16, 622–632. 20, 611–615. Analysis of mass transfer parameters

more inter-phase mass transfer terms, although possibly providing better fit to experimental data, can lead to diffi- culty in determining actual best-fit values. The problem of determining unique values for each term may be due to a high degree of correlation between terms such as the wetting phase film thickness and the specific interfacial area, or to the small influence of a term on the final model results, such as the non-wetting phase film thickness. Additional experimental data should provide more insight into which mass transfer terms can be uniquely determined and which terms can be combined as effective parameters. From sensitivity studies, it can be concluded that additional saturation and wetting phase concentration data will likely not provide information regarding the non-wetting film thickness, or the ratio of the wetting phase film thickness to the interfacial area. Non-wetting phase composition data should, however, provide insight into the non-wetting phase film thickness. From model calibration using alcohol flooding data for an IPA–water–PCE ternary system, conditions that approached equilibrium were found to occur. Increased mass transfer rates had very little impact on simulation out- come. For alcohol flooding using a 1-propanol–water–TCE system, significant differences were found when comparing results from the equilibrium and the non-equilibrium models. Although these findings are preliminary, it is sug- gested that application of an equilibrium assumption to an alcohol flood where alcohol tends to swell the organic should be used with caution. ACKNOWLEDGEMENTS The work contained in this paper was supported by Martin Marietta Energy Systems Inc. of Oak Ridge National Laboratories in Oak Ridge, Tennessee under subcontract No. 19Y-GUG26V. Additional funding was provided by the Solvents in Groundwater Consortium which receives support from Boeing, Ciba-Geigy, Eastman Kodak, General Electric, Motorola, PPG, and UTC. Further acknowledg- ment is given to the Natural Science and Engineering Research Council of Canada and Queen’s University in Kingston, Ontario. A special acknowledgment is extended to Dr. Ross Taylor at Clarkson University for advice on multicomponent mass transfer and for review of the mass transfer equation development. REFERENCES 1. Abriola, L.M. Pinder, G.F. A multiphase approach to the modeling of porous media contamination by organic com- pounds; numerical simulation. Water Resour. Res., 1985, 211, 19–26. 2. Adams, D.S. Prausnitz, J.M. Statistical thermodynamics of liquid mixtures: A new expression for the excess Gibbs Energy of partly or completely miscible systems. AIChE J., 1975, 21, 116–128. 3. Baehr, A.L. Corapcioglu, M.Y. A compositional multiphase model for groundwater contamination by petroleum products 2. numerical solution. Water Resour. Res., 1987, 231, 201–213. 4. Bergelin, O., Lockhart, F.J. Brown, G.G. Liquid-liquid extraction. Trans. Am. Inst. Chem. Engrs., 1943, 39, 173– 200. 5. Bhuyan, D., Pope, G.A. Lake, L.W. Mathematical model- ing of high-pH chemical flooding. SPE Res. Eng., 1990, 52, 213–220. 6. Blunt, M. Rubin, B. Implicit flux limiting schemes for petroleum reservoir simulation. J. Comp. Phys., 1992, 102, 194–210. 7. Brame, S. E., Development of a Numerical Simulator for the In Situ Remediation of Dense, Non-aqueous Phase Liquids Using Alcohol Flooding. M.Sc. Thesis. Clemson University, Clemson, SC, 1993. 8. Brandes, D. Farley, K.J. Importance of phase behavior on the removal of residual DNAPLs from porous media by alcohol flooding. Water Environ. Res., 1993, 657, 869–878. 9. Brown, C.L., Pope, G.A., Abriola, L.M. Sepehrnoori, K. Simulation of surfactant-enhanced aquifer remediation. Water Resour. Res., 1994, 3011, 2959–2977. 10. Brussseau, M.L. Rate-limited mass transfer and transport of organic solutes in porous media that contain immobile immiscible organic liquid. Water Resour. Res., 1992, 281, 33–45. 11. Corteville, J., Van Quy, N., and Simandoux, P., A numerical and experimental study of miscible or immiscible fluid flow in porous media with interphase mass transfer. In 46th Annual Fall Meeting of the SPE of AIME, New Orleans, LA, Oct. 3-6, 1971. 12. Culham, W. E., Farouq Ali, S. M., and Stahl, C. D., Experi- mental and numerical simulation of two-phase flow with interphase mass transfer in one and two dimensions, SPEJ, September 1969 323–37. 13. Datta Gupta, A., Pope, G.A., Sepehrnoori, K. Thrasher, R.L. A symmetric, positive definite formulation of a three- dimensional micellarpolymer simulator. SPE Res. Eng.,

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