Evaporation and condensation at a liquid methanol surface

Mitsuhiro Matsumoto, Kenji Yasuoka, Yosuke Kataoka

Research output: Contribution to journalArticle

Abstract

The dynamics of evaporation and condensation at a flat liquid surface of methanol were studied under the liquid-vapor equilibrium condition at room temperature with molecular dynamics computer simulation techniques. Analysis of molecular trajectories shows that the condensation coefficient is 89%. It suggests that only a tenth of incident vapor molecules are reflected at the liquid surface, contrary to a prediction of a classical transition state theory. To investigate the potential barrier of the evaporation-condensation process, a particle insertion method was applied and the local chemical potential near the surface was evaluated. The calculated chemical potential is constant in the whole region including the surface layer and no potential barrier is observed in the vincinity of the surface, which casts strong doubt on the explanation of a transition state theory.

Original languageEnglish
Pages (from-to)161-168
Number of pages8
JournalJournal of Molecular Structure: THEOCHEM
Volume310
DOIs
Publication statusPublished - 1994
Externally publishedYes

Fingerprint

Molecular Computers
Molecular Dynamics Simulation
Computer Simulation
Methanol
Condensation
Evaporation
methyl alcohol
condensation
evaporation
Temperature
liquid surfaces
Liquids
liquids
Chemical potential
molecular trajectories
liquid-vapor equilibrium
casts
insertion
surface layers
computerized simulation

ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this

Evaporation and condensation at a liquid methanol surface. / Matsumoto, Mitsuhiro; Yasuoka, Kenji; Kataoka, Yosuke.

In: Journal of Molecular Structure: THEOCHEM, Vol. 310, 1994, p. 161-168.

Research output: Contribution to journalArticle

Matsumoto, Mitsuhiro ; Yasuoka, Kenji ; Kataoka, Yosuke. / Evaporation and condensation at a liquid methanol surface. In: Journal of Molecular Structure: THEOCHEM. 1994 ; Vol. 310. pp. 161-168.
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