Interfacial tension of chlorinated aliphatic DNAPL mixtures as a function of organic phase composition

Environ Sci Technol. 2002 Mar 15;36(6):1292-8. doi: 10.1021/es010931q.

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%.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Chemical Phenomena
  • Chemistry, Physical
  • Forecasting
  • Hydrocarbons, Chlorinated / chemistry*
  • Models, Chemical*
  • Solubility
  • Solvents
  • Water Pollutants, Chemical

Substances

  • Hydrocarbons, Chlorinated
  • Solvents
  • Water Pollutants, Chemical