ISSN : 1225-0112(Print)
ISSN : 2288-4505(Online)
ISSN : 2288-4505(Online)
Research Papers : Comparison of Estimation Methods for Henry`s Law Constant of VOCs
Abstract
The Henry's law constants of some volatile organic compounds, inclusive of aromatics, were measured by equilibrium partitioning in closed system (EPICS) and geadspace gas chromatography (HSGC) methods. Additionally, SAR (structure activity relationship) and PAR (property activity relationship) approaches were introduced to estimate Henry's law constants of VOCs, registered by the Korean Ministry of Environment. As a SAR method, HENRYWIN program that relate group contribution and bond contribution method was used, and the vapor pressure and aqueous solubility ratio were used for PAR method. Henry's law constants of VOCs were estimated using the three methods. The estimated data by above three different methods were compared with literature and our experimental data. The reliability of three estimation methods was also analyzed through the comparison of validity and accuracy of the estimation of data.
연구논문 : 휘발성 유기 화합물의 헨리상수 결정 및 추산 방법 비교
초록
방향족 화합물을 위시한 휘발성 유기화합물질의 헨리상수를 EPICS (equilibrium partitioning closed system)법과 HSGC(head space gas chromatography)법으로 측정하였고, 또한 실험의 한계성에 비추어 구조 활동도 관계(sturcture activity relationship; SAR)접근법과 물성 활동도 관계(property activity relationship; PAR)접근법을 사용하여 환경부에서 고시한 휘발성 유기화합물들의 헨리상수를 추산하여 보았다. SAR방법으로는 그룹 및 bond 기여법을 접목한 HENR-YWIN program을 이용하였으며, PAR방법으로는 물질의 증기압과 용해도의 비를 이용하여 추산하였다. 추산된 헨리상수 값은 EPICS와 HSGC법을 이용하여 직접 측정한 값 및 문헌 값과 함께 비교하여 봄으로써 휘발성 유기물에 대한 이들 추산방법의 신뢰성과 정확성을 검토하였다.