With the goal of understanding global chemical processes,environmental chemists have some of the mostcomplex sample analysis problems.Multivariate calibration is a tool that can be applied successfully inmany situations where traditional univariate analyses cannot.The purpose of this paper is to reviewmultivariate calibration,with an emphasis being placed on the developments in recent years.The inverseand classical models are discussed briefly,with the main emphasis on the biased calibration methods.Principal component regression(PCR)and partial least squares(PLS)are discussed,along with methodsfor quantitative and qualitative validation of the calibration models.Non-linear PCR,non-linear PLSand locally weighted regression are presented as calibration methods for non-linear data.Finally,calibration techniques using a matrix of data per sample(second-order calibration)are discussed briefly. 相似文献
Ratio measurements are commonly used to address a variety of analytical problems in environmental,forensic and pharmaceutical laboratories.In absorbance ratioing techniques,analytical chemists rely onthe spectral features of the analyte(s)of interest.The absorbances at two wavelengths are monitored andthe ratio of these two absorbances is computed.This ratio is then used to confirm the identity of theanalyte(s)of interest,the purity of a product or the overlap of chromatographic peaks.These decisionsoften have far-reaching consequences(e.g.the identification of the source,biogenic or petrogenic,ofhydrocarbons in biological tissues or water).Given the cost and the liabilities associated with suchdecisions,it is unfortunate that these ratios are seldom reported with any statistical confidence.Thepurpose of this study is to delineate the parameters that affect absorbance ratio measurements.Themodels that can be used to estimate the statistical confidence in these measurements are derived andevaluated experimentally.The results show that these models can estimate the relative standard deviationsin absorbance ratios accurately.They can also estimate the effect of signal-to-noise ratio and the choiceof wavelengths on the precision of absorbance ratios. 相似文献
Calibration of ground water transport models is often performed using results of field tracer experiments. However, little attention is usually paid to the influence, on resulting breakthrough curves, of injection conditions and well-aquifer interactions, more particularly of the influence of the possible trapping of the tracer in the injection wellbore. Recently, a new mathematical and numerical approach has been developed to model injection conditions and well-aquifer interactions in a very accurate way. Using an analytical solution derived from this model, a detailed analysis is made of the evolution of the tracer input function in the aquifer. By varying injection conditions from one simulation to another, synthetic breakthrough curves are generated with the SUFT3D ground water flow and transport finite-element simulator. These tests show clearly that the shape of the breakthrough curves can be dramatically affected by injection conditions. Using generated breakthrough curves as "actual" field results, a calibration of hydrodispersive parameters is performed, neglecting the influence of injection conditions. This shows that neglecting the influence of actual injection conditions can lead to (1) errors on fitted parameters and (2) misleading identification of the active transport processes. Conclusions and guidelines are drawn in terms of proposed methodologies for better controlling the tracer injection in the field, in order to minimize risk of misinterpretation of results. 相似文献
The 1998 project ECOPORT, “Towards A Sustainable Transport Network”, developed by the Valencia Port Authority (VPA), established the bases for implementing an Environmental Management System (EMS) in industrial harbours. The use of data and information shall always be required to develop an efficient EMS. The objective of the present research (INDAPORT) study is to propose a system of sustainable environmental management indicators to be used by any port authorities. All activities performed within a port area are analysed for any potential environmental impacts and risks.
An environmental analysis of port activities has been carried out with the objective of designing the indicators system. Twenty-one corresponding activities have been identified for large industrial ports. Subsequently, the same methodology developed to date will be later applied to other Spanish and European ports. The study has been developed by using an original system and a methodology, which simultaneously use stage diagrams and systemic models (material and energy flow charts). Multi-criteria analysis techniques were used to evaluate potential impacts (identification of factors and evaluation of impacts). 相似文献
Concentrations of trace elements (V, Cr, Mn, Co, Cu, Zn, Ga, Se, Rb, Sr, Mo, Ag, Cd, Sn, Sb, Cs, Ba, Hg, Tl, Pb and Bi) were determined in muscle and liver of 12 species of marine fish collected from coastal areas in Malaysia. Levels of V, Cr, Mn, Co, Cu, Zn, Ga, Sr, Mo, Ag, Cd, Sn, Ba and Pb in liver were higher than those in muscle, whereas Rb and Cs concentrations showed the opposite trend. Positive correlations between concentrations in liver and muscle were observed for all the trace elements except Cu and Sn. Copper, Zn, Se, Ag, Cd, Cs and Hg concentrations in bigeye scads from the east coast of the Peninsular Malaysia were higher than those from the west, whereas V showed the opposite trend. The high concentration of V in the west coast might indicate oil contamination in the Strait of Malacca. To evaluate the health risk to Malaysian population through consumption of fish, intake rates of trace elements were estimated on the basis of the concentrations of trace elements in muscle of fish and daily fish consumption. Some specimens of the marine fish had Hg levels higher than the guideline value by US Environmental Protection Agency (EPA), indicating that consumption of these fish at the present rate may be hazardous to Malaysian people. To our knowledge, this is the first study on multielemental accumulation in marine fish from the Malaysian coast. 相似文献