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Transfer of a pollutant molecule through a water film on a single crystal surface (1999)

Marmier, A. ; Hoang, P. N. M. ; Girardet, C.

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 111 (1999), S. 4862-4864

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: We study the transfer of a CO2 molecule from the gas phase through a thin liquid water film supported on ionic single crystal surfaces NaCl and MgO (001). The free energy profile for the CO2 is calculated at 300 K using constrained molecular-dynamics simulation, and the detailed analysis of the competition between interaction and entropic contributions can help to the understanding of the pollution kinetic process of a water covered solid surface. It is shown that the CO2 solvation and its adsorption directly on the solid surface is easier for a NaCl supported film than for a MgO one. © 1999 American Institute of Physics.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.479745

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