The radical reaction position was calculated by varying the calculation level for ACEL and ANT, which are detected with the highest frequency and concentration in PAHs pollution sites. The results of each calculation level were compared and evaluated with the existing literature. HF, B3LYP, B3LYP-D, and MP2 were used as the method for each level used for calculation. Except for HF, the MK charge by B3LYP, B3LYP-D, and MP2 was consistent with the experimental results. It was found that the dispersion effect was negligible in the calculation of ACEL and ANT because the calculation results by the B3LYP and B3LYP-D methods were the same. In particular, it was found that the MK charge calculation result by MP2 agrees well with the product/PAH ratio obtained as a result of the experiment. Considering the calculation cost, it would be preferable to use B3LYP to predict the radical reaction site of ACEL and ANT. However, considering the product/PAH ratio, it takes more time to calculate, but it is judged that it is better to use the MP2.

The research develops the calculation steps of Z sigma level, process capability index(PCI) and process performance index(PPI) applicable to the discrete process in the service industry. The paper presents three following topics used related process indexes according to the precision and accuray in the continuous process. The contents include diverse process indexs for nonconformities by SPC attribute control charts and bias coefficient. The same technique of the nonconformites is also used in the nonconforming units. The practical examples are provided to help easier understanding for users.