Anderson, K E; Siepmann , J I; McMurry, P H; VandeVondele, J (2008). Importance of the number of acid molecules and the strength of the base for double-ion formation in (H2SO4)m x base x (H2O)6 clusters. Journal of the American Chemical Society, 130(43):14144-14147.
Full text not available from this repository.
View at publisher
Sulfuric acid and water clusters are important for new particle formation in the atmosphere. Recent experimental studies demonstrate that critical clusters in diverse atmospheric environments contain two acid molecules and may also include additional N-containing molecules (i.e., a base). We use first-principles molecular dynamics simulations to show that the presence of two sulfuric acid molecules in (H2SO4)(m)center dot base center dot(H2O)(6) clusters is always sufficient to form a double ion, whereas a single acid molecule, even in the presence of a base, is not.
|Item Type:||Journal Article, refereed, original work|
|Communities & Collections:||07 Faculty of Science > Department of Chemistry|
|Dewey Decimal Classification:||540 Chemistry|
|Deposited On:||05 Jan 2009 12:54|
|Last Modified:||05 Jun 2014 13:50|
|Publisher:||American Chemical Society|
Users (please log in): suggest update or correction for this item
Repository Staff Only: item control page