Application and Evaluation of Two Air Quality Models for Particulate Matter for a Southeastern U.S. Episode

Abstract

The Models-3 Community Multiscale Air Quality (CMAQ) Modeling System and the Particulate Matter Comprehensive Air Quality Model with extensions (PMCAMx) were applied to simulate the period June 29–July 10, 1999, of the Southern Oxidants Study episode with two nested horizontal grid sizes: a coarse resolution of 32 km and a fine resolution of 8 km. The predicted spatial variations of ozone (O₃), particulate matter with an aerodynamic diameter less than or equal to 2.5 μm (PM_2.5), and particulate matter with an aerodynamic diameter less than or equal to 10 μm (PM₁₀) by both models are similar in rural areas but differ from one another significantly over some urban/suburban areas in the eastern and southern United States, where PMCAMx tends to predict higher values of O₃ and PM than CMAQ. Both models tend to predict O₃ values that are higher than those observed. For observed O₃ values above 60 ppb, O₃ performance meets the U.S. Environmental Protection Agency's criteria for CMAQ with both grids and for PMCAMx with the fine grid only. It becomes unsatisfactory for PMCAMx and marginally satisfactory for CMAQ for observed O₃ values above 40 ppb.

Both models predict similar amounts of sulfate (SO₄ ^2?) and organic matter, and both predict SO₄ ^2? to be the largest contributor to PM_2.5. PMCAMx generally predicts higher amounts of ammonium (NH₄ ⁺), nitrate (NO₃ ^?), and black carbon (BC) than does CMAQ. PM performance for CMAQ is generally consistent with that of other PM models, whereas PMCAMx predicts higher concentrations of NO₃ ^?,NH₄ ⁺, and BC than observed, which degrades its performance. For PM₁₀ and PM_2.5 predictions over the southeastern U.S. domain, the ranges of mean normalized gross errors (MNGEs) and mean normalized bias are 37–43% and –33–4% for CMAQ and 50–59% and 7–30% for PMCAMx. Both models predict the largest MNGEs for NO₃ ^? (98–104% for CMAQ, 138–338% for PMCAMx). The inaccurate NO₃ ^? predictions by both models may be caused by the inaccuracies in the ammonia emission inventory and the uncertainties in the gas/particle partitioning under some conditions. In addition to these uncertainties, the significant PM overpredictions by PMCAMx may be attributed to the lack of wet removal for PM and a likely underprediction in the vertical mixing during the daytime.     

Production of the monoclonal antibody against tylosin for immunoassay of macrolide antibiotics in milk

The objective of the present study was to develop an immunoassay for multi-determination of the residues of four macrolide antibiotics in milk. Tylosin was derivatized with 6-aminohexanoic acid to synthesize a hapten that was used to produce the monoclonal antibody. The obtained monoclonal antibody simultaneously recognized tylosin, acetylisovaleryltylosin, tilmicosin and desmycosin with crossreactivities of 100%, 91%, 49% and 76%, respectively. Then an indirect competitive immunoassay was developed to determine the four analytes in milk simultaneously. The limits of detection for the four analytes were in the range of 5.5–11.7 ng/mL depending on the compound. The recoveries of the four analytes from fortified blank milk were in the range of 78%–96% with coefficients of variation lower than 11.4%. The developed immunoassay could be used as a practical tool for rapid screening the residues of the four anlytes in milk.     

Chemical oxidation of sulfadiazine by the Fenton process: Kinetics,pathways, toxicity evaluation

This paper investigated sulfadiazine oxidation by the Fenton process under various reaction conditions. The reaction conditions tested in the experiments included the initial pH value of reaction solutions, and the dosages of ferrous ions and hydrogen peroxide. Under the reaction conditions with pH 3, 0.25 mM of ferrous ion and 2 mM of hydrogen peroxide, a removal efficiency of nearly 100% was achieved for sulfadiazine. A series of intermediate products including 4-OH-sulfadiazine/or 5-OH-sulfadiazine, 2-aminopyrimidine, sulfanilamide, formic acid, and oxalic acid were identified. Based on these products, the possible oxidation pathway of sulfadiazine by Fenton's reagent was proposed. The toxicity evaluation of reaction solutions showed increased antimicrobial effects following the Fenton oxidation process. The results from this study suggest that the Fenton oxidation process could remove sulfadiazine, but also increase solution toxicity due to the presence of more toxic products.     

An interprovincial cooperative game model for air pollution control in China

The noncooperative air pollution reduction model (NCRM) that is currently adopted in China to manage air pollution reduction of each individual province has inherent drawbacks. In this paper, we propose a cooperative air pollution reduction game model (CRM) that consists of two parts: (1) an optimization model that calculates the optimal pollution reduction quantity for each participating province to meet the joint pollution reduction goal; and (2) a model that distribute the economic benefit of the cooperation (i.e., pollution reduction cost saving) among the provinces in the cooperation based on the Shapley value method. We applied the CRM to the case of SO₂ reduction in the Beijing–Tianjin–Hebei region in China. The results, based on the data from 2003–2009, show that cooperation helps lower the overall SO₂ pollution reduction cost from 4.58% to 11.29%. Distributed across the participating provinces, such a cost saving from interprovincial cooperation brings significant benefits to each local government and stimulates them for further cooperation in pollution reduction. Finally, sensitivity analysis is performed using the year 2009 data to test the parameters’ effects on the pollution reduction cost savings.

Implications: China is increasingly facing unprecedented pressure for immediate air pollution control. The current air pollution reduction policy does not allow cooperation and is less efficient. In this paper we developed a cooperative air pollution reduction game model that consists of two parts: (1) an optimization model that calculates the optimal pollution reduction quantity for each participating province to meet the joint pollution reduction goal; and (2) a model that distributes the cooperation gains (i.e., cost reduction) among the provinces in the cooperation based on the Shapley value method. The empirical case shows that such a model can help improve efficiency in air pollution reduction. The result of the model can serve as a reference for Chinese government pollution reduction policy design.     

Modeling of Solid Particle Flow and Heat Transfer in Rotary Kiln Calciners

Abstract

Contaminated solid wastes exist in many industrial sites, gas plants, and oil refineries. One method of decontaminating the soil is to subject it to high temperatures in a rotary calciner in an anaerobic environment. Preliminary results from a computational model are presented in this paper for the flow and heat transfer from granular solid particles under treatment in a rotary kiln calciner. A fluidization model using kinetic theory of granular flow has been employed to solve the particle flow and heat transfer problem. While a two-dimensional model is used to predict the rotation induced flow of the solid particles, a pseudo three-dimensional model for heat transfer is developed where the axial bulk temperature gradient is obtained from a one-dimensional energy balance model. The model predictions indicate interesting features of the flow and temperature fields in the bed material. Future tasks include the development of a devolatilization model to study the decontamination of waste soil in the rotary calciner.     

Biofiltration Control of Hydrogen Sulfide 1. Design and Operational Parameters

Laboratory scale biological filter systems for control of hydrogen sulfide (H₂S) in waste gas have been studied and the optimum design and operating parameters determined. Extensive tests have been conducted to evaluate the effect of various filter bed operating parameters such as temperature, retention time, H₂S concentration, and H₂S loading rate. Variable properties of new and used composts such as sulfate content, acidity, and water content have been studied for their influence on H₂S removal efficiency. The effects of compost particle size distribution on system pressure drop and the maximum H₂S elimination capacity were examined. Biofiltration systems containing various types of yard waste compost as the filter material have been observed to remove hydrogen sulfide with efficiencies greater than 99.9 percent for H₂S inlet concentrations in the range from 5 to 2650 ppmv.     

Partitioning and bioaccumulation of metals from oil sands process affected water in indigenous Parachlorella kessleri

This paper studies the partitioning and bioaccumulation of ten target metals (⁵³Cr, Mn, Co, ⁶⁰Ni, ⁶⁵Cu, ⁶⁶Zn, As, ⁸⁸Sr, ⁹⁵Mo and Ba) from oil sands tailings pond water (TPW) by indigenous Parachlorella kessleri. To determine the role of extracellular and intracellular bioaccumulation in metal removal by P. kessleri, TPW samples taken from two oil sands operators (Syncrude Canada Ltd. and Albian Sands Energy Inc.) were enriched with nutrient supplements.Results indicate that intracellular bioaccumulation played the main role in metal removal from TPW; whereas extracellular bioaccumulation was only observed to some extent for Mn, Co, ⁶⁰Ni, ⁶⁵Cu, ⁸⁸Sr, ⁹⁵Mo and Ba. The FTIR scan and titration of functional groups on the cell surface indicated low metal binding capacity by indigenous P. kessleri. However, it is believed that the dissolved cations and organic ligand content in TPW (such as naphthenic acids) may interfere with metal binding on the cell surface and lower extracellular bioaccumulation. In addition, the total bioaccumulation and bioconcentration factor (BCF) varied during the cultivation period in different growth regimes.     

Decomposition of silicate minerals by Bacillus mucilaginosus in liquid culture

The extraction of K⁺ and SiO₂ from silicate minerals by Bacillus mucilaginosus in liquid culture was studied in incubation experiments. B. mucilaginosus was found to dissolve soil minerals and mica and simultaneously release K⁺ and SiO₂ from the crystal lattices. In contrast, the bacterium did not dissolve feldspar. B. mucilaginosus also produced organic acids and polysaccharides during growth. The polysaccharides strongly adsorbed the organic acids and attached to the surface of the mineral, resulting in an area of high concentration of organic acids near the mineral. The polysaccharides also adsorbed SiO₂ and this affected the equilibrium between the mineral and fluid phases and led to the reaction toward SiO₂ and K⁺ solubilization. These two processes led to the decomposition of silicate minerals by the bacterium.     

Heavy metals associated with reduced sulfur in sediments from different deposition environments in the Pearl River estuary, China

Distribution of acid volatile sulfur (AVS) and the simultaneously extracted metals (SEM: Cu, Pb, Zn, Cd, Ni) in sediment profiles has been studied at five sites in Pearl River estuary, China. Of the five sampling locations, Nos.1 and 2 are in the middle shoal, Nos.3 and 4 in the west shoal and No. 5 locates to the south of the estuary. The AVS content in the sediments of the middle shoal varies in a small range (0.25–4.06 μmol g⁻¹), while that of west shoal increases with depth from 0 to ultimately 26.09 μmol g⁻¹. The SEM concentration in the sediment profiles at location Nos. 1, 2 and 5 is generally in the range of 0.95±0.2 μmol g⁻¹ with a slight upward increase, while that in the sediment of west shallows are much higher (1.43–2.42 μmol g⁻¹) with a significant upward increase, especially in the upper layer of ca. 15 cm. The observed upward increase of SEM content at all the sites implies that heavy metal contamination of sediment in the Pearl River estuary is increasing. Calculations of the excess heavy metal content which is defined by SEM-AVS molar difference suggests that the upper sediment in the Pearl River estuary, especially on the west shallows, could be a source of heavy metal contaminants and may cause toxicity to the benthos. The site-specific distribution patterns in the AVS and SEM profiles were interpreted according to the hydrogeochemistry of deposition environments.