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Start Over Author "Bogillo, V. I." Publisher national academy of sciences of ukraine, chuiko institute of surface chemistry
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1. "Structure - Activity" Relationships for Interaction of Volatile Impurities with Components of Atmospheric Aerosols.

Author

Bogillo, V. I. and Bazylevska, M. S.

Subjects
*ATMOSPHERIC aerosols, *ATMOSPHERIC chemistry, *MOLECULAR structure, *METAL inclusions, *CHEMICAL structure
Abstract

Quantitative "structure - activity" relationships including quantum-chemical descriptors of the molecular structure are found for equilibrium partitioning of volatile impurities between components of the atmospheric aerosols and gas phase. The tendencies are found for increase in the uptake coefficient of the impurities with aerosol components, γ, as the index of global electrophilicity for the impurity, ω, grows. On the other hand, the γ values grow as the ω values calculated for the components of mineral aerosol surfaces are dropped. The obtained dependencies between γ and ω are related to the effect of ω index for reactants on the intrinsic barrier of transformations. [ABSTRACT FROM AUTHOR]

Published
2011

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