MICROSCALE-BASED MODELING OF POLYNUCLEAR AROMATIC HYDROCARBON TRANSPORT AND BIODEGRADATION IN SOIL

A mathematical model to describe polynuclear aromatic hydrocarbon (PAH ) desorption, transport, and biodegradation in saturated soil was cons tructed by describing kinetics at a microscopic level and incorporatin g this description into macroscale transport equations. This approach is novel in that the macroscale predictions are made independently fro m a knowledge of microscale kinetics and macroscopic fluid dynamics an d no adjustable parameters are used to fit the macroscopic response. i t was assumed that soil organic matter, the principal site of PAH sorp tion, was composed of a continuum of compartments with a gamma distrib ution of desorption rate coefficients. The mass transport of substrate s and microorganisms in a mesopore was described by diffusion and that in a macropore by one-dimensional advection and dispersion. Naphthale ne was considered as a test PAH compound for initial model simulations . Three mechanisms of naphthalene biodegradation were considered: grow th-associated degradation as a carbon and energy source for microbial growth; degradation for maintenance energy; and growth-independent deg radation. The Haldane modification of the Monod equation was used to d escribe microbial growth rates and to account for possible growth inhi bition by naphthalene. Multisubstrate interactions were considered and described with a noninteractive model for specific growth rates. The sensitivity of selected model parameters was analyzed under conditions when naphthalene was the sole growth-rate-limiting substrate. The tim e necessary to achieve a specific degree of naphthalene biodegradation was found to be proportional to the initial concentration of naphthal ene in soil organic matter. The biodegradation rate of naphthalene inc reased when the sorption equilibrium constant of naphthalene was reduc ed. The presence of an alternative carbon source inhibited naphthalene biodegradation in spite of the calculated increase in biomass. (C) 19 96 John Wiley & Sons, Inc.