Chemical receptor model

Review of the Chemical Receptor Model of Aerosol Source Apportionment... 

Recent publications (1,4,9,10) have provided extensive reviews of receptor models. The objective of this paper Is to discuss selective aspects of the chemical receptor model. 

The interpretation stage consists of applying one or all of the chemical receptor model approaches to interpreting the chemical data generated. The objective of a source apportionment study is the support of effective control action. The level of confidence required to initiate this action may be established with a single receptor model interpretive approach or it may require information from additional interpretive approaches, wind sector analysis, (, ... 

The chemical receptor model is one of the most precise tools currently available for assessing the Impact of aerosol sources. 

Watson, J. G., Chemical element balance receptor model methodology for assessing the sources of fine and total suspended particulate matter in Portland, Oregon, PhD Thesis, Oregon Graduate Center, Beaverton, Oregon, 1979. 

PLS (partial least squares) multiple regression technique is used to estimate contributions of various polluting sources in ambient aerosol composition. The characteristics and performance of the PLS method are compared to those of chemical mass balance regression model (CMB) and target transformation factor analysis model (TTFA). Results on the Quail Roost Data, a synthetic data set generated as a basis to compare various receptor models, is reported. PLS proves to be especially useful when the elemental compositions of both the polluting sources and the aerosol samples are measured with noise and there is a high correlation in both blocks. 

The basic assumption of these receptor models is that the ambient airborne particle concentrations measured at a receptor can be apportioned between several sources. In other words, each chemical element concentration at the receptor is considered as a linear combination of the mass fraction of the source contributions. 

The two most widespread statistical receptor models in the literature are regression model of chemical mass balance (CMB) and target transformation factor analysis (TTFA) (. ) The questions to be answered by the receptor models are ... 

In this paper the PLS method was introduced as a new tool in calculating statistical receptor models. It was compared with the two most popular methods currently applied to aerosol data Chemical Mass Balance Model and Target Transformation Factor Analysis. The characteristics of the PLS solution were discussed and its advantages over the other methods were pointed out. PLS is especially useful, when both the predictor and response variables are measured with noise and there is high correlation in both blocks. It has been proved in several other chemical applications, that its performance is equal to or better than multiple, stepwise, principal component and ridge regression. Our goal was to create a basis for its environmental chemical application. 

Organic compounds, natural, fossil or anthropogenic, can be used to provide a chemical mass balance for atmospheric particles and a receptor model was developed that relates source contributions to mass concentrations in airborne fine particles. The approach uses organic compound distributions in both source and ambient samples to determine source contributions to the airborne particulate matter. This method was validated for southern California and is being applied in numerous other airsheds. ... 

Extensions of receptor modeling theory to light extinction and to reactive chemical compounds require introduction of rate process concepts. 

Finally, receptor modeling offers a useful theme around which to organize aerosol characterization studies. Large scale field studies are expensive, and they also tend to be diffuse. Data requirements for source resolution can be used to select the chemical and physical properties of the aerosol to be measured both at receptor sites and at sources. 

Watson, J.G., Jr., (1979) "Chemical Element Balance Receptor Model Methodology for Assessing the Sources of Fine and Total Suspended Particulate Matter in Portland, Oregon," Thesis, Ph.D., Department of Chemistry, Oregon Graduate Center, Beaverton, OR. 

A critical requirement for the success of receptor models for atmospheric particles Is that the compositions of particles from all major sources in an area be accurately known. Chemical element balances (CEBs) of 130 samples taken In Washington, D.C. and analyzed for 40 elements yielded nearly the same source strengths when 28 elements are used In the least-squares fit as when only nine carefully chosen elements are used. Certain elements are important to the stability of CEB fits (Na, Ca, V, Mn, As and Pb) and should be measured carefully In particles from sources. For three of the nine elements (Al, Fe and Zn), other elements can serve as surrogates (many lithophlles for Al and Fe, Sb and Cd for Zn). Measurements on many more sources of each Important type should be done In order that trends can be observed that will allow one to predict compositions of particles from unmeasured sources. Instack measurements should Include collections of at least two size fractions of particles plus vapor-phase species. Measurements of at least 20 elements plus some classes of carbonaceous material should be made. 

Because of the uncertainties In the use of source-emissions Inventories to estimate contributions from various sources to ambient levels of suspended particles, many workers have been developing and testing aerosol receptor models (1 ). The basic Idea of receptor models Is that chemical compositions of particles from various types of sources are sufficiently different that one can determine contributions from the sources by making detailed measurements of the compositions of ambient aerosols and of particles from the sources. Several computational methods have been used... 

There are two general types of aerosol source apportionment methods dispersion models and receptor models. Receptor models are divided into microscopic methods and chemical methods. Chemical mass balance, principal component factor analysis, target transformation factor analysis, etc. are all based on the same mathematical model and simply represent different approaches to solution of the fundamental receptor model equation. All require conservation of mass, as well as source composition information for qualitative analysis and a mass balance for a quantitative analysis. Each interpretive approach to the receptor model yields unique information useful in establishing the credibility of a study s final results. Source apportionment sutdies using the receptor model should include interpretation of the chemical data set by both multivariate methods. 

Urban aerosols are complicated systems composed of material from many different sources. Achieving cost-effective air particle reductions in airsheds not meeting national ambient air quality standards requires identification of major aerosol sources and quantitative determination of their contribution to particle concentrations. Quantitative source Impact assesment, however, requires either calculation of a source s impact from fundamental meteorological principles using source oriented dispersion models, or resolving source contributions with receptor models based on the measurement of characteristic chemical and physical aerosol features. Q)... 

It needs to be emphasized at this point that a model is a mathematical representation of the real world. If two models have the same mathematical representation of the real world, they are, in fact, the same model. Chemical mass balance, principal component factor analysis, target transformation factor analysis, etc. have, for all practical purposes. Identical mathematical representations (Equation 1) of the real world and start with the same input data matrices (Figure 4). The principal difference in these "different receptor models is their approach to the solution of either Equation (1) or Equation (2). 

A source apportionment study using the receptor model should include interpretation of the chemical data set by both multivariate and chemical mass balance methods The most critical steps in a receptor model study are the initial review of potential source characteristics and the development of an appropriate study plan. 

Three generic types of receptor model have been identified, chemical mass balance, multivariate, and microscopical identification. Each one has certain requirements for input data to provide a specified output. An approach which combines receptor and source models, source/ receptor model hybridization, has also been proposed, but it needs further study. 

Source-oriented atmospheric dispersion modeling has been the major tool used in attributing ambient concentrations to source emissions. With the development of inexpensive and rapid chemical analysis techniques for dividing ambient and source particulate matter into its components has come another approach, the receptor model. 

In an attempt to provide this focus, forty-seven active receptor model users from government, university, consulting and industry met for 2 1/2 days in February 1980 it. They addressed the models and the information required to use them in six separate task forces 1) Chemical Element Balance Receptor Models, 2) Multivariate Receptor Models, 3) Microscopic Identification Receptor Models, 4) Field Study Design and Data Management, 5) Source Characterization, and 6) Analytical Methods. The objectives of these interrelated task forces were to ... 

Receptor models presently in use can be classified into one of four categories chemical mass balance, multivariate, microscopic, and source/receptor hybrids. Each classification will be treated individually, though it will become apparent that they are closely related. 

The Chemical Mass Balance Receptor Model. Equation 1 which... 

The future development of the chemical mass balance receptor model should include 1) more chemical components measured in different size ranges at both source and receptor 2) study of other mathematical methods of solving the chemical mass balance equations 3) validated and documented computer routines for calculations and error estimates and 4) extension of the chemical mass balance to an "aerosol properties balance" to apportion other aerosol indices such as light extinction. 

While the chemical mass balance receptor model is easily derivable from the source model and the elements of its solution system are fairly easy to present, this is not the case for multivariate receptor models. Watson (9) has carried through the calculations of the source-receptor model relationship for the correlation and principal components models in forty-three equation-laden pages. 

Microscopic Identification Models. Many different optical and chemical properties of single aerosol particles can be measured by microscopic identification and classification in order to distinguish particles originating in one source type from those originating in another. The microscopic analysis receptor model takes the form of the chemical mass balance equations presented in Equation 1. 

The microscopic receptor model can include many more aerosol properties than have been used in the chemical mass balance and multivariate models. The data inputs required for this model are the ambient properties measurements and the source properties measurements. To estimate the confidence Interval of the calculated source contributions the uncertainties of the source and receptor measurements are also required. Microscopists generally agree that a list of likely source contributors, their location with respect to the receptor, and windflow during sampling are helpful in confirming their source assignments. 

Source Characterization. All receptor models, even the source/receptor hybrids, require input data about the particulate matter sources. The multivariate models, which can conceivably be used to better estimate source compositions, require an initial knowledge of the chemical species associations in sources. 

Existing data on characteristics of particles from various types of sources are inadequate for general use, though they have been used in specific studies with some success. Most of the source tests have been made for purposes other than receptor modeling and complete chemical and microscopical analyses have not been performed. Source operating parameters which might affect the aerosol properties of emissions have not been identified nor measured in ambient sampling and no provision is made for likely transformations of the source material when it comes into equilibrium under ambient conditions. 

In-stack testing procedures are still under development with a greater inclination on the part of developers to produce samples of use for receptor modeling. New sampling methods include dilution with clean air to simulate ambient conditions, filter media amenable to chemical analyses, and samples in size ranges similar to those sampled in ambient air. 

Source characterization results are not located in a centralized facility which is constantly updated. The Environmental Protection Agency has established the Environmental Assessment Data System (EADS) (31) which contains chemical compositions of particulate matter emissions tests. This existing computerized structure can provide the centralized location for receptor model source characterization information. Procedures such as those described for ambient data in the previous section need to be developed in order to allow receptor model users access to this data base over telephone lines. The data required of receptor model source tests should be incorporated into the EADS, and source characterization results should report this information in an EADS compatible format. 

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