Full-text resources of PSJD and other databases are now available in the new Library of Science.
Visit https://bibliotekanauki.pl


Preferences help
enabled [disable] Abstract
Number of results
2011 | 32 | 2 | 101-115

Article title

Universal liquid mixture model for vapor-liquid and liquid-liquid equilibria in hexane-butanol-water system over the temperature range 10 - 100 °C


Title variants

Languages of publication



This is an extended research of the paper (Islam et al., 2011) conducted to obtain a universal set of interaction parameters of the model NRTL over the temperature range 10 - 100 °C for hexane-butanol-water system; meaning for binary pairs hexane-butanol, butanol-water and hexane-water; and for ternary system hexane-butanol-water. Thorough investigations of data selections for all binary pairs (Vapor-Liquid Equilibrium (VLE), Liquid-Liquid Equilibrium (LLE)), infinite dilution activity coefficient (γ∞), infinite dilution distribution coefficient (Dsw), excess enthalpy (HE), and for ternary system (LLE of hexane-butanol-water) were carried out. Finally quadratic temperature dependent interaction parameters were estimated regressing all the mentioned data and in each case calculated results were compared with literature values. The comparisons showed an overall percentage of error within 15% for the mentioned phase equilibrium calculations.









Physical description


1 - 6 - 2011
11 - 7 - 2011


  • Department of Chemical Engineering, North Carolina A&T State University, 1601 East Market Street, Greensboro, North Carolina 27411, USA
  • Department of Chemical Engineering, North Carolina A&T State University, 1601 East Market Street, Greensboro, North Carolina 27411, USA


  • Abrams D.S., Prausnitz J.M., 1975. Statistical thermodynamics of liquid mixtures: A new expression for the excess Gibbs energy of partly or completely miscible systems. AIChE J., 21, 116-128. DOI: 10.1002/aic.690210115.[Crossref]
  • Ambrose D., Ghiasse N.B., 1987. Vapor pressure and critical temperatures of some alkanoic acids: C1 to C10. J. Chem. Thermodyn., 19, 505-519. DOI: 10.1016/0021-9614(87)90147-9.[Crossref]
  • ASME Steam Tables. American Society of Mechanical Engineers, New York, 1993.
  • Anderson, T.F., Prausnitz J.M., 1978. Appication of the UNIQUAC equation to calculation of multicomponent phase equilibria. 2. Liquid-liquid equilibria. Ind. Eng. Chem. Process Des. Dev., 17, 561-567. DOI: 10.1021/i260068a029.[Crossref]
  • Barker J.A., 1953. Determination of activity coefficients from total pressure measurements. Aust. J. Chem., 6, 207-210.[Crossref]
  • Butler J.A.V., Thomson D.W., Maclennan W.H., 1933. The free energy of the normal alcohols in aqueous solution. Part I. The partial vapor pressures of aqueous solutions of methyl, n-propyl, and n-butyl alcohols. Part II. The solubilities of some normal aliphatic alcohols in water. Part III. The theory of binary solutions, and its application to aqueous-alcoholic solutions. J. Chem. Soc. (London), 674-686. DOI: 10.1039/JR9330000674.[Crossref]
  • Chapoy A., Haghighi H., Tohidi B., 2008. Development of a Henry's constant correlation and solubility measurements of n-pentane, I pentane, Cyclopentane, n hexane, and toluene in water. J. Chem. Thermodyn., 40, 1030-1037. DOI: 10.1016/j.jct.2008.01.019.[Crossref]
  • Christensen C., Gmehling J., Rasmussen P., Weidlich U., 1984. Heats of mixing data collection, binary system. DECHEMA, Chemistry Data series., 3 (1).
  • Daubert, T.E., Danner R.P., 1992. Physical and thermodynamic properties of pure chemicals. Data compilation, Part 2 & 3, Taylor & Francis.
  • Deal C. H., Derr E. L., 1964. Selectivity and solvency in aromatics recovery. Ind. Eng. Chem. Process Des. Dev., 3, 394-399. DOI: 10.1021/i260012a022.[Crossref]
  • Demirel Y., 1993. Correlation of heats of mixing of liquid mixtures by the NRTL model. Thermochim. Acta, 219, 83-96. DOI: 10.1016/0040-6031(93)80485-S.[Crossref]
  • Dobrjakov Y.G., Balashova I.M., Maurer G., 2001. The limiting activity coefficient of phenol in water and some organic solvents from differential ebuliometry. Fluid Phase Equilibria, 181, 59-70. DOI: 10.1016/S0378-3812(01)00357-0.[Crossref]
  • Fischer K., Gmehling J., 1994. P-x and γ∞ data for the different binary butanol-water systems at 500 C. J. Chem. Eng. Data., 39, 309-315. DOI: 10.1021/je00014a026.[Crossref]
  • Garriza R., Mertinez S., Perez P., Gracia M., 2002. vapor pressure at several temperatures between 278.15 and 323.15 K and excess functions at T=298.15 for 1 bromobutane with 1 butanol or 2 methyl-2-propanol. J. Chem. Eng. Data., 47, 322-328. DOI: 10.1021/je0101754.
  • Gmehling J., Menke J., 1994. Activity coefficients at infinite dilution. DECHEMA, Chemistry Data Series, IX, Part 4.
  • Gmehling J., Menke J., 2007. Activity coefficients at infinite dilution, C1-C16. DECHEMA, Chemistry Data Series, IX, Part 5.
  • Gmehling G., Onken U., 1977. Vapor-liquid equilibrium data collection. DECHEMA, Chemistry Data Series, I, Part 1.
  • Gmehling G., Onken U., Arlt W., 1981. Vapor-liquid equilibrium data collection. DECHEMA Chemistry Data Series, I, Part 1a.
  • Gmehling G., Onken U., Rarey-Nies J.R., 1987. Vapor-liquid equilibrium data collection. DECHEMA, Chemistry Data Series, I, Part 1b.
  • Gmehling G., Onken U., 2003. Vapor-liquid equilibrium data collection. DECHEMA, Chemistry Data Series, I, Part 1c.
  • Goodwin S.R., Newsham D.M., 1971. A flow calorimeter for the determination of enthalpies of mixing of liquids: enthalpies of mixing of water+n-propanol and water+n butanol at 300 C. J. Chem. Thermodyn., 3, 325-334. DOI: 10.1016/S0021-9614(71)80049-6.[Crossref]
  • Gracia, M., Sanchez, F., Perez P., Valero J., Losa C.G., 1992. Vapor pressure of (butan-1 ol+hexane) at temperatures between 283.1 and 323.12 K. J. Chem. Thermodyn., 24, 463-471. DOI: 10.1016/S0021-9614(05)80118-1.[Crossref]
  • Hansch C., Leo A., 1979. Substituent constants for correlation analysis in chemistry and biology. Wiley - Interscience, New York.
  • Harvey A. H., Lemon E.W., 2004. Correlation for the second virial coefficient of water. J. Phys. Chem. Ref. Data, 33, 369-376. DOI: 10.1063/1.1587731.[Crossref]
  • Hashemi Sh., Ghotbi, C., Taghikhani, V., Behzadi, B., 2004. Application of quasi-chemical models to liquid-liquid euilibrium calculations for ternary systems containing water, propionic acid and organic solvents. Fluid Phase Equilib., 226, 251-259. DOI: 10.1016/j.fluid.2004.07.007.[Crossref]
  • Hill A.E., Malisoff W. M., 1926. The mutual solubility of liquids. III. The mutual solubility of phenol and water. IV. The mutual solubility of normal butyl alcohol and water. J. Am. Chem. Soc., 48, 918-927. DOI: 10.1021/ja01415a011.[Crossref]
  • Islam W., Kabadi V., 2009. Analysis of partition coefficients and ternary liquid-liquid equilibrium data for highly non-ideal systems. Proceedings of the 2007 National Conference on Environmental Science and Technology. Greensboro, NC, USA, part 7, 311-317. DOI: 10.1007/978-0-387-8848[Crossref]
  • Islam A., Javvadi A., Kabadi V., 2011. Universal liquid mixture models for vapor-liquid and liquid-liquid equilibria in hexane-butanol-water system. Ind. Eng. Chem. Res., 50, 1034-1045. DOI: 10.1021/ie902028y.[Crossref]
  • Kinoshita K., Ishikawa H., Shinoda K., 1958. Solubility of alcohols in water determined by the surface tension measurements. Bull. Chem. Soc. Jpn., 31, 1081-1082.[Crossref]
  • Leinonen, P.J., Mackay. D., 1973. The multicomponent solubility of hydrocarbons in water. Can. J. Chem. Eng., 51, 230-233. DOI: 10.1002/cjce.5450510213.[Crossref]
  • Loblein G.M., Prausnitz J.M., 1982. Infinite-dilution activity coefficients from differential ebulliometry. Ind. Eng. Chem. Fund., 21, 109-113. DOI: 10.1021/i100006a002.[Crossref]
  • Macauliffe C., 1963. Solubility in water of C1-C9 hyderocarbon. Nature (London)., 200, 1092-1093. DOI: 10.1038/2001092a0.[Crossref]
  • Mackay, D., Shiu, W.Y., 1981. A critical review of Henry's law constants for chemicals and environmental interest. J. Phys. Chem. Ref. Data, 10, 1175-1199. DOI: 10.1063/1.555654.[Crossref]
  • Marsh K.N., 1977. A general method for calculating the excess Gibbs free energy from isothermal vapor-liquid equilibria. J. Chem. Thermodyn., 9, 719-724. DOI: 10.1016/0021-9614(77)90014-3.[Crossref]
  • Mato F.A., Mato R.B., Mato F., 1989. A simple expression for the nonrandomness parameter αij in the NRTL equation for completely miscible systems. Ind. Eng. Chem. Res., 28, 1441-1446. DOI: 10.1021/ie00093a026.[Crossref]
  • Murthy A.K.S., Zudkevitch D., 1979. Effect of heat of mixing and vapor-liquid equilibrium on design, performance and economics of distillation. Inst. Chem. Eng. Symp Ser., 56, 51-78.
  • Nagata I., Yamada T., 1972. Correlation and prediction of heats of mixing of liquid mixtures. Ind. Eng. Chem. Process Des. Develop., 11, 574-578. DOI: 10.1021/i260044a021.[Crossref]
  • Nagata I., Yamada T., 1973. Prediction of excess heat capacities of alcohol-hydrocarbon mixtures. J. Chem. Eng. Data., 18, 87-90. DOI: 10.1021/je60056a026.[Crossref]
  • Nagata I., Meyer, T., Gmehling J., 1991. Correlation of binary liquid-liquid equilibrium data over a wide temperature range using UNIQUAC and extended UNIQUAC models., Fluid Phase Equilib., 65, 19-39. DOI: 10.1016/0378-3812(91)87015-2.[Crossref]
  • Nguyen T.H., Ratcliff G.A., 1975. Heats of mixing of n-alcohol-n-alkane systems at 15 and 55 C. J. Chem. Eng. Data, 20, 252-255. DOI: 10.1021/je60066a003.[Crossref]
  • Polak J., Lu B.C.Y, 1973. Mutual solubilities of hydrocarbons and water at 0 and 25 C. Can. J. Chem., 51, 4018-4023. DOI: 10.1139/v73-599.[Crossref]
  • Reid R.C., Prausnitz, J.M., Polling B.E., 1987. The properties of gases and liquids. McGraw Hill, New York, 4th ed.
  • Renon H., Prausnitz J.M., 1968. Local compositions in thermodynamic excess functions for liquid mixtures. AIChE J., 14, 135-144. DOI: 10.1002/aic.690140124.[Crossref]
  • Roddy J. W., Coleman C. F., 1968. Solubility of water in hydrocarbons as a function of water activity. Talanta, 15, 1281-1286. DOI: 10.1016/0039-9140(68)80050-5.[PubMed][Crossref]
  • Rodriguez V., Pardo J., Lopez M.C., Royo, F.M., Urieta, J.S., 1993. Vapor pressures of binary mixtures of hexane+1 butanol,+2 butanol,+2 methyl 1 propanol, or+ 2 methyl 2 propanol at 298.15 K., J. Chem. Eng. Data., 38, 350-352. DOI: 10.1021/je00011a003.[Crossref]
  • Skjold-Jørgensen S., Rasmussen P., Fredenslund A.A., 1980. On the temperature dependence of the UNIQUAC/UNIFAC models. Chem. Eng. Sci., 35, 2389-2403. DOI: 10.1016/0009-2509(80)85052-4.[Crossref]
  • Sorensen J.M., Arlt W., 1979. Liquid-liquid equilibrium data collection. DECHEMA, Chemistry Data Series, V, Part 1.
  • Sorensen J.M. Arlt W., 1980. Liquid-liquid equilibrium data collection. DECHEMA, Chemistry Data Series, V, Part 2.
  • Sugi H., Katayama T., 1977. Liquid-liquid equilibrium data for three ternary systems of aqueous alcohol solutions and applicability of the analytical solutions of groups. J. Chem. Eng. Jpn., 10, 400-402.[Crossref]
  • Thomas E.R., Newman B.A., Nicolaides G. L., Eckert C.A., 1982. Limiting activity coefficients from differential ebulliometry. J. Chem. Eng. Data, 27, 233-240. DOI: 10.1021/je00029a002.[Crossref]
  • Tochigi K., Kojima K., 1976. The determination of group wilson parameters to activity coefficients by ebulliometer. J. Chem. Eng. Jpn., 9, 273-276.
  • Tsonopoulos C., 1974. An empirical correlation of second virial coefficients. AIChE J., 20, 263-272. DOI: 10.1002/aic.690200209.[Crossref]
  • Tsonopoulos C., Wilson G.M., 1983. High temperature mutual solubilities of hydrocarbons and water. AIChE J., 29, 990-999. DOI: 10.1002/aic.690290618.[Crossref]
  • Vrbka P., Fenclova D., Lastovka V., Dohnal V., 2005. Measuremnt of inifinite dilution activity coefficients of 1-alkanols (C1-C5) in water as a function of temperature (273-373 K). Fluid Phase Equilib., 237, 123-129. DOI: 10.1016/j.fluid.2005.08.018.[Crossref]
  • Wang W., Vera J. H., 1995. Liquid-liquid equilibrium calculations with excess Gibbs energy models based on the renormalization of Guggenheim's canonical partition function. Fluid Phase Equilib., 104, 207-228. DOI: 10.1016/0378-3812(94)02650-P.[Crossref]
  • Yaws C.L., Hopper J.R., Sheth S.D., Hen M., Pike R.W., 1997. Solubility and Henry's law constant for alcohols in water. Waste Management, 17, 541-547. DOI: 10.1016/S0956-053X(97)10057-5.[Crossref]

Document Type

Publication order reference


YADDA identifier

JavaScript is turned off in your web browser. Turn it on to take full advantage of this site, then refresh the page.