ACT – Activity Coefficients at Infinite Dilution

Activity coefficients at infinite dilution (ACT) are available for a very large number of binary mixtures and are of great importance if high purities need to be achieved as the real behavior of liquid mixtures can usually not be extrapolated from VLE or HPV data with sufficient reliability. In addition, these values allow to judge the effect of extractive solvents in extractive distillation and help to decide whether to expect azeotropic behavior or limited miscibility. In addition, this information is vital for the correct description of the behavior of impurities and by-products, which are mostly present in low concentration. As water is the most common solvent in this data bank, ACT is also of great value to estimate the concentrations of chemicals in waste streams. The ACT data bank is required by the process synthesis software for the selection of entrainers for extractive distillation using DDB.

The picture on the right shows the temperature dependence of the limiting activity coefficients in the mixture acetone - water together with curves calculated from the NRTL model with binary interaction parameters regressed simultaneously to VLE, hE and limiting activity coefficient data. If these data are not included in the parameter regression, in most cases a very unreliable representation of the phase equilibrium behavior in the top and bottom of the column is observed leading to a large error in the required number of stages and reflux ratio.

A full list of systems is available in our DDB Online Search system. The page might take some seconds to load because of its size.

 

Data Tables, Monographies

2008    DECHEMA Chemistry Data Series, Activity Coefficients at Infinite Dilution. Part 6: C 17 - C 78 with D 2 O and H 2 O    Gmehling J., Tiegs D., Medina A., Soares M., Bastos J., Alessi P., Kikic I., Schiller M., Menke J.    Vol., 9.6, 6, 1-325 (2008)
2007    DECHEMA Chemistry Data Series, Activity Coefficients at Infinite Dilution. Part 5: C 1 - C 16    Gmehling J., Tiegs D., Medina A., Soares M., Bastos J., Alessi P., Kikic I., Schiller M., Menke J.    Vol., 9.5, 6, 1-636 (2007)
1994    DECHEMA Chemistry Data Series, Activity Coefficients at Infinite Dilution. Part 3, 4: Supplement C 1 - C 9 , C 10 - C 36 with SO 2 , H 2 O    Gmehling J., Tiegs D., Medina A., Soares M., Bastos J., Alessi P., Kikic I., Schiller M., Menke J.    Vol., 9.3+9.4, 6, 1-505 (1994)
1986    DECHEMA Chemistry Data Series, Activity Coefficients at Infinite Dilution. Part 1, 2: C 1 - C 9 , C 10 - C 36    Gmehling J., Tiegs D., Medina A., Soares M., Bastos J., Alessi P., Kikic I., Schiller M., Menke J.    Vol., 9.1+9.2, 6, 1-955 (1986)

Selected Scientific Papers

1999    Bestimmung von Aktivitaetskoeffizienten bei unendlicher Verduennung mit Hilfe der Dilutor-Technik    Gruber D., Krummen M., Gmehling J.    Journal    Chem.Ing.Tech., 71, 5, 503 508 (1999)
1987    Measurement of gamma infinite using GLC. 2. Results for the Stationary Phases N-Formylmorpholine and N-Methylpyrrolidone    Weidlich U., Roehm H.-J., Gmehling J.    Journal    J.Chem.Eng.Data, 32, 4, 450 453 (1987)
1987    Measurement of gamma infinite using Gas-Liquid Chromatography. 1. Results for the Stationary Phases n-Octacosane, 1-Docosanol, 10-Nonadecanone, and 1-Eicosene    Weidlich U., Gmehling J.    Journal    J.Chem.Eng.Data, 32, 2, 138 142 (1987)
1986    Extension of Unifac by Headspace Gas Chromatography. 2.    Weidlich U., Berg J., Gmehling J.    Journal    J.Chem.Eng.Data, 31, 3, 313 317 (1986)
1985    Extension of UNIFAC by Headspace Gas Chromatography    Weidlich U., Gmehling J.    Journal    J.Chem.Eng.Data, 30, 1, 95 101 (1985)

Selected Scientific Papers (Experimental Data)

2009    Measurement and Prediction of Activity Coefficients at Infinite Dilution (gamma infinite), Vapor-Liquid Equilibria (VLE) and Excess Enthalpies (hE) of Binary Systems with 1,1-Dialkyl-Pyrrolidinium Bis(Trifluoromethylsulfonyl)imide using Modified UNIFAC (Dortmund)    Nebig S., Liebert V., Gmehling J.    Journal    Fluid Phase Equilib., 277, 1, 61 67 (2009)
2008    Vapour-liquid equilibria, azeotropic data, excess enthalpies, activity coefficients at infinite dilution and solid-liquid equilibria for binary alcohol-ketone systems    Abbas R., Gmehling J.    Journal    Fluid Phase Equilib., 267, 2, 119 126 (2008)
2005    Activity Coefficient at Infinite Dilution, Azeotropic Data, Excess Enthalpies and Solid-Liquid-Equilibria for Binary Systems of Alkanes and Aromatics with Esters    Collinet E., Gmehling J.    Journal    Fluid Phase Equilib., 230, 1-2, 131-142 (2005)
2005    Isothermal Vapor-Liquid Equilibrium, Excess Enthalpy Data, and Activity Coefficients at Infinite Dilution for the Binary System Water + Methyl Lactate    Sanz M.T., Gmehling J.    Journal    J.Chem.Eng.Data, 50, 1, 85 88 (2005)
2004    Activity Coefficients at Infinite Dilution of Various Solutes in the Ionic Liquids [MMIM]+[CH3SO4]-, [MMIM]+[CH3OC2H4SO4]-, [MMIM]+[(CH3)2PO4]-, [C5H5NC2H5]+[(CF3SO2)2N]- and [C5H5NH]+[C2H5OC2H4OSO3]-    Kato R., Gmehling J.    Journal    Fluid Phase Equilib., 226, 6, 37 44 (2004)
2004    Measurement of Activity Coefficients at Infinite Dilution of Benzene, Toluene, Ethanol, Esters, Ketones, and Ethers at Various Temperatures in Water Using the Dilutor Technique    Atik Z., Gruber D., Krummen M., Gmehling J.    Journal    J.Chem.Eng.Data, 49, 5, 1429 1432 (2004)
2004    Influence of Water on the Vapor-Liquid Equilibria, Activity Coefficients at Infinite Dilution and Enthalpies of Mixing for Mixtures of n-Methyl-2-Pyrrolidone with C5 or C6 Hydrocarbons    Fischer K., Gmehling J.    Journal    Fluid Phase Equilib., 218, 1, 69 76 (2004)
2004    Measurement of Activity Coefficients at Infinite Dilution in n-Methyl-2-Pyrrolidone and n-Formylmorpholine and their Mixtures with Water Using the Dilutor Technique    Krummen M., Gmehling J.    Journal    Fluid Phase Equilib., 215, 2, 283 294 (2004)
2002    Measurement of Activity Coefficients at Infinite Dilution Using Gas-Liquid Chromatography. 13. Results for Various Solutes with the Stationary Phases 1-Ethylpyrrolidin-2-one and 1,5-Dimethylpyrrolidin-2-one    Krummen M., Letcher T., Gmehling J.    Journal    J.Chem.Eng.Data, 47, 4, 906 910 (2002)
2000    Measurement of Activity Coefficients at Infinite Dilution Using Gas-Liquid Chormatography. 12. Results for Various Solutes with the Stationary Phases N-Ethylacetamied, N,N-Diethylacetamide, Diethylphthalate, and Glutaronitrile    Krummen M., Gruber D., Gmehling J.    Journal    J.Chem.Eng.Data, 45, 5, 771 775 (2000)
2000    Measurement of Activity Coefficients at Infinite Dilution in Solvent Mixtures Using the Dilutor Technique    Krummen M., Gruber D., Gmehling J.    Journal    Ind.Eng.Chem.Res., 39, 6, 2114 2123 (2000)
2000    Measurement of Activity Coefficients at Infinite Dilution Using Gas-Liquid Chromatography. 11. Results for Various Solutes with the Stationary Phases e-Caprolacetone and Ethyl Benzoate    Topphoff M., Gruber D., Gmehling J.    Journal    J.Chem.Eng.Data, 45, 3, 484 486 (2000)
1999    Isothermal P, x Data and Excess Enthalpies for Two Binary Systems    Strothmann B., Noll O., Fischer K., Gmehling J.    Journal    J.Chem.Eng.Data, 44, 3, 379 382 (1999)
1999    Various Thermodynamic Properties for Binary Systems with Tertiary Ethers    Heine A., Fischer K., Gmehling J.    Journal    J.Chem.Eng.Data, 44, 3, 373 378 (1999)
1999    Vapor-Liquid Equilibria and Vapor Pressure Data for the Systems Ethyl tert-Butyl Ether + Ethanol and Ethyl tert-Butyl Ether and Water    Rarey J., Horstmann S., Gmehling J.    Journal    J.Chem.Eng.Data, 44, 3, 532 538 (1999)
1999    Measurement of Thermodynamic Properties for the System Sulfur Hexafluoride + Water    Strothmann B., Fischer K., Gmehling J.    Journal    J.Chem.Eng.Data, 44, 3, 388 392 (1999)
1999    The Determination of Activity Coefficients at Infinite Dilution with the Help of the Dilutor Technique (Inert Gas Stripping)    Gruber D., Krummen M., Gmehling J.    Journal    Chem.Eng.Technol., 22, 10, 827 831 (1999)
1999    Measurement of Activity Coefficients at Infinite Dilution Using Gas-Liquid Chromatography. 10. Results for Various Solutes with the Stationary Phases Dimethyl Sulfoxide, Propylene Carbonate, and N-Ethylformamide    Topphoff M., Gruber D., Gmehling J.    Journal    J.Chem.Eng.Data, 44, 6, 1355 1359 (1999)
1998    Measurement of Activity Coefficients at Infinite Dilution Using Gas-Liquid Chromatography. 7. Results for Various Solutes with N-Methyl-2-piperidone as Stationary Phase    Gruber D., Langenheim D., Moollan W., Gmehling J.    Journal    J.Chem.Eng.Data, 43, 2, 226 229 (1998)
1998    Measurement of Activity Coefficients at Infinite Dilution Using Gas-Liquid Chromatography. 9. Results for Various Solutes with the Stationary Phases 2-Pyrrolidone and N-Methylformamide    Gruber D., Topphoff M., Gmehling J.    Journal    J.Chem.Eng.Data, 43, 6, 935 940 (1998)
1997    Measurement of activity coefficients at infinite dilution using gas-liquid chromatography. 8. Results for 22 solutes in tetraethylene glycol dimethyl ether and 18 solutes in triethylene glycol dibutyl ether at 303.15 K and 343.15 K    Gruber D., Topphoff M., Gmehling J.    Journal    Eldata Int.Electron.J.Phys.-Chem.Data, 3, 2, 215 224 (1997)
1997    Measurement of Activity Coefficients at Infinite Dilution using Gas-Liquid Chromatography. 6. Results for Systems Exhibiting Gas-Liquid Interface Adsorption with 1-Octanol    Gruber D., Langenheim D., Gmehling J., Moollan W.    Journal    J.Chem.Eng.Data, 42, 5, 882 885 (1997)
1997    Measurement of Activity Coefficients at Infinite Dilution Using Gas-Liquid Chromatography. 5. Results for N-Methylacetamide, N,N-Dimethylacetamide, N,N-Dibutylformamide, and Sulfolane as Stationary Phases    Moellmann C., Gmehling J.    Journal    J.Chem.Eng.Data, 42, 1, 35 40 (1997)
1996    Vapor-liquid equilibria, activity coefficients at infinite dilution and heats of mixing for mixtures of N-methyl pyrrolidone-2 with C5 or C6 hydrocarbons and for hydrocarbon mixtures    Fischer K., Gmehling J.    Journal    Fluid Phase Equilib., 119, 7, 113 130 (1996)
1995    Activity Coefficients at Infinite Dilution of Fluorobenzene, 1´,1´,1´-Trifluorotoluene and Iodoethane in Toluene    Atik Z., Gmehling J.    Journal    J.Soc.Alger.Chim., 5, 2, 81 87 (1995)
1994    P-x and gamma infinite Data for the Different Binary Butanol-Water Systems at 50C    Fischer K., Gmehling J.    Journal    J.Chem.Eng.Data, 39, 2, 309 315 (1994)
1993    Messung von Aktivitaetskoeffizienten bei unendlicher Verduennung (gamma) in N-Octyl-2-pyrrolidon mittels Gas-Fluessigkeits-Chromatographie    Gmehling J., Moellmann C.    internal report    Unpublished Data, 38, 1, 1 2 (1993)
1993    Measurement of Activity Coefficients at Infinite Dilution Using Differential Ebulliometry and Non-Steady-State Gas-Liquid    Dallinga L., Schiller M., Gmehling J.    Journal    J.Chem.Eng.Data, 38, 1, 147 155 (1993)
1992    Bestimmung von Aktivitaetskoeffizienten bei unendlicher Verduennung (Henry-Koeffizienten) in verschiedenen Alkylglykoldialkylethern    Schiller M., Gmehling J.    Journal    Chem.Ing.Tech., 64, 5, 458 460 (1992)
1992    Measurement of Activity Coefficients at Infinite Dilution using Gas-Liquid Chromatography. 4. Results for Alkylene Glycol Dialkyl Ethers as Stationary Phases    Schiller M., Gmehling J.    Journal    J.Chem.Eng.Data, 37, 4, 503 508 (1992)
1989    Measurement of gamma infinite using Gas-Liquid Chromatography. 3. Results for the Stationary Phases 10-Nonadecanone, N-Formylmorpholine, 1-Pentanol, m-Xylene, and Toluene    Knoop C., Tiegs D., Gmehling J.    Journal    J.Chem.Eng.Data, 34, 2, 240 247 (1989)