Modeling in-situ uranium(VI) bioreduction by sulfate-reducing bacteria

We present a travel-time based reactive transport model to simulate an in-situ bioremediation experiment for demonstrating enhanced bioreduction of uranium(VI). The model considers aquatic equilibrium chemistry of uranium and other groundwater constituents, uranium sorption and precipitation, and the microbial reduction of nitrate, sulfate and U(VI). Kinetic sorption/desorption of U(VI) is characterized by mass transfer between stagnant micro-pores and mobile flow zones. The model describes the succession of terminal electron accepting processes and the growth and decay of sulfate-reducing bacteria, concurrent with the enzymatic reduction of aqueous U(VI) species. The effective U(VI) reduction rate and sorption site distributions are determined by fitting the model simulation to an in-situ experiment at Oak Ridge, TN. Results show that (1) the presence of nitrate inhibits U(VI) reduction at the site; (2) the fitted effective rate of in-situ U(VI) reduction is much smaller than the values reported for laboratory experiments; (3) U(VI) sorption/desorption, which affects U(VI) bioavailability at the site, is strongly controlled by kinetics; (4) both pH and bicarbonate concentration significantly influence the sorption/desorption of U(VI), which therefore cannot be characterized by empirical isotherms; and (5) calcium-uranyl-carbonate complexes significantly influence the model performance of U(VI) reduction.     

Forecasting volatility of carbon under EU ETS: a multi-phase study

Environmental Economics and Policy Studies - Carbon management is a strategic priority and organizations need to forecast carbon for that. We aim to find out the best ARIMA-GARCH model for...     

PARAMETRIC ESTIMATION OF COVARIANCES OF REGIONALIZED VARIABLES1

ABSTRACT: The usefulness of stochastic models in describing the spatial variability of hydrogeologic quantities, such as permeability, storativity, piezometric head, seepage velocity, and solute concentrations is now widely recognized. In practice, these quantities are represented as the sum of a well-structured component, or drift, and a more erratic fluctuation component which is described statistically through its covariance function. This paper reviews some of the most recent and most promising methods for the estimation of parameters of these covariances from existing data. They are maximum likelihood, restricted maximum likelihood, minimum-variance unbiased quadratic estimation, and minimum-norm (weighted least squares) estimation. The applicability of such methods to conditional and unconditional probability problems is discussed.     

Transport of volatile compounds in porous media in the presence of a trapped gas phase

The presence of an immobile gaseous phase in an otherwise-saturated porous medium affects the transport of volatile compounds. The linear theory of partitioning tracers suggests that a volatile tracer introduced into such a system should be retarded with a constant retardation factor. Using high concentrations, however, the saturation of the gaseous phase will change as an effect of the tracer test itself. Competitive gas transfer among all volatile compounds and the change of saturation may lead to tracer concentrations that are temporarily higher than those injected. We analyze the system in the framework of the coherence theory by Helfferich [Soc. Pet. Eng. J. 21 (1) (1981) 51]. The governing equations are formulated as functions of total concentration, i.e., the mass of solutes in all phases per pore volume. Neglecting dispersion and mass-transfer kinetics, we derive the characteristic form of the resulting system of hyperbolic equations. In a system with N volatile compounds, a variation of the concentrations splits up into N waves, each traveling with its own characteristic velocity. If the presence of a gaseous phase is sustained, one wave will be a standing one. We perform numerical model calculations for tracers with various Henry's law coefficients and show that the results agree with the semi-analytical solution obtained by coherence theory.     

Effects of biomass accumulation on microbially enhanced dissolution of a PCE pool: a numerical simulation

Recent studies have shown that dechlorinating bacteria can accelerate the dissolution rate of dense, nonaqueous phase liquids (DNAPLs) containing tetrachloroethene (PCE). We present an advection-dispersion-reaction model for a two-dimensional domain, with groundwater flowing over a pool of free-product PCE. PCE is converted to cis-1,2-dichloroethene (cDCE) and toxicity due to PCE or cDCE is neglected. We adopt previously published correlations relating biomass concentrations and hydraulic conductivity, accounting for biofilm growth and plug-like growth. The system of coupled equations is solved numerically. The high biotransformation rate of PCE increases the concentration gradient of PCE at the water-DNAPL interface, enhancing dissolution. The higher the electron donor (ED) concentration, the larger the dissolution enhancement. Based on the values of maximum specific rate we used, when the electron donor is unlimited, the active biomass accumulates adjacent to the water-NAPL interface and microbial reactions can significantly enhance the pool dissolution. The resulting steady-state dissolution rate can be approximated by a half-order solution when zero-order kinetics are suitable for representing the microbial reaction. However, bioclogging may significantly reduce local hydraulic conductivity; thus, it decreases the flow near the water-DNAPL interface, decreasing dissolution. When the ED is the limiting factor, active biomass accumulates away from the interface. This creates a no-flow zone between the active biomass and the interface. The enlargement of the no-flow zone, due to the donor limitation, diminishes the concentration gradient and the flushing around the water-DNAPL interface. Such adverse impacts may significantly decrease the enhancement predicted by models that do not consider the effects of bioclogging.     

地下水铀污染的原位微生物还原与固定:在美国能源部田纳西橡树岭放射物污染现场的试验

总结了美国斯坦福大学和橡树岭国家实验室等在美国能源部田纳西州橡树岭综合试验基地进行的铀污染原位微生物修复阶段性试验结果.本试验利用微生物以乙醇为电子供体还原地下水和沉积物中的六价铀为不溶解的四价铀,使之原位固定化.随后通过加入溶解氧和硝酸盐来试验微生物还原后的地下水层中还原固定态铀的稳定性.通过预处理和长期间隔注入乙醇...     

A parametric transfer function methodology for analyzing reactive transport in nonuniform flow

We analyze reactive transport during in-situ bioremediation in a nonuniform flow field, involving multiple extraction and injection wells, by the method of transfer functions. Gamma distributions are used as parametric models of the transfer functions. Apparent parameters of classical transport models may be estimated from those of the gamma distributions by matching temporal moments. We demonstrate the method by application to measured data taken at a field experiment on bioremediation conducted in a multiple-well system in Oak Ridge, TN. Breakthrough curves (BTCs) of a conservative tracer (bromide) and a reactive compound (ethanol) are measured at multi-level sampling (MLS) wells and in extraction wells. The BTCs of both compounds are jointly analyzed to estimate the first-order degradation rate of ethanol. To quantify the tracer loss, we compare the approaches of using a scaling factor and a first-order decay term. Results show that by including a scaling factor both gamma distributions and inverse-Gaussian distributions (transfer functions according to the advection-dispersion equation) are suitable to approximate the transfer functions and estimate the reactive rate coefficients for both MLS and extraction wells. However, using a first-order decay term for tracer loss fails to describe the BTCs at the extraction well, which is affected by the nonuniform distribution of travel paths.     

Estimating first-order reaction rate coefficient for transport with nonequilibrium linear mass transfer in heterogeneous media

A travel-time based approach is developed for estimating first-order reaction rate coefficients for transport with nonequilibrium linear mass transfer in heterogeneous media. Tracer transport in the mobile domain is characterized by a travel-time distribution, and mass transfer rates are described by a convolution product of concentrations in the mobile domain and a memory function rather than predefining the mass transfer model. A constant first-order reaction is assumed to occur only in the mobile domain. Analytical solutions in Laplace domain can be derived for both conservative and reactive breakthrough curves (BTCs). Temporal-moment analyses are presented by using the first and second moments of conservative and reactive BTCs and the mass consumption of the reactant for an inverse Gaussian travel-time distribution. In terms of moment matching, there is no need for one to specify the mass transfer model. With the same capacity ratio and the mean retention time, all mass transfer models will lead to the same moment-derived reaction rate coefficients. In addition, the consideration of mass transfer generally yields larger estimations of the reaction rate coefficient than models ignoring mass transfer. Furthermore, the capacity ratio and the mean retention time have opposite influences on the estimation of the reaction rate coefficient: the first-order reaction rate coefficient is positively linearly proportional to the capacity ratio, but negatively linearly proportional to the mean retention time.