• Development of Practical Lumped Contaminant Modeling Approach for Fate and Transport of Complex Organic Mixtures
  • Joo, Jin-Chul;Song, Ho-Myeon;
  • Korea Institute of Construction Technology, Construction Environment Research Division;Korea Institute of Construction Technology, Construction Environment Research Division;
  • 복잡한 혼합 유기오염물의 거동 예측을 위한 실용적인 오염물 집략화 모델링 기법 개발
  • 주진철;송호면;
  • 한국건설기술연구원 건설환경연구실;한국건설기술연구원 건설환경연구실;
Abstract
Both feasibility and accuracy of lumped approach to group 12 organic compounds in mixtures into a fewer number of pseudocompounds in sorption processes were evaluated using mixtures containing organic compounds with various physicochemical properties and low-surface-area mineral sorbents. The lumped approach for sorption to simulated mineral sorbents was developed by cluster analysis from statistics. Using the lumped approach, the sorption estimated from both reduced number of pseudocompounds and their sorption parameters (i.e., $K_f$, n) can approximate sorption behavior of complex organic mixtures. Additionally, the pseudocompounds for various mixtures to different types of low-surface-area mineral sorbents can be estimated a priori from the physicochemical properties of organic compound (i.e., ${\gamma_w}^{sat}$). Therefore, the lumped approach may help to simplify the complex fate and transport model of organic contaminant mixtures, reduce experimental efforts, and yet provide results that are statistically identical for practical purposes. Further research is warranted to enhance the accuracy of lumped approach using the multiple regression analysis considering the H-bonding capacity, site concentrations, functional groups for mineral sorbents.

다양한 물리화학적 특성을 지닌 12개의 유기오염물이 저표면적의 무기물 지반 수착제로 수착 시 12개의 유기오염물을 적은 수의 pseudocompound로 집략화하는 접근법(lumped approach)의 타당성과 정확성을 평가하였다. 집략화 접근법은 복잡한 혼합 유기오염물의 수착 거동을 근거로 통계적인 처리방법인 집략분석(cluster analysis)을 통해 개발되었다. 집략화 접근법을 이용해 수용액상에서 복잡한 혼합 유기오염물이 친수성 무기물로 수착 시 감소된 수의 집략화된 오염물(pseudocompound)과 집략화된 오염물의 수착 매개변수($K_f$, n)를 이용하여 복잡한 혼합 유기오염물의 수착을 설명할 수 있었다. 또한, 실험을 수행하지 않고(a priori) 복잡한 혼합 유기오염물 내 각 유기오염물의 특성(${\gamma_w}^{sat}$)을 근거로 pseudocompound를 예측할 수 있었다. 따라서 집략화 접근법은 복잡한 혼합 유기오염물의 수착거동을 단순화하여 반응관련 매개변수 산출에 필요한 시간과 비용을 감소시켜주고 통계적으로 정확성이 동일한 범위 내의 실용적인 수착 결과를 제공해 줄 수 있다. 향후 더 많은 반응 인자소결합크기, 수착제 내 반응 지점 수 및 반응성 그룹 등)를 고려한 다중회귀분석(multiple regression analysis)을 통해 집략화 접근법(lumped approach)의 정확도를 높일 필요가 있다고 판단된다.

Keywords: Cluster analysis;Complex mixtures;Lumped approach;Mineral sorbent;Pseudocompounds;Sorption;

Keywords: 집략분석;복잡한 혼합 유기오염물;집략화 접근법;무기물 수착제;수착;

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This Article

  • 2009; 14(5): 18-28

    Published on Oct 31, 2009