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Partitioning Of Volatile Organic Chemicals Between Air And Airborne Particulate

Posted on:2006-05-21Degree:MasterType:Thesis
Country:ChinaCandidate:C SunFull Text:PDF
GTID:2121360155961657Subject:Environmental Engineering
Abstract/Summary:PDF Full Text Request
Following predecessors' work, the partitioning processes of 24 organic compounds between air and the talcum powder were studied by experiment. The influence of some factors on the partitioning were researched, such as the quantity of the organic compounds in air and particulate, the quantity of the talcum powder, the time of balance. The balance mechanism and the partitioning coefficients(K) were ascertained by analyzing the concentration of the organic compounds between air and the talcum powder.A new quantitative structure property relationship(QSPR) model was developed to predict the partitioning of some organic compounds between the inorganic particulate and air based on theoretical linear salvation energy relationship(TLSER) and quantum chemical descriptors computed by MOPAC software.XYZ = XYZ0 +ma + sμ + a1ELUMO + a2qH+ + b1EHOMO + b2QmaxXYZ0 is constant.The model took all outfield electrons of compounds in account...
Keywords/Search Tags:volatile organic compounds, QSPR, partitioning, quantum chemical descriptor
PDF Full Text Request
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