海表扩散层中气体行为的分子动力学模拟*

doi:10.11978/j.issn.1009-5470.2013.02.009

Abstract

Abstract:

Despite of the many processes that affect gas exchange at the air-sea interface, up to now wind velocity is typically the only factor that is used to estimate gas transfer velocity. On the other hand, it is so hard to directly measure the gas transfer at the air-sea interface. Because of this difficulty, large uncertainties still remain on gas transfer velocity. Using molecular dynamics simulation, the seawater property and the motions of CO₂, O₂, N₂, Ar, and Kr in the diffusive layer beneath the air-sea interface are investigated. Then, their diffusion coefficients at different temperatures are calculated. The detail of CO₂ behaviors is discussed as well. The molecular dynamics simulation will be a new theoretical tool for calculating the gas transfer velocity in the future.

Key words: air-sea interface, molecular diffusion, diffusion coefficient, molecular dynamics simulation

CLC Number:

P732.6

XING Yuan-ming, YANG Lei, GUAN Yu-ping. Molecular dynamics simulation of gas behaviors in seawater diffusive layer beneath the air-sea interface[J].Journal of Tropical Oceanography, 2013, 32(2): 82-87.

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Molecular dynamics simulation of gas behaviors in seawater diffusive layer beneath the air-sea interface

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