期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 13, 期 25, 页码 11846-11857出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1cp20444k
关键词
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资金
- Laboratory Directed Research and Development
- National Aeronautics and Space Administration [NNG06GE89G, NNG06GI51G]
- US-NSF [CHE-0431312]
- Czech Ministry of Education [LC512, LC06010, ME09062]
- Academy of Sciences
- Czech Science Foundation [AV0Z60870520]
- US Department of Energy's (DOE) office of Biological and Environmental Research (OBER)
- DOE OBER
- US Department of Energy
- Battelle Memorial Institute [DE-AC06-76RL0 1830]
- Office of Science, Office of Basic Energy Sciences, of DOE [DE-AC02-05CH11231]
- Division Of Chemistry [0909227] Funding Source: National Science Foundation
Internal structures, hygroscopic properties and heterogeneous reactivity of mixed CH3SO3Na/NaCl particles were investigated using a combination of computer modeling and experimental approaches. Surfactant properties of CH3SO3- ions and their surface accumulation in wet, deliquesced particles were assessed using molecular dynamics (MD) simulations and surface tension measurements. Internal structures of dry CH3SO3Na/NaCl particles were investigated using scanning electron microscopy (SEM) assisted with X-ray microanalysis mapping, and time-of-flight secondary ion mass spectrometry (TOF-SIMS). The combination of these techniques shows that dry CH3SO3Na/NaCl particles are composed of a NaCl core surrounded by a CH3SO3Na shell. Hygroscopic growth, deliquescence and efflorescence phase transitions of mixed CH3SO3Na/NaCl particles were determined and compared to those of pure NaCl particles. These results indicate that particles undergo a two step deliquescence transition: first at similar to 69% relative humidity (RH) the CH3SO3Na shell takes up water, and then at similar to 75% RH the NaCl core deliquesces. Reactive uptake coefficients for the particle-HNO3 heterogeneous reaction were determined at different CH3SO3Na/NaCl mixing ratios and RH. The net reaction probability decreased notably with increasing CH3SO3Na and at lower RH.
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