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Received April 29, 2022
Accepted June 29, 2022
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Predictions of thermodynamic properties of pure fluids, refrigerants, and binary mixtures using modified Peng-Robinson equation of state
Department of Chemical and Biomolecular Engineering, Chonnam National University, Yeosu, Jeonnam 59626, Korea 1Department of Physics, Institute of Chemical Technology, Mumbai-400019, India 2Department of Chemical Engineering, Institute of Chemical Technology, Mumbai-400019, India
Korean Journal of Chemical Engineering, December 2022, 39(12), 3452-3463(12), 10.1007/s11814-022-1217-x
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Abstract
The Peng-Robinson (PR) EOS is a very successful two-parameter equation of state to estimate thermodynamic properties of pure compounds as well as mixtures. The PR EOS has been modified and revised several ways to improve estimates, and the most popular modification is for the attractive term through alpha function and temperature dependent covolume parameter in the repulsive term. However, the unphysical, i.e., negative values of temperature dependent co volume parameter at high temperature lead to undesirable results. We have addressed this issue in the present work by incorporating a temperature dependent covolume parameter and yet physically consistent over a large range of temperature. In the present work, the Modified-Peng-Robinson 2 (MPR2) equation of state is presented by modifying the alpha function in attractive term and temperature dependent co-volume parameter in repulsive term of the PR EOS. The accuracy of MPR2 EOS is demonstrated by comparing results with the PR, HKM1, and MPR1 equations of state. The thermodynamic properties, namely saturated vapor pressure and liquid density, enthalpy of vaporization, compressed liquid densities in sub and supercritical region, heat capacities (isobaric and isochoric), and sound velocity of pure compounds, are predicted by MPR2 EOS which agrees very well with the experimental data. We have further studied 24 refrigerant properties like vapor and liquid densities. The work has also been extended to study the phase behavior of 26 binary mixtures using van der Waals single fluid mixing rules.
Keywords
References
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Diedrichs A, Rarey J, Gmehling J, Fluid Phase Equilib., 248, 56 (2006)
Ahlers J, Gmehling J, Fluid Phase Equilib., 191, 177 (2001)
Myint PC, McClellandv MA, Nichols AL, Ind. Eng. Chem. Res., 55, 2252 (2016)
Kaviani S, Feyi F, Khosravi B, Phy. Chem. Liq., 54, 545 (2015)
Kumar A, Okuno R, Chem. Eng. Sci., 127, 293 (2015)
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Zhang H, Gong M, Li H, Zhao Y, Zhong Q, Dong X, Shen J, Wu J, Fluid Phase Equilib., 425, 374 (2016)
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Peng DY, Robinson DB, Ind. Eng. Chem. Fundam., 15, 59 (1976)
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Kahre LC, J. Chem. Eng. Data, 19, 67 (1974)
Blanc CJ, Setler JCB, J. Chem. Eng. Data, 33, 111 (1988)
Lee KJ, Chen WK, Ko JW, Lee LS, Cheng CMJ, J. Taiwan Inst. Chem. Eng., 40, 573 (2009)
Ho QN, Yoo KS, Lee BG, Lim JS, Fluid Phase Equilib., 245, 63 (2006)
Laugier S, Richon D, J. Chem. Eng. Data, 41, 282 (1996)
Kim JH, Kim MS, Fluid Phase Equilib., 238, 13 (2005)
Yucelen B, Kidnay AJ, J. Chem. Eng. Data, 44, 926 (1999)
Somait FA, Kidnay AJ, J. Chem. Eng. Data, 23, 301 (1978)
Gupta BS, Lee MJ, Fluid Phase Equilib., 313, 190 (2012)
Diaz C, Tojo J, J. Chem. Thermodyn., 34, 1975 (2002)
Ghoderao PNP, Duraisami D, Mubarak S, Byun HS, J. Mol. Liq., 358, 119131 (2022)
Prausnitz JM, Tavares FW, AIChE J., 50, 739 (2004)
Soave G, Chem. Eng. Sci., 27, 1197 (1972)
Peng DY, Robinson DB, Ind. Eng. Chem. Fundam., 15, 59 (1976)
Patel NC, Teja AS, Chem. Eng. Sci., 37, 463 (1982)
Ghoderao PNP, Dalvi VH, Narayan M, Chem. Eng. Sci., 190, 173 (2018)
Ghoderao PNP, Dalvi VH, Narayan M, Chin. J. Chem. Eng., 27, 1132 (2019)
Ghoderao PNP, Dalvi VH, Narayan M, Chem. Eng. Sci. X., 3, 100026 (2019)
Kukreja N, Ghoderao PNP, Dalvi VH, Narayan M, Fluid Phase Equilib., 531, 112908 (2021)
Valderrama JO, Alfaro M, Oil. Gas Sci. Technol., 55, 523 (2000)
Peneloux A, Rauzy RE, Freze R, Fluid Phase Equilib., 8, 7 (1982)
Watson P, Casella M, Salerno S, Tassios D, Fluid Phase Equilib., 27, 35 (1986)
Tsai JC, Chen YP, Fluid Phase Equilib., 145, 193 (1998)
Sant’Ana HBD, Ungerer P, Hemptinne JCD, Fluid Phase Equilib., 154, 193 (1999)
Chen X, Li H, Fluid Phase Equilib., 521, 112724 (2020)
Frey K, Modell M, Tester J, Fluid Phase Equilib., 279, 56 (2006)
Chen X, Li H, Fluid Phase Equilib., 528, 112852 (2021)
Haghtalab A, Mahmoodi P, Mazloumi SH, Can. J. Chem. Eng., 89, 1376 (2011)
Fuller GG, Ind. Eng. Chem. Fundam., 15, 254 (1976)
Dashtizadeh A, Pazuki GR, Taghikhani V, Ghotbi C, Fluid Phase Equilib., 242, 19 (2006)
Farrokh-Niae AH, Moddarress H, Mohsen-Nia M, J. Chem. Thermodyn., 40, 84 (2008)
Nia MM, Modarress H, Mansoori GA, Fluid Phase Equilib., 206, 27 (2003)
Hinojosa-Gomez H, Barragan-Aroche JF, Bazua-Rueda ER, Fluid Phase Equilib., 298, 12 (2010)
Lopez-Echeverry JS, Reif-Acherman S, Araujo-Lopez E, Fluid Phase Equilib., 447, 39 (2017)
Zabaloy MS, Vera JH, Ind. Eng. Chem. Res., 37, 1591 (1998)
Ghanbari M, Ahmadi M, Lashanizadegan A, Cryogenics, 84, 13 (2017)
Faradonbeh MR, Abedi J, Harding TG, Can. J. Chem. Eng., 91, 101 (2013)
Valderrama JO, Ind. Eng. Chem. Res., 42, 1603 (2003)
Tarakad RR, Spencer CF, Adler SB, Ind. Eng. Chem. Process Des. Dev., 4, 726 (1979)
Ghosh P, Chem. Eng. Technol., 22, 379 (1999)
Vera GW, Vera JH, AIChE J., 61, 2824 (2015)
Tsuji T, Shigeru M, Hoshina TA, Yoneda K, Funazukuri T, Morad NA, Fluid Phase Equilib., 441, 9 (2017)
Chen M, Xie Y, Wu H, Shi S, Yu J, Appl. Therm. Eng., 110, 47 (2017)
Mehrpooya M, Gharagheizi F, Vatani A, Int. J. Energy Res., 33, 960 (2009)
Mehrpooya M, Hossieni M, Vatani A, Ind. Eng. Chem. Res., 53, 17705 (2014)
Mehrpooya M, Vatani A, Mousavian A, Chem. Eng. Process., 49, 376 (2010)
Brown JS, Int. J. Refrig. -Rev. Int. Froid, 30, 1319 (2007)
Bhawangirkar DR, Adhikari J, Sangwai JS, J. Chem. Thermodyn., 117, 180 (2018)
Anil JN, Bhawangirkar DR, Sangwai JS, Fluid Phase Equilib., 556, 113356 (2022)
Avula VR, Gardas RL, Sangwai JS, J. Chem. Thermodyn., 83, 163 (2015)
Avula VR, Gardas RL, Sangwai JS, J. Nat. Gas Sci. Eng., 33, 509 (2016)
Avula VR, Gardas RL, Sangwai JS, Fluid Phase Equilib., 382, 187 (2014)
Avula VR, Gupta P, Gardas RL, Sangwai JS, Asia-Pac. J. Chem. Eng., 12, 709 (2017)
Joshi A, Mekala P, Sangwai JS, J. Nat. Gas Chem., 21, 459 (2012)
Ghoderao PNP, Dhamodharan D, Byun HS, J. Chem. Thermodyn., 168, 106746 (2022)
Ghoderao PNP, Dhamodharan D, Byun HS, New J. Chem., 46, 2300 (2022)
Dhamodharan D, Ghoderao PNP, Park CW, Byun HS, New J. Chem., 46, 7271 (2022)
Duraisami D, Cheol PW, Ghoderao PNP, Byun HS, J. Ind. Eng. Chem., 367, 110 (2022)
Byun HS, J. Ind. Eng. Chem., 99, 158 (2021)
Park CW, Kim CH, Byun HS, Korean J. Chem. Eng., 38, 610 (2021)
Byun HS, J. Ind. Eng. Chem., 90, 76 (2020)
Duraisami D, Ghoderao PNP, Byun HS, J. Mol. Liq., 357, 119112 (2022)
Choa SH, Lee BS, Byun HS, J. CO2 Util., 25, 39 (2018)
Lee BS, Byun HS, J. Supercrit. Fluids, 135, 211 (2018)
Diky V, Chirico RD, Munzy CD, Kazakov AF, Kroenlein K, Magee JW, Abdulagatov I, Frenkel M, J. Chem. Inf. Model., 53, 3418 (2013)
Sandler SI, Models for thermodynamic and phase equilibria calculations, Marcel Dekker Inc., New Jersey (1994).
Kumar A, Okuno R, Fluid Phase Equilib., 335, 46 (2021)
Kumar A, Okuno R, Ind. Eng. Chem. Res., 53, 440 (2014)
Li H, Phase behaviour and mass transfer of solvent(s)-CO2-heavy oil systems under reservoir conditions, Ph.D. thesis, University of Regina (2013).
Mahmoodi P, Sedigh M, J. Supercrit. Fluids, 120, 191 (2017)
Privat R, Visconte M, Khames AZ, Jaubert JN, Chem. Eng. Sci., 126, 584 (2015)
Hekayati J, Roosta A, Javanmardi J, Korean J. Chem. Eng., 33, 3231 (2016)
Forero LA, Velasquez JA, Fluid Phase Equilib., 418, 74 (2016)
Singh AK, Delfs JO, Bottcher N, Taron J, Wang W, Gorke UJ, Kolditz O, Energy Procedia, 37, 3901 (2013)
Diedrichs A, Rarey J, Gmehling J, Fluid Phase Equilib., 248, 56 (2006)
Ahlers J, Gmehling J, Fluid Phase Equilib., 191, 177 (2001)
Myint PC, McClellandv MA, Nichols AL, Ind. Eng. Chem. Res., 55, 2252 (2016)
Kaviani S, Feyi F, Khosravi B, Phy. Chem. Liq., 54, 545 (2015)
Kumar A, Okuno R, Chem. Eng. Sci., 127, 293 (2015)
Fateen SEK, Khalil MM, Elnabawy AO, J. Adv. Res., 4, 137 (2013)
Venkatramani AV, Okuno R, J. Nat. Gas. Sci. Eng., 26, 1091 (2015)
Li X, Yang D, Zhang X, Zhang G, Gao J, Fluid Phase Equilib., 417, 77 (2016)
Abudour AM, Mohammad SA, Gasem KAM, Fluid Phase Equilib., 319, 77 (2012)
Zhang H, Gong M, Li H, Zhao Y, Zhong Q, Dong X, Shen J, Wu J, Fluid Phase Equilib., 425, 374 (2016)
Martynov S, Brown S, Mahgereftech H, Greenh. Gases Sci. Technol., 3, 136 (2013)
Erdogmus M, Adewumi MA, A modified equation of state for gas condensate systems, Society of petroleum engineers, Morgantoen, West Virginia (2000).
Haghtalab A, Kamali MJ, Mazloumi SH, Mahmoodi P, Fluid Phase Equilib., 293, 209 (2010)
Green DW, Perry RH, Perry’s chemical engineer’s handbook, 8th ed., McGraw-Hill, New-York (2007).
Valderrama JO, J. Supercrit. Fluids, 55, 415 (2010)
Loeb LB, The kinetic theory of gases, 3rd ed., Dover publications, New York (2004).
Linstrom PJ, National institute of standard and technolgy, Standard Reference Database. (2005).
Peng DY, Robinson DB, Ind. Eng. Chem. Fundam., 15, 59 (1976)
Wichterle I, Kobayashi R, J. Chem. Eng. Data, 17, 9 (1972)
Kahre LC, J. Chem. Eng. Data, 19, 67 (1974)
Blanc CJ, Setler JCB, J. Chem. Eng. Data, 33, 111 (1988)
Lee KJ, Chen WK, Ko JW, Lee LS, Cheng CMJ, J. Taiwan Inst. Chem. Eng., 40, 573 (2009)
Ho QN, Yoo KS, Lee BG, Lim JS, Fluid Phase Equilib., 245, 63 (2006)
Laugier S, Richon D, J. Chem. Eng. Data, 41, 282 (1996)
Kim JH, Kim MS, Fluid Phase Equilib., 238, 13 (2005)
Yucelen B, Kidnay AJ, J. Chem. Eng. Data, 44, 926 (1999)
Somait FA, Kidnay AJ, J. Chem. Eng. Data, 23, 301 (1978)
Gupta BS, Lee MJ, Fluid Phase Equilib., 313, 190 (2012)
Diaz C, Tojo J, J. Chem. Thermodyn., 34, 1975 (2002)
Ghoderao PNP, Duraisami D, Mubarak S, Byun HS, J. Mol. Liq., 358, 119131 (2022)
