Modeling Transport of Multiple Organic Compounds: Segregated Transport‐Sorption/Solubilization Numerical Technique

The transport of multiple organic contaminants in the subsurface may be affected by their mutual interactions. Conventional modeling approaches cannot simulate the transport of multiple organic species whose sorption and/or solubilization is interdependent. This paper describes a numerical modeling approach for characterizing interactive solute sorption and solubilization reactions coupled with one-dimensional advective-dispersive transport in porous media. This numerical approach, referred to as segregated transport-sorption/solubilization (STSS), allows for interphase mass transfer at each time step after solute advection and dispersion have occurred. The overall capabilities of the STSS technique include modeling equilibrium or nonequilibrium transport of individual and multiple solutes with linear or nonlinear sorption isotherms. Application of this modeling approach is illustrated for the transport of a conservative tracer, a surfactant, a hydrophobic organic compound (HOC), and a polychlorinated biphenyl (PCB) mixture. The coupling of sorption modules for phenanthrene and surfactant is used to reasonably describe surfactant-enhanced flushing of sorbed phenanthrene from a sand column.

[1]  H. D. Schulz,et al.  A combined mixing Cell/Analytical model to describe two-dimensional reactive solute transport for unidirectional groundwater flow , 1983 .

[2]  J. Lee,et al.  Enhanced retention of organic contaminants by soils exchanged with organic cations , 1989 .

[3]  S. Partyka,et al.  The adsorption of non-ionic surfactants on a silica gel , 1984 .

[4]  Kurt D. Pennell,et al.  Surfactant-enhanced solubilization of residual dodecane in soil columns. 1. Experimental investigation , 1993 .

[5]  P. Somasundaran,et al.  ADSORPTION BEHAVIOR OF ALKYLARYLETHOXYLATED ALCOHOLS ON SILICA , 1991 .

[6]  R. Luthy,et al.  Sorption and Transport Kinetics of a Nonionic Surfactant through an Aquifer Sediment. , 1995, Environmental science & technology.

[7]  Mark N. Goltz,et al.  Interpreting organic solute transport data from a field experiment using physical nonequilibrium models , 1986 .

[8]  W. J. Alves,et al.  Analytical solutions of the one-dimensional convective-dispersive solute transport equation , 1982 .

[9]  Robert L. Street,et al.  A Groundwater Mass Transport and Equilibrium Chemistry Model for Multicomponent Systems , 1985 .

[10]  D. Marquardt.  An Algorithm for Least-Squares Estimation of Nonlinear Parameters , 1963 .

[11]  A. Lemley,et al.  TRANSPORT OF DISSOLVED ORGANIC MACROMOLECULES AND THEIR EFFECT ON THE TRANSPORT OF PHENANTHRENE IN POROUS MEDIA , 1991 .

[12]  D. W. Nelson,et al.  Total Carbon, Organic Carbon, and Organic Matter 1 , 1982 .

[13]  Donald L. Suarez,et al.  Two-dimensional transport model for variably saturated porous media with major ion chemistry , 1994 .

[14]  K. G. Stollenwerk,et al.  Computer model of one-dimensional equilibrium controlled sorption processes , 1984 .

[15]  E. Dennis,et al.  The size, shape, and hydration of nonionic surfactant micelles. Triton X-100 , 1977 .

[16]  Evaluation of Sorption Models in the Simulation of Naphthalene Transport Through Saturated Soils , 1991 .

[17]  Jack C. Parker,et al.  Boundary Conditions for Displacement Experiments through Short Laboratory Soil Columns , 1984 .

[18]  James W. Mercer,et al.  Simulation of Biodegradation and Sorption Processes in Ground Water , 1988 .

[19]  Mark L. Brusseau,et al.  Rate‐limited mass transfer and transport of organic solutes in porous media that contain immobile immiscible organic liquid , 1992 .

[20]  John A. Cherry,et al.  Groundwater contamination: pump-and-treat remediation , 1989 .

[21]  L. Thibodeaux,et al.  Relationships between micelle-water and octanol-water partition constants for hydrophobic organics of environmental interest , 1989 .

[22]  D. W. Nelson,et al.  Total Carbon, Organic Carbon, and Organic Matter , 1983, SSSA Book Series.

[23]  T. Gibson,et al.  Laboratory studies of surfactant-enhanced washing of polychlorinated biphenyl from sandy material , 1991 .

[24]  W. Shiu,et al.  Dissolution of non-aqueous phase liquids in groundwater , 1991 .

[25]  William R. Goodin,et al.  Numerical solution of the atmospheric diffusion equation for chemically reacting flows , 1982 .

[26]  T. Gibson,et al.  Selection of Surfactants for the Removal of Petroleum Products from Shallow Sandy Aquifers , 1990 .

[27]  Sujoy B. Roy,et al.  Sorption and transport of individual PCB congeners in the subsurface: Modeling and experimental studies , 1995 .

[28]  F. Molz,et al.  Simulation of Microbial Growth Dynamics Coupled to Nutrient and Oxygen Transport in Porous Media , 1986 .

[29]  T. Holsen,et al.  Removal of sparingly soluble organic chemicals from aqueous solutions with surfactant-coated ferrihydrite , 1991 .

[30]  B. G. Oliver.  Desorption of chlorinated hydrocarbons from spiked and anthropogenically contaminated sediments , 1985 .

[31]  R. E. Jessup,et al.  Nonequilibrium sorption of organic chemicals: elucidation of rate-limiting processes , 1991 .

[32]  R. Wershaw.  A new model for humic materials and their interactions with hydrophobic organic chemicals in soil-water or sediment-water systems , 1986 .

[33]  A. G. Hornsby,et al.  Influence of organic cosolvents on leaching of hydrophobic organic chemicals through soils , 1987 .

[34]  S. J. Gregg,et al.  Adsorption Surface Area and Porosity , 1967 .

[35]  Warren W. Wood,et al.  Prediction and Field Verification of Subsurface‐Water Quality Changes During Artificial Recharge, Lubbock, Texas , 1979 .

[36]  W. Shiu,et al.  A Critical Review of Aqueous Solubilities, Vapor Pressures, Henry’s Law Constants, and Octanol–Water Partition Coefficients of the Polychlorinated Biphenyls , 1986 .

[37]  John T. Wilson,et al.  Transport and Fate of Selected Organic Pollutants in a Sandy Soil , 1981 .

[38]  William H. Press,et al.  Book-Review - Numerical Recipes in Pascal - the Art of Scientific Computing , 1989 .

[39]  Jack C. Parker,et al.  Determining transport parameters from laboratory and field tracer experiments , 1984 .

[40]  Carl G. Enfield,et al.  Approximating Pollutant Transport to Ground Watera , 1982 .

[41]  T. A. Prickett,et al.  A "random-walk" solute transport model for selected groundwater quality evaluations , 1981 .