Qualitative Approaches

Two-process model with surface nucleation and isotropic growth 10.5.1. Qualitative approach 

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The first empirical and qualitative approach to the electronic structure of thiazole appeared in 1931 in a paper entitled Aspects of the chemistry of the thiazole group (115). In this historical review. Hunter showed the technical importance of the group, especially of the benzothiazole derivatives, and correlated the observed reactivity with the mobility of the electronic system. In 1943, Jensen et al. (116) explained the low value observed for the dipole moment of thiazole (1.64D in benzene) by the small contribution of the polar-limiting structures and thus by an essentially dienic character of the v system of thiazole. The first theoretical calculation of the electronic structure of thiazole. benzothiazole, and their methyl derivatives was performed by Pullman and Metzger using the Huckel method (5, 6, 8). 

Why perform QRA There may be many reasons, but the following are two of the more prevalent ones. First, you choose to use QRA because you believe you will gain a better understanding of risk that will aid decision making. Qualitative approaches may have been tried and found inadequate for the particular application. And sometimes QRA may be the only way of obtaining a sufficient understanding of risk. 

Step f considers all of the background information discussed in Section 2.f. If the information requirement is based on a regulatory concern or a special purpose need, then Steps 2 through 5 are bypassed and a QRA should be performed. If the information is needed for decision making, you must determine whether the significance of the decision warrants the expense of a QRA. If not, you may be able to use less resource-intensive qualitative approaches to satisfy your information requirements. Table 8 contains examples of typical conclusions reached from qualitative risk analysis results. 

Using QRA in situations where qualitative approaches would suffice... 

In the past, qualitative approaches for hazard evaluation and risk analysis have been able to satisfy the majority of decision makers needs. In the future, there will be an increasing motivation to use QRA. For the special situations that appear to demand quantitative support for safety-related decisions, QRA can be effective in increasing the manager s understanding of the level of risk associated with a company activity. Whenever possible, decision makers should design QRA studies to produce relative results that support their information requirements. QRA studies used in this way are not subject to nearly as many of the numbers problems and limitations to which absolute risk studies are subject, and the results are less likely to be misused. 

A more complete analysis of interacting molecules would examine all of the involved MOs in a similar wty. A correlation diagram would be constructed to determine which reactant orbital is transformed into wfiich product orbital. Reactions which permit smooth transformation of the reactant orbitals to product orbitals without intervention of high-energy transition states or intermediates can be identified in this way. If no such transformation is possible, a much higher activation energy is likely since the absence of a smooth transformation implies that bonds must be broken before they can be reformed. This treatment is more complete than the frontier orbital treatment because it focuses attention not only on the reactants but also on the products. We will describe this method of analysis in more detail in Chapter 11. The qualitative approach that has been described here is a useful and simple wty to apply MO theory to reactivity problems, and we will employ it in subsequent chapters to problems in reactivity that are best described in MO terms. I... 

Numerous qualitative approaches to risk assessment have been employed. Some sample categorizations follow. Health risks may be divided into risk levels as provided below ... 

Qualitative approaches to risk assessment have been employed in order to best characterize healtli risks. 

Another qualitative approach to recognizing imd identifying possible hazards that may cause problems is a hazard and operability study (HAZOP). By identifying the goals of the study and by using guide words, a comprehensive report on the safety of a system can be created. 

Mechanistic Approaches. Adequate and appropriate river-quality assessment must provide predictive information on the possible consequences of water and land development. This requires an understanding of the relevant cause and effect relationships and suitable data to develop predictive models for basin management. This understanding may be achieved through qualitative, semi-quantitative or quantitative approaches. When quantitative or semi-quantitative methods are not available the qualitative approach must be applied. Qualitative assessments involve knowledge of how basin activities may affect river quality. This requires the use of various descriptive methods. An example of this kind of assessment is laboratory evaluation of the extent to which increases in plant nutrients, temperature or flow may lead to accelerated eutrophication with consequent reduction of water quality. 

The following chapter is a case study of how the three problem areas illustrated (dissolved oxygen depletion, erosion/deposition, and potentially toxic trace elements) may be successfully addressed on a major river system using quantitative, semi-quantitative and qualitative approaches respectively. 

Potentially Toxic Trace Elements - A Qualitative Approach... 

In contrast to traditional ambient fixed station "parametric approaches to river quality evaluation for trends determination and water quality standards attainment, data from the Willamette River, Oregon, USA were used to demonstrate the value of quantitative, semi-quantitative and qualitative approaches to mechanistic assessment of river water quality. 

In this section, rather than give a detailed account of theories of the liquid state, a more qualitative approach is adopted. What follows includes first a description of the structure of ice then from that starting-point, ideas concerning the structure of liquid water are explained. 

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