Fine-particle water and pH in the southeastern United States
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We study the reactivity and the energy level associated with the reduction of the H2O+ radical cation in liquid water by combining ab initio molecular dynamics simulations at the hybrid functional level, a grand-canonical formulation of solutes in aqueous ...
Organic compounds and liquid water are major aerosol constituents in the southeast United States (SE US). Water associated with inorganic constituents (inorganic water) can contribute to the partitioning medium for organic aerosol when relative humidities ...
Copernicus GmbH2017
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Organic tracer-based positive matrix factorization (PMF) was used to apportion fine particulate (PM2.5) organic carbon (OC) to its sources in Centreville, AL, USA, a rural forested site influenced by anthropogenic emissions, during the Southern Oxidant and ...
Chaotropes such as urea can break the structure of water, weakening the hydrophobic effect and reducing aggregation. Here, we investigated how the addition of urea affects the transfer of ions and cationic dyes across the interface between immiscible elect ...
2018
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pH is a fundamental aerosol property that affects ambient particle concentration and composition, linking pH to all aerosol environmental impacts. Here, PM1 and PM2.5 pH are calculated based on data from measurements during the California Research at the N ...
High levels of ammonia (NH3) have been suggested to elevate ambient particle pH levels to near neutral acidity (pH = 7), a condition that promotes rapid SO2 oxidation by NO2 to form aerosol sulfate concentration consistent with "London fog" levels. This po ...
Acidity (pH) plays a key role in the physical and chemical behavior of PM2.5. However, understanding of how specific PM sources impact aerosol pH is rarely considered. Performing source apportionment of PM2.5 allows a unique link of sources pH of aerosol f ...
Soluble transition metals in particulate matter (PM) can generate reactive oxygen species in vivo by redox cycling, leading to oxidative stress and adverse health effects. Most metals, such as those from roadway traffic, are emitted in an insoluble form, b ...
American Chemical Society2017
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Partial molar volumes of ions in water solution are calculated through pressures obtained from ab initio molecular dynamics simulations. The correct definition of pressure in charged systems subject to periodic boundary conditions requires access to the va ...
Amer Chemical Soc2017
Brown carbon (BrC) consists of those organic compounds in atmospheric aerosols that absorb solar radiation and may play an important role in planetary radiative forcing and climate. However, little is known about the production and loss mechanisms of BrC i ...
