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Multimedia fugacity model is a model in environmental chemistry that summarizes the processes controlling chemical behavior in environmental media by developing and applying of mathematical statements or "models" of chemical fate. [1]
Most chemicals have the potential to migrate from the medium to medium. Multimedia fugacity models are utilized to study and predict the behavior of chemicals in different environmental compartments. [1] [2]
The models are formulated using the concept of fugacity, which was introduced by Gilbert N. Lewis in 1901 as a criterion of equilibrium and convenient method of calculating multimedia equilibrium partitioning. The fugacity of chemicals is a mathematical expression that describes the rates at which chemicals diffuse, or are transported between phases. The transfer rate is proportional to the fugacity difference that exists between the source and destination phases. For building the model, the initial step is to set up a mass balance equation for each phase in question that includes fugacities, concentrations, fluxes and amounts. The important values are the proportionality constant, called fugacity capacity expressed as Z-values (SI unit: mol/m3 Pa) for a variety of media, and transport parameters expressed as D-values (SI unit: mol/Pa h) for processes such as advection, reaction and intermedia transport. The Z-values are calculated using the equilibrium partitioning coefficients of the chemicals, Henry's law constant and other related physical-chemical properties. [1] [3]
There are four levels of multimedia fugacity Models applied for prediction of fate and transport of organic chemicals in the multicompartmental environment: [1] [4] [5] [6]
Level I | Closed system in equilibrium | Equilibrium between compartments according to thermodynamics assumed (partition coefficients such as KOW, KAW or KS); transformation and active transport not taken into account |
Level II | Open system in equilibrium | In addition to level I: continuous emissions and transformation (e.g. biodegradation, photolysis) taken into account |
Level III | Open system in steady state | In addition to level II: active transport and compartment-specific emissions taken into account |
Level IV | Open system, non steady state | In addition to level III: dynamics of emissions and resulting temporal concentration course taken into account |
Depending on the number of phases and complexity of processes different level models are applied. Many of the models apply to steady-state conditions and can be reformulated to describe time-varying conditions by using differential equations. The concept has been used to assess the relative propensity for chemicals to transform from temperate zones and “condense out” at the polar regions. The multicompartmental approach has been applied to the “quantitative water air sediment interaction" or "QWASI" model designed to assist in understanding chemical fate in lakes. [7] Another application found in POPCYCLING-BALTIC model, which is describing fate of persistent organic pollutants in Baltic region. [8]
Fenitrothion is a phosphorothioate (organophosphate) insecticide that is inexpensive and widely used worldwide. Trade names include Sumithion, a 94.2% solution of fenitrothion.
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In chemical thermodynamics, the fugacity of a real gas is an effective partial pressure which replaces the mechanical partial pressure in an accurate computation of the chemical equilibrium constant. It is equal to the pressure of an ideal gas which has the same temperature and molar Gibbs free energy as the real gas.
Persistent organic pollutants (POPs), sometimes known as "forever chemicals", are organic compounds that are resistant to environmental degradation through chemical, biological, and photolytic processes. They are toxic chemicals that adversely affect human health and the environment around the world. Because they can be transported by wind and water, most POPs generated in one country can and do affect people and wildlife far from where they are used and released. The effect of POPs on human and environmental health was discussed, with intention to eliminate or severely restrict their production, by the international community at the Stockholm Convention on Persistent Organic Pollutants in 2001. The United States has taken strong domestic action to reduce emissions of POPs. For example, none of the original POPs pesticides listed in the Stockholm Convention are registered for sale and distribution in the United States today. In 1978, Congress prohibited the manufacture of polychlorinated biphenyl (PCB) and severely restricted the use of remaining PCB stocks. Since 1987, the Environmental Protection Agency and states have effectively reduced environmental releases of dioxins and furans to land, air, and water from U.S. sources.
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Donald Mackay, is a Canadian scientist and engineer specializing in environmental chemistry.
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The fugacity capacity constant (Z) is used to help describe the concentration of a chemical in a system. Hemond and Hechner-Levy (2000) describe how to utilize the fugacity capacity to calculate the concentration of a chemical in a system. Depending on the chemical, fugacity capacity varies. The concentration in media 'm' equals the fugacity capacity in media 'm' multiplied by the fugacity of the chemical. For a chemical system at equilibrium, the fugacity of the chemical will be the same in each media/phase/compartment. Therefore equilibrium is sometimes called "equifugacity" in the context of these calculations.
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The mercury cycle is a biogeochemical cycle influenced by natural and anthropogenic processes that transform mercury through multiple chemical forms and environments.
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