Correlation of Critical Loci for Water-Hydrocarbon Binary Systems by EOS Based on the  Multi-Fluid Nonrandom Lattice Theory

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Correlation of Critical Loci for Water-Hydrocarbon Binary Systems by EOS Based on the
Multi-Fluid Nonrandom Lattice Theory

HunYong SHIN^a; Hwayong KIM^b; Ki-Pung YOO^c; ChulSoo LEE^d; Yoshio IWAI^e; Yasuhiko ARAI^e

^a Department of Chemical Engineering, Seoul National University of Technology, Seoul, 139-
743, Korea
^b School of Chemical Engineering, S eoul National University, Seoul, 151-742, Korea
^c Department of Chemical Engineering, Sogang University, Seoul, 121-742, Koread
^d Department of Chemical Engineering, Korea University, Seoul, 136-701, Koreae
^e Department of Chemical Engineering, Kyushu University, Fukuoka, 812-8581, Japan

Received:1900-01-01 Revised:1900-01-01 Online:2002-12-28 Published:2002-12-28
Contact: HunYong SHIN

EOS状态下基于多相流有规栅格理论的水-碳氢化合物两相体系的临界轨迹关系

HunYong SHIN^a; Hwayong KIM^b; Ki-Pung YOO^c; ChulSoo LEE^d; Yoshio IWAI^e; Yasuhiko ARAI^e

^a Department of Chemical Engineering, Seoul National University of Technology, Seoul, 139-
743, Korea
^b School of Chemical Engineering, S eoul National University, Seoul, 151-742, Korea
^c Department of Chemical Engineering, Sogang University, Seoul, 121-742, Koread
^d Department of Chemical Engineering, Korea University, Seoul, 136-701, Koreae
^e Department of Chemical Engineering, Kyushu University, Fukuoka, 812-8581, Japan

通讯作者: HunYong SHIN

Abstract

Abstract: Quantitative representation of complicated behavior of fluid mixtures in the critical
region by any of equation-of-state theories re-mains as a difficult thermodynamic topics to
date. In the present work, a computational efforts were made for representing various types
ofcritical loci of binary water with hydrocarbon systems showing Type Ⅱ and Type Ⅲ phase
behavior by an elementary equation of state [calledmulti-fluid nonrandom lattice fluid EOS
(MF-NLF EOS)] based on the lattice statistical mechanical theory. The model EOS requires
two mo-lecular parameters which representing molecular size and interaction energy for a
pure component end single adjustable interaction energyparameter for binary mixtures.
Critical temperature and pressure data were used to obtain molecular size parameter and
vapor pressure datawere used to obtain interaction energy parameter. The MF-NLF EOS model
adapted in the present study correlated quantitatively well the criti-cal loci of various
binary water with hydrocarbon systems.

Key words: critical locus, water, hydrocarbon, lattice theory, multi-fluid theory

摘要： Quantitative representation of complicated behavior of fluid mixtures in the critical
region by any of equation-of-state theories re-mains as a difficult thermodynamic topics to
date. In the present work, a computational efforts were made for representing various types
ofcritical loci of binary water with hydrocarbon systems showing Type Ⅱ and Type Ⅲ phase
behavior by an elementary equation of state [calledmulti-fluid nonrandom lattice fluid EOS
(MF-NLF EOS)] based on the lattice statistical mechanical theory. The model EOS requires
two mo-lecular parameters which representing molecular size and interaction energy for a
pure component end single adjustable interaction energyparameter for binary mixtures.
Critical temperature and pressure data were used to obtain molecular size parameter and
vapor pressure datawere used to obtain interaction energy parameter. The MF-NLF EOS model
adapted in the present study correlated quantitatively well the criti-cal loci of various
binary water with hydrocarbon systems.

关键词: critical locus;water;hydrocarbon;lattice theory;multi-fluid theory

HunYong SHIN, Hwayong KIM, Ki-Pung YOO, ChulSoo LEE, Yoshio IWAI, Yasuhiko ARAI. Correlation of Critical Loci for Water-Hydrocarbon Binary Systems by EOS Based on the
Multi-Fluid Nonrandom Lattice Theory[J]. .

HunYong SHIN, Hwayong KIM, Ki-Pung YOO, ChulSoo LEE, Yoshio IWAI, Yasuhiko ARAI. EOS状态下基于多相流有规栅格理论的水-碳氢化合物两相体系的临界轨迹关系[J]. CIESC Journal.

References

[1] Economou, I.G., Heidman, J.L., Tsonopoulos, C., Wilson, G.M., "Mutual solubilities of
hydrocarbons and water. Ⅲ. 1-Hexane, 1-octane, C10-C12 hydrocarbons", A1ChEJ., 43 (2), 535
(1997).
[2] van Konynenburg, P.H., Scott, R.L., "Critical lines and phase equilibria in binary van
der Waals mixtures", Philos. Trans. R. Soc. London, Ser.A, 298, 495 (1980).
[3] Christansen, S.P., Paulaitis, M.E., "Phase equilibria for tetrahn-water and 1-
methylnaphthalene-water mixtures at elevated temperatures and pressures", FluidPhase
Equilibria, 71, 63 (1992).
[4] Brunner, E., "Fluid mixtures at high pressure Ⅸ. Phase separation and critical
phenomina in 23 (n-alkane+water) mixtures", J. Chem. Ther-modynamics, 22, 335 (1990).
[5] Rebert, C.J., Kay, W.B., "The phase behavior and solubility relations of the benzene-
water system", AIChEJ. 5 (3), 285 (1959).
[6] Alwani, Z., Schneider, G.M., "Phasengleichgewichte, kritische erscheinungen und PVT-
daten in binaren mischungen von wasser mitaromatischen kohlenwasserstoffen bis 420℃ und
2200 bar", Ber. Bunsenges Phys. Chem., 73 (3), 294 (1969).
[7] Roof, J.G., "Three-phase critical point in hydrocarbon-water systems",J. Chem. Eng.
Data, 15 (2), 301 (1970).
[8] Castier, M., Sandler, S.I., "Critical points with the Wong-Sandier mixing rule-Ⅱl
.Calculations with a modified Peng-Robinson equation of state", Chem. Eng. Sci., 52 (20),
3579 (1997).
[9] Yoo, K.-P., Shin, H.Y., Lee, C.S., "A new two-fluid quasilattice equation of state for
calculating physical properties and supercritical phase equilibrium", J. Supercritical
Fluids, 13, 55 (1998).
[10] You, S.S., Yoo, K-P., Lee, C.S., "An approximate nonrandom lattice theory of fluids.
General derivation and application to pure fluids",Fluid Phase Equilibria, 93, 193 (1994).
[11] You, S.S., Yoo, K-P., Lee, C.S., "An approximate nonrandom lattice theory of fluids.
Mixtures", Fluid Phase Equilibria, 93, 215 (1994).
[12] Lee, C.S., Yoo, K-P., "Developments in lattice-hole based equations of state and their
applications to complex fluids", Fluid Phase Equilibria,144, 13 (1998).
[13] Yoo, K-P., Shin, H.Y., Lee, C.S., "Approximate nonrandom two-fluid lattice theory.
General derivation and description of pure fluids", Bull.Korean Chem. Soc., 18 (9), 965
(1997).
[14] Yoo, K-P., Shin, H.Y., Lee, C.S., "Approximate nonrandom two-fluid lattice theory.
Thermodynamic properties of real mixtures", Bull.Korean Chem. Soc., 18 (8), 841 (1997).
[15] Wilson, G.M., "Vapor-liquid equilibrium. Ⅺ. A new expression for the excess free
energy of mixing", J. Am. Chem. Soc., 86, 127 (1964).
[16] Abrams, D., Prausnitz, J.M,, "Statistical thermodynamics of liquid the mixtures: A new
expression for the excess Gibbs energy of partly or completely miscible system", AIChE J.,
21, 116 (1975).
[17] Shin, H.Y., Haruki, M., Yoo, K.-P., Iwai, Y., Arai, Y., "Phase behavior of water +
hydrocarbon binary systems by using multi-fluid nonrandom lattice hydrogen bonding theory",
Fluid Phase Equilibria,189,49(2001).
[18] Reid, R.C., Prausnitz, J.M., Poling, B.E., The Properties of Gases & Liquids, McGraw-
Hill Book Company, New York (1987).