Interactions of Atmospheric Trace Gases with Ice Surfaces:  Adsorption and Reaction

Abbatt, Jonathan P. D.

doi:10.1021/cr0206418

Cited by 259 publications

(321 citation statements)

References 169 publications

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“…11 Gas/ice interactions also possibly participate in scavenging of atmospheric pollutant molecules by falling snow. 12 Amine molecules are common atmospheric species, emitted as gases from a variety of sources.…”

Section: Introductionmentioning

confidence: 99%

Adsorption of Methylamine at the Surface of Ice. A Grand Canonical Monte Carlo Simulation Study

et al. 2016

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Abstract:A series of 41 Monte Carlo simulations are performed in the grand canonical ensemble at 200 K to determine the adsorption isotherm and study in detail the adsorption of methylamine at the surface of I h ice. The adsorption isotherm exhibits a plateau, corresponding to the saturated adsorption monolayer, in a broad range of chemical potentials and pressures.However, even this part of the adsorption isotherm deviates noticeably from the Langmuir shape. Shortly before condensation of methylamine occurs outer molecular layers also start building up. The remarkable stability of the adsorption monolayer is caused by the interplay of hydrogen bonding interaction between the adsorbed methylamine and surface water molecules and dipolar interaction between neighboring adsorbed methylamines. As a consequence, the adsorbed methylamine molecules exhibit a rich orientational distribution relative to the ice surface and the adsorption is accompanied by rather large energy variations.3

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Section: Introductionmentioning

confidence: 99%

Adsorption of Methylamine at the Surface of Ice. A Grand Canonical Monte Carlo Simulation Study

et al. 2016

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“…2 In addition, these interactions play a key role in possible scavenging of organic compounds, and, more generally, atmospheric pollutant molecules by falling snow. 3 Moreover, recent evidence has also shown that sequestration of persistent organic pollutants in all snow-covered regions of the globe can have a significant influence on the overlying atmosphere.…”

Section: Introductionmentioning

confidence: 99%

Adsorption of Methylene Fluoride and Methylene Chloride at the Surface of Ice under Tropospheric Conditions: A Grand Canonical Monte Carlo Simulation Study

Sumi¹,

Picaud

Jedlovszky

2015

J. Phys. Chem. C

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Abstract:The adsorption of two halogenated methane derivatives, namely methylene fluoride and methylene chloride at the surface of I h ice is studied by grand canonical Monte Carlo simulations under tropospheric conditions. The adsorption isotherms of the two molecules, differing only in the halogen atom type, are found to be markedly different from each other.Thus, while methylene fluoride exhibits multilayer adsorption, and its adsorption isotherm belongs to class II according to the IUPAC convention, methylene chloride does not show considerable adsorption at the ice surface, as its condensation well precedes the saturation of even the first adsorbed molecular layer. Interestingly, both the surface orientation and the binding energy of the two types of adsorbed molecules are rather similar to each other; first layer molecules form one single hydrogen bond with the dangling OH groups of the ice surface. The strong differences in the adsorption behavior of methylene fluoride and methylene chloride are traced back to the different cohesion in the liquid phase, and hence to the strongly different boiling point of the two molecules.4

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“…The interactions of atmospheric trace gases with ice surfaces is being investigated extensively. 1 Detailed studies have been performed on acidice systems. The adsorbed species of mineral acids such as HCl and HNO 3 will be converted to highly reactive species such as HOCl or ClONO 2 on the surface of ice.…”

Section: Introductionmentioning

confidence: 99%

Interaction of Carboxylic Acids and Water Ice Probed by Argon Ion Induced Chemical Sputtering

Cyriac

Pradeep

2008

J. Phys. Chem. C

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In this paper, we investigated the interaction of simple carboxylic acids, formic acid (FA), acetic acid (AA), and propionic acid (PA) with thin layers of water ice in the temperature range of 110-190 K in ultrahigh vacuum. The focus, however, is on the AA-ice system. Molecularly thin layers of these systems were prepared on a pre-cooled polycrystalline copper substrate. The interactions and phase changes in the system were monitored with chemical sputtering using low-energy (e30 eV) Ar + , which probes the topmost surface layers. At 110 K, the deposited AA exists as dimers in its amorphous solid form. At the same temperature, in the presence of water ice, this dimeric form gets converted to chainlike oligomers. Chemical sputtering spectra show distinct features for these two surface species. The data suggest that ion formation reflects the surface structure, implying a unique mechanism for its formation. Detailed studies have been made with amorphous solid water (ASW) and crystalline water (CW) to get a complete understanding of the system. Experiments carried out with AA-D 2 O ice confirmed the proton-transfer mechanism during chemical sputtering. Other studies were conducted with AA-CH 3 OH and AA-CCl 4 systems. Detailed investigations performed to understand the effect of thickness of AA and ice overlayers suggest that the extent of water molecules required to effect the structural transformation in the acid is dependent on the amount of the latter. Dimeric-to-oligomeric transformation does not occur for the PA-ice system. Detection of a structural transition at the very top of ice in molecularly thin films adds additional capabilities to the low-energy ion scattering technique.

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Interactions of Atmospheric Trace Gases with Ice Surfaces: Adsorption and Reaction

Cited by 259 publications

References 169 publications

Adsorption of Methylamine at the Surface of Ice. A Grand Canonical Monte Carlo Simulation Study

Adsorption of Methylamine at the Surface of Ice. A Grand Canonical Monte Carlo Simulation Study

Adsorption of Methylene Fluoride and Methylene Chloride at the Surface of Ice under Tropospheric Conditions: A Grand Canonical Monte Carlo Simulation Study

Interaction of Carboxylic Acids and Water Ice Probed by Argon Ion Induced Chemical Sputtering

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