013., 40 (4), 799, 1995
Duarte-Garza H, Hwang CA, Kidd MW, Lau WWR, Moeller D, Eubank PT, Holste JC, Hall KR, Gammon BE, Marsh KN, GPA Res. Rep. , 1, 1995
Fenghour A, Wakeham WA, Watson JT, J. Chem. Thermodyn. , DOI:10.1006/jcht.1995.0019., 27 (2), 219, 1995
Dixon DJ, Johnston KP, Bodmeier RA, AIChE J. , DOI:10.1002/aic.690390113., 39 , 127, 1993
Sengers JMHL, Deiters UK, Klask U, Swidersky P, Schneider GM, Int. J. Thermophys. , DOI:10.1007/BF00502114., 14 , 893, 1993
Brachthauser K, Kleinrahm R, Losch HW, Wagner W, Fortschr.-Berichte VDI, R. 8, 371, 1 (1993).
Wells T, Foster NR, Chaplin RP, Ind. Eng. Chem. Res. , DOI:10.1021/ie00003a039., 31 , 927, 1992
Langenfeld JJ, Hawthorne SB, Miller DJ, Tehrani J, Anal. Chem. , DOI:10.1021/ac00043a014., 64 , 2263, 1992
Gilgen R, Kleinrahm R, Wagner W, J. Chem. Thermodyn. , DOI:10.1016/S0021-9614(05)80264-2., 24 , 1243, 1992
Giles NF, Oscarson JL, Rowley RL, Tolley WK, Izatt RM, Fluid Phase Equilib. , DOI:10.1016/0378-3812(92)80014-Z., 73 , 267, 1992
Tolley WK, Izatt RM, Oscarson JL, Thermochim. Acta , DOI:10.1016/0040-6031(91)80418-I., 181 , 127, 1991
Duschek W, Kleinrahm R, Wagner W, J. Chem. Thermodyn. , DOI:10.1016/0021-9614(90)90172-M., 22 , 827, 1990
Ely J, Haynes W, Bain B, J. Chem. Thermodyn. , DOI:10.1016/0021-9614(89)90036-0., 21 , 879, 1989
Tan CS, Liou DC, Ind. Eng. Chem. Res. , DOI:10.1021/ie00078a017., 27 , 988, 1988
Magee JW, Ely JF, Int. J. Thermophys. , DOI:10.1007/BF00503153., 9 , 547, 1988
Johns AI, Rashid S, Watson JTR, Clifford AA, J. Chem. Soc.-Perkin Trans. 1 , DOI:10.1039/f19868202235., 82 , 2235, 1986
Holste JC, Hall KR, Eubank PT, Esper G, Watson MQ, Warowny W, Bailey DM, Young JG, Bellomy MT, J. Chem. Thermodyn. , DOI:10.1016/0021-9614(87)90001-2., 19 , 1233, 1987
Scott AC, Johns AI, Watson JTR, Clifford AA, J. Chem. Soc.-Perkin Trans. 1 , DOI:10.1039/f19837900733., 79 , 733, 1983
Kuskova NV, Martynets VG, Matizen EV, Sartakov AG, Zhurnal Fiz. Khimii , 57 , 2971, 1983
Iwasaki H, J. Chem. Phys. , DOI:10.1063/1.441286., 74 , 1930, 1981
Haepp HI, Warme-und Stoffubertragung , 9 , 281, 1976
Shmonov VM, Shmulovich KI, Dokl. Akad. Nauk SSSR , 217 , 935, 1974
Tsiklis DS, Linshits LR, Rodkina IB, Zhurnal Fiz. Khimii , 48 , 1544, 1974
Tsiklis DS, Linshits LR, Rodkina IB, Zhurnal Fiz. Khimii , 48 , 1541, 1974
le Neindre B, Tufeu R, Bury P, Sengers JV, Berichte der Bunsengesellschaft fur Phys. Chemie , DOI:10.1002/bbpc.19730770410., 77 , 262, 1973
Besserer GJ, Robinson DB, J. Chem. Eng. Data , DOI:10.1021/je60057a033., 18 , 137, 1973
Tsiklis DS, Linshits LR, Tsimmerman SS, Teplofiz. Svoistva Veshchestv Mater. , 130, 1971
Vasserman AA, Golovskii EA, Tsymarnyi VA, Depos. Doc. VINITI , 1, 1970
Kirillin VA, Ulybin SA, Zherdev EP, Teplofiz. Svoistva Zhidk. Mater. Vses. Teplofiz. Konf. , 136, 1970
Kirillin VA, Ulybin SA, Zherdev EP, Teplofiz. Svoistva Veshchestv Mater. , 206, 1970
Kirillin VA, Ulybin SA, Yherdev EP, Teploenergetika , 16 , 94, 1969
Golovskii EA, Tsymarnyi VA, Teploenergetika , 67, 1969
Kirillin VA, Ulybin SA, Zherdev EP, Teploenergetika , 16 , 92, 1969
Vukalovich MP, Kobelev VP, Timoshenko NI, Teploenergetika , 81, 1968
Ku PS, Dodge BF, J. Chem. Eng. Data , DOI:10.1021/je60033a001., 12 , 158, 1967
Sass A, Dodge BF, Bretton RH, J. Chem. Eng. Data , DOI:10.1021/je60033a003., 12 , 168, 1967
Juza J, Kmonicek V, Sifner O, Physica , DOI:10.1016/0031-8914(65)90093-5., 31 , 1735, 1965
Kestin J, Whitelaw JH, Zien TF, Physica , DOI:10.1016/0031-8914(64)90211-3., 30 , 161, 1964
Vukalovich MP, Altunin VV, Timoshenko NI, Teploenergetika , 85, 1963
Guildner LA, J. Res. Natl. Bur. Stand. Sect. A , 63 , 333, 1962
Vukalovich MP, Altunin VV, Timoshenko NI, Teploenergetika , 56, 1962
Vukalovich MP, Altunin VV, Teploenergetika , 6 , 58, 1959
Kennedy GC, Am. J. Sci. , DOI:10.2475/ajs.252.4.225., 252 , 225, 1954
Reamer HH, Olds RH, Sage BH, Lacey WN, Ind. Eng. Chem. , DOI:10.1021/ie50409a019., 36 , 88, 1944
Michels A, Michels C, Wouters H, Proc. R. Soc. London. Ser. A , 153 , 214, 1935
NIST Standard Reference Database 103b (NIST TDE), http://trc.nist.gov/tde.html (2015).
Redlich O, Kwong JNS, Chem. Rev. , DOI:10.1021/cr60137a013., 44 , 233, 1949
Soave G, Chem. Eng. Sci. , DOI:10.1016/0009-2509(72)80096-4., 27 , 1197, 1972
Zendehboudi S, Rajabzadeh AR, Bahadori A, Chatzis I, Dusseault MB, Elkamel A, Lohi A, Fowler M, Ind. Eng. Chem. Res. , DOI:10.1021/ie303106z., 53 (4), 1645, 2014
Zendehboudi S, Shafiei A, Bahadori A, James LA, Elkamel A, Lohi A, Chem. Eng. Res. Des. , DOI:10.1016/j.cherd.2013.08.001., 92 (5), 857, 2014
이전 논문 다음 논문
Result Search