title: Interfacial tension of chlorinated aliphatic DNAPL mixtures as a function of organic phase composition.
abstract: This research evaluates the ability of three models to predict the organic liquid-water interfacial tension (IFT) of chlorinated aliphatic hydrocarbon mixtures that are dense nonaqueous-phase liquids (DNAPLs). Prediction of the IFT is relevantto quantify processes such as DNAPL trapping in soil pores and kinetic interphase mass transfer. Three models are evaluated: the Fu et al. method (FU) [Fu, J.; Buqiang, L.; Zihao, W. Chem. Eng. Sci. 1986,41 (10), 2673-2679]; a modified version of the Apostoluk and Szymanowski method (AS) [Apostoluk, W.; Szymanowski, J. Solvent Extr. Ion Exch. 1996, 14 (4), 635-651], and a simple linear ideal mixing theory (LIMT). The FU and AS methods require knowledge of NAPL-phase mole fractions and mutual solubilities. The LIMT method requires the pure organic liquid IFT and DNAPL-phase mole fraction as model input. Forty chlorinated DNAPL mixtures were used. The mixtures include two-, three-, and four-component DNAPL mixtures of tetrachloroethylene, trichloroethylene, 1,2-cis-dichloroethylene, 1,2-trans-dichloroethylene, and carbon tetrachloride. Measured IFTvaries nearlylinearlywith DNAPL-phase mole fraction for the all the DNAPL mixtures except those that include 1,2-DCE. The FU and LIMT models generally provided acceptable results for all mixtures. The FU model yielded an average relative error in the predicted IFT of 6.4%, while the LIMT model exhibited an average error of 9.3%. The AS method exhibited an average error of 16.4%.
authors.affiliation: Department of Geology and Geological Engineering, Colorado School of Mines, Golden 80401-1887, USA.
authors.forename: Hyeyoung Sophia
authors.initials: HS
authors.lastname: Seo
authors.forename: John E
authors.initials: JE
authors.lastname: McCray
mesh_terms: D055598:Chemical Phenomena; D002627:Chemistry, Physical; D005544:Forecasting; D006843:Hydrocarbons, Chlorinated / Q000737:chemistry*; D008956:Models, Chemical; D012995:Solubility; D012997:Solvents; D014874:Water Pollutants, Chemical
chemical_list: D006843:Hydrocarbons, Chlorinated; D012997:Solvents; D014874:Water Pollutants, Chemical