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Received May 12, 2012
Accepted July 28, 2012
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Thermodynamic modeling of PVTx properties for several water/hydrocarbon systems in near-critical and supercritical conditions
Department of Chemical Engineering, University of Kashan, Kashan, Iran 1Department of Chemical and Petroleum Engineering, Sharif University of Technology, Tehran, Iran
mozdianfard@kashanu.ac.ir
Korean Journal of Chemical Engineering, January 2013, 30(1), 201-212(12), 10.1007/s11814-012-0123-z
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Abstract
Both the equation of state-excess Gibbs energy (EoS/GE) model and the cubic plus association (CPA) equation of state (EoS) are compared in this study with respect to their accuracy in the correlation of PVTx for systems such as water/methanol, water/ethanol, water/benzene, water/toluene, water/methane, water/n-butane, water/n-pentane, water/n-hexane, water/heptane, and water/octane, in supercritical conditions within temperature and pressure ranges of (573-698 K) and (7.0-276.0MPa), respectively. In the proposed EoS/GE model, Peng-Robinson (PR) equation of state, linear combination Vidal-Michelsen (LCVM) and Wong-Sandler (WS) mixing rules in conjunction with UNIQUAC activity coefficient model were used. Correlation of both CPA and EoS/GE models was evaluated by comparing the results with the experimental data. Average absolute relative deviation (AARD) for WS, LCVM, and CPA was found to be 2.99,_x000D_
11.11 and 5.14%, respectively, indicating better correlation of WS model with the experimental data.
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Voutsas E, Magoulas K, Tassios D, Ind. Eng. Chem. Res., 43(19), 6238 (2004)
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Folas GK, Kontogeorgis GM, Michelsen ML, Stenby EH, Ind. Eng. Chem. Res., 45(4), 1516 (2006)
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Banerjee T, Singh MK, Sahoo RK, Khanna A, Fluid Phase Equilib., 234(1-2), 64 (2005)
Singh MK, Banerjee T, Khanna A, Comput. Chem. Eng., 29(8), 1712 (2005)
Valderrama JO, Zavaleta J, J. Supercrit. Fluids, 39(1), 20 (2006)
Hanagandi V, Nikolaou M, Comput. Chem. Eng., 22(12), 1913 (1998)
Abdulagatov IM, Bazaev AR, Ramazanova AE, Int. J.Thermophysics., 14, 231 (1993)
Tian TL, Zhao XF, Chen L, Zhu HG, Fu HF, J. Supercrit. Fluids, 30(2), 145 (2004)
Rasulov SM, Abdulagatov IM, J. Chem. Eng. Data, 55(9), 3247 (2010)
Huang H, Sandler SI, Ind. Eng. Chem. Res., 32, 1498 (1993)
Folas GK, Gabrielsen J, Michelsen ML, Stenby EH, Kontogeorgis GM, Ind. Eng. Chem. Res., 44(10), 3823 (2005)
Suresh J, Beckman EJ, Fluid Phase Equilib., 99, 219 (1994)
Fu YH, Sandler SI, Ind. Eng. Chem. Res., 34(5), 1897 (1995)
Gross J, Sadowski G, Ind. Eng. Chem. Res., 41(22), 5510 (2002)
Paragand F, Feyzi F, Behzadi B, Fluid Phase Equilib., 290(1-2), 181 (2010)
Laaksonen A, Kusalik PG, Svishchev IM, J. Phys. Chem. A, 101(33), 5910 (1997)
Abdulagatov IM, Bazaev AR, Bazaev EA, Saidakhmedova MB, Ramazanova AE, Fluid Phase Equilib., 150-151, 537 (1998)
Brunner G, J. Supercrit. Fluids, 47(3), 373 (2009)
Fang Z, Rapid Production of Micro- and Nano-particles using supercritical water, Springer, Heidelberg (2010)
Bazaev AR, Abdulagatov IM, Bazaev EA, Abdurashidova A, J. Chem. Thermodyn., 39(3), 385 (2007)
Munakata T, Kasahara K, Uematsu M, J. Chem. Thermodyn., 34(6), 807 (2002)
Tian TL, Zhao XF, Chen L, Zhu HG, Fu HF, J. Supercrit. Fluids, 30(2), 145 (2004)
Abdulagatov IM, Bazaev EA, Bazev AR, Rabezkii MG, J. Supercrit. Fluids, 19(3), 219 (2001)
Yokoyama H, Uematsu M, J. Chem. Thermodyn., 35(5), 813 (2003)
Abdulagatov IM, Bazaev AR, Gasanov RK, Bazaev EA, Ramazanova AE, J. Supercrit. Fluids, 10(3), 149 (1997)
Bazaev AR, Abdulagatov IM, Magee JW, Bazaev EA, Ramazanova AE, Abdurashidova AA
Oliveira MB, Queimada AJ, Kontogeorgis GM, Coutinho JAP, J. Supercrit. Fluids, 55(3), 876 (2011)
Voutsas EC, Spiliotis N, Kalospiros NS, Tassios D, Ind. Eng. Chem. Res., 34(2), 681 (1995)
Hernandez-Garduza O, Garcia-Sanchez F, Neau E, Rogalski M, Chem. Eng. J., 79(2), 87 (2000)
Folas GK, Modeling of complex mixtures containing hydrogen bonding molecules, Ph.D. Thesis, Technical University of Denmark, Copenhagen (2006)
Li XS, Englezos P, Fluid Phase Equilib., 224(1), 111 (2004)
Sun R, Dubessy J, Geochim. Cosmochim. Acta., 74, 1982 (2010)
Oliveira MB, Ribeiro V, Queimada AJ, Coutinho JAP, Ind. Eng. Chem. Res., 50(4), 2348 (2011)
Muller EA, Gubbins KE, Ind. Eng. Chem. Res., 40(10), 2193 (2001)
Economou IG, Tsonopoulos C, Chem. Eng. Sci., 52(4), 511 (1997)
Kontogeorgis GM, Voutsas EC, Yakoumis IV, Tassios DP, Ind. Eng. Chem. Res., 35(11), 4310 (1996)
Kontogeorgis GM, Michelsen ML, Folas GK, Derawi S, von Solms N, Stenby EH, Ind. Eng. Chem. Res., 45(14), 4855 (2006)
Kontogeorgis GM, Michelsen ML, Folas GK, Derawi S, von Solms N, Stenby EH, Ind. Eng. Chem. Res., 45(14), 4869 (2006)
Voutsas EC, Kontogeorgis GM, Yakoumis IV, Tassios DP, Fluid Phase Equilib., 132(1-2), 61 (1997)
Yakoumis IV, Kontogeorgis GM, Voutsas EC, Tassios DP, Fluid Phase Equilib., 130(1-2), 31 (1997)
Yakoumis IV, Kontogeorgis GM, Voutsas EC, Hendriks EM, Tassios DP, Ind. Eng. Chem. Res., 379, 4175 (1998)
Kontogeorgis GM, Yakoumis IV, Vlamos PM, Comput.Theor. Polym. Sci., 10(6), 501 (2000)
Derawi SO, Zeuthen J, Michelsen ML, Stenby EH, Kontogeorgis GM, Fluid Phase Equilib., 225(1-2), 107 (2004)
Kaarsholm M, Derawi SO, Michelsen ML, Kontogeorgis GM, Ind. Eng. Chem. Res., 44(12), 4406 (2005)
Kontogeorgis GM, Yakoumis IV, Meijer H, Hendriks E, Moorwood T, Fluid Phase Equilib., 158-160, 201 (1999)
Voutsas EC, Yakoumis IV, Tassios DP, Fluid Phase Equilib., 158-160, 151 (1999)
Derawi SO, Kontogeorgis GM, Michelsen ML, Stenby EH, Ind. Eng. Chem. Res., 42(7), 1470 (2003)
Daubert TE, Danner RD, Sibul HM, Stebbins CC, Physical and thermodynamic properties of pure chemicals, in: Data Compilations, Taylor and Francis, Washington, DC, USA (1996)
Peng DY, Robinson DB, Ind. Eng. Chem. Fundam., 15, 59 (1976)
Valderrama JO, Ind. Eng. Chem. Res., 42(8), 1603 (2003)
Gasem KAM, Gao W, Pan Z, Robinson RL, Fluid Phase Equilib., 181(1-2), 113 (2001)
Boukouvalas C, Spiliotis N, Coutsikos P, Tzouvaras N, Tassios D, Fluid Phase Equilib., 92, 75 (1994)
Wong DSH, Sandler SI, AIChE J., 38, 671 (1992)
Vidal J, Chem. Eng. Sci., 33, 787 (1978)
Michelsen ML, Fluid Phase Equilib., 60, 213 (1990)
Orbey H, Sandler SI, Modeling vapor-liquid equilibria, cubic equations of state and their mixing rules, Cambridge University Press, Cambridge (1998)
Voutsas E, Magoulas K, Tassios D, Ind. Eng. Chem. Res., 43(19), 6238 (2004)
Huang SH, Radosz M, Ind. Eng. Chem. Res., 29, 2284 (1990)
Folas GK, Kontogeorgis GM, Michelsen ML, Stenby EH, Ind. Eng. Chem. Res., 45(4), 1516 (2006)
Anderson TF, Prausnitz JM, Ind. Eng. Chem. Process Des.Dev., 17, 552 (1978)
Brelvl SW, Ind. Eng. Chem. Process Des. Dev., 21, 367 (1982)
Banerjee T, Singh MK, Sahoo RK, Khanna A, Fluid Phase Equilib., 234(1-2), 64 (2005)
Singh MK, Banerjee T, Khanna A, Comput. Chem. Eng., 29(8), 1712 (2005)
Valderrama JO, Zavaleta J, J. Supercrit. Fluids, 39(1), 20 (2006)
Hanagandi V, Nikolaou M, Comput. Chem. Eng., 22(12), 1913 (1998)
Abdulagatov IM, Bazaev AR, Ramazanova AE, Int. J.Thermophysics., 14, 231 (1993)
Tian TL, Zhao XF, Chen L, Zhu HG, Fu HF, J. Supercrit. Fluids, 30(2), 145 (2004)
Rasulov SM, Abdulagatov IM, J. Chem. Eng. Data, 55(9), 3247 (2010)
Huang H, Sandler SI, Ind. Eng. Chem. Res., 32, 1498 (1993)
Folas GK, Gabrielsen J, Michelsen ML, Stenby EH, Kontogeorgis GM, Ind. Eng. Chem. Res., 44(10), 3823 (2005)
Suresh J, Beckman EJ, Fluid Phase Equilib., 99, 219 (1994)
Fu YH, Sandler SI, Ind. Eng. Chem. Res., 34(5), 1897 (1995)
Gross J, Sadowski G, Ind. Eng. Chem. Res., 41(22), 5510 (2002)
Paragand F, Feyzi F, Behzadi B, Fluid Phase Equilib., 290(1-2), 181 (2010)
Laaksonen A, Kusalik PG, Svishchev IM, J. Phys. Chem. A, 101(33), 5910 (1997)
