Співвідношення "структура – активність" для взаємодії летких домішок з компонентами атмосферних аерозолів
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 uptak...
Збережено в:
| Дата: | 2011 |
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| Автори: | , |
| Формат: | Стаття |
| Мова: | Російська |
| Опубліковано: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2011
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| Онлайн доступ: | https://www.cpts.com.ua/index.php/cpts/article/view/84 |
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| Назва журналу: | Chemistry, Physics and Technology of Surface |
Репозитарії
Chemistry, Physics and Technology of Surface| Резюме: | 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, g, as the index of global electrophilicity for the impurity, w, grows. On the other hand, the g values grow as the w values calculated for the components of mineral aerosol surfaces are dropped. The obtained dependencies between g and w are related to the effect of w index for reactants on the intrinsic barrier of transformations. |
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