불특정 오염부지에 대한 잠재적 오염물질 선정 및물리·화학적 특성 정보화 (Identification of Workflow for Potential Contaminants and their Physicochemical Properties)

서지정보

· 발행기관 : 한국지하수토양환경학회
· 수록지 정보 : 지하수토양환경 / 24권 / 2호 / 8 ~ 22페이지
· 저자명 : 김윤지, 김연태, 한원식, 이승학, 정성욱

초록

Among numerous chemicals used globally, the number of emerging contaminants is increasing. Numerical modeling forcontaminant fate and transport in the subsurface is critical to evaluate environmental and health risk. In general, suchmodels require physicochemical properties of contaminants as input values, which can be found in numerous chemicaldatabases (DB). However, there exist lack of information specific to recently emerging contaminants, which requiresestimation of physicochemical properties using regression programs. The purpose of the study is to introduce theworkflow for identifying physicochemical properties of potential contaminants utilizing numerous chemical DBs, whichfrequently lists up potential contaminants for estimating chemical behavior. In this review paper, details of severalchemical DBs such as KISChem, TOXNET, etc. and regression programs including EPI SuiteTM, ChemAxon, etc. weresummarized and also benefit of using such DBs were explained. Finally, a few examples were introduced to estimatepredominant phase, removal ratio, partitioning, and eco-toxicities by searching or regressing physicochemical properties.

영어초록

Among numerous chemicals used globally, the number of emerging contaminants is increasing. Numerical modeling forcontaminant fate and transport in the subsurface is critical to evaluate environmental and health risk. In general, suchmodels require physicochemical properties of contaminants as input values, which can be found in numerous chemicaldatabases (DB). However, there exist lack of information specific to recently emerging contaminants, which requiresestimation of physicochemical properties using regression programs. The purpose of the study is to introduce theworkflow for identifying physicochemical properties of potential contaminants utilizing numerous chemical DBs, whichfrequently lists up potential contaminants for estimating chemical behavior. In this review paper, details of severalchemical DBs such as KISChem, TOXNET, etc. and regression programs including EPI SuiteTM, ChemAxon, etc. weresummarized and also benefit of using such DBs were explained. Finally, a few examples were introduced to estimatepredominant phase, removal ratio, partitioning, and eco-toxicities by searching or regressing physicochemical properties.

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