Reactive organic chemical mass balance

Reactive Organic Chemical Mass Balance (Friedlander). In the original formulation of the CMB receptor model (1) it was recognized that the fractional amounts of various chemical species emitted by a source are not necessarily conserved during the transport of the species to the receptor site. This could occur through both physical (differential dispersion or deposition) or chemical (removal due to atmospheric reactions) processes. This possibility was acknowledged by writing the CMB equations in the form... 

Masclet and co-workers (1986) have also developed a relative PAH decay index. They used it, for example, to identify various major sources of urban pollution and developed a model for PAH concentrations at receptor sites. An interesting and relevant area that is beyond the scope of this chapter is the use of PAHs as organic tracers and incorporating their relative decay rates (reactivities) into such receptor-source, chemical mass balance models. Use of relative rates can significantly improve such model performances (e.g., see Daisey et al., 1986 Masclet et al., 1986 Pistikopoulos et al., 1990a, 1990b Lee et al., 1993 Li and Kamens,... 

Various chemical surface complexation models have been developed to describe potentiometric titration and metal adsorption data at the oxide—mineral solution interface. Surface complexation models provide molecular descriptions of metal adsorption using an equilibrium approach that defines surface species, chemical reactions, mass balances, and charge balances. Thermodynamic properties such as solid-phase activity coefficients and equilibrium constants are calculated mathematically. The major advancement of the chemical surface complexation models is consideration of charge on both the adsorbate metal ion and the adsorbent surface. In addition, these models can provide insight into the stoichiometry and reactivity of adsorbed species. Application of these models to reference oxide minerals has been extensive, but their use in describing ion adsorption by clay minerals, organic materials, and soils has been more limited. 

The purpose of this chapter is to give an overview of the chemical and biological processes that control the reactivity of Fe(II) in heterogeneous aqueous systems with respect to pollutant transformation. To this end, we will evaluate data collected in various laboratory systems as well as field studies. Two classes of model compounds with complementary properties will be used to monitor the reactivity of Fe(II) species in the various systems. Nitroaromatic compounds (NACs) primarily served to characterize the systems in terms of mass and electron balances. Reduction of NACs by Fe(II) species results in only a few major products (aromatic amines and hydroxy-lamines) which can be easily quantified by standard HPLC-UV methods in the low liM range. Polyhalogenated aliphatic compounds (PHAs) were used if little perturbation of the systems in terms of electron transfer to the organic substrates was crucial. Reduction of PHAs requires fewer electrons than nitro reduction and PHAs can be quantified by standard GC-ECD methods in the low ppb range. 

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