光譜分析法由於量測快速，在近年來廣被利用在各個領域。其中紫外光/可見光分光度計由於操作簡便，價格亦較為低廉，故使用的範圍更為廣泛。但是由於紫外光/可見光的吸收光譜的譜帶較寬，容易使水樣中吸收峰較接近的成分，產生波形重疊的現象，尤其是像廢水這類成分複雜的水樣較難去定性與定量，因此發展一套可以解析多成分水樣的定性與定量方法，實是為應用在廢水水質監測的重要基礎。 因此本研究主要是針對廢水的可能組成成分，建立基本的光譜資料庫，以資料庫為基礎，發展一套多成分水樣定性與定量的分析演算法，作為發展廢水水質監測系統的基礎。 以多成分水樣定性與定量的分析演算法，去解析含有多種吸收成分的水樣，在定性分析演算方面主要是先推估水樣可能包含的成分，並初步推估濃度，然而因定性分析演算的假設係吸收成分間的干擾不嚴重，故當水樣中含有三種以上的成分時，就必須再利用定量分析演算來計算出合理的濃度。 定量分析演算法可以兩種方式進行，第一種方式為將所有成分的推估濃度規劃求解找出最適值，第二種方式為用實際的吸光度扣除已知濃度的吸光度貢獻後，再逐一解出各個成分的濃度，其結果顯示在含有三種吸收成分的水樣以第一種方式求解出的濃度較接近真實濃度，但在包含四種以上吸收成分的水樣時，兩種方式的解析效果皆不好，推論應是成分之間產生化學反應或是混合之後的物理效應，對吸光度與吸收係數造成干擾。 Spectroscopy which is a fast method had been applied in many field in recent years. Among them, UV/visible spectrophotometer is easy to handle and the price is also comparatively cheap, so it’s become more and more important . But because the UV/visible absorption spectrum is relatively widely, the spectrum will often overlap, especially when the sample is waste water which has complicate composition, it would be difficult to qualitative and quantitative. Therefore, developing a qualitative and quantitative method to analyze samples which have many composition such as waste water , is the important foundation . This research is mainly to set up basic spectrum database and then develop a qualitative and quantitative method using the database. This method has two parts, the one is to qualitative the composition of samples and estimation the concentration approximately, and the other is to quantitative the concentration of samples accurately. To measure the absorption spectrum of samples which have one, two, three and four composition respectively, and to calculate the concentration of composition using the method, which had been developed in this research. The results show that it is useful when the composition of samples is only one, two and three, but it is not to work when the composition of samples is complicated.
