TITLE

Evaporation and condensation at a liquid surface. I. Argon

AUTHOR(S)
Yasuoka, Kenji; Matsumoto, Mitsuhiro; Kataoka, Yosuke
PUB. DATE
November 1994
SOURCE
Journal of Chemical Physics;11/1/1994, Vol. 101 Issue 9, p7904
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Molecular dynamics computer simulations were carried out to investigate the dynamics of evaporation and condensation for argon at the temperature of 80 and 100 K. From the decrease of the survival probability of vapor molecules, the ratio of self reflection to collision is estimated to be 12%–15%, only weakly dependent on the temperature. This suggests that argon vapor molecules are in the condition of almost complete capture, and the condensation is considered to be a barrierless process. The total ratio of reflection which is evaluated with the flux correlation of condensation and evaporation is 20% at both temperature. The difference between these two ratios of reflection is ascribed to a phenomenon that vapor molecules colliding with the surface drive out other liquid molecules. This molecule exchange at the surface is as important as the self-reflection, and the conventional picture of condensation as a unimolecular chemical reaction is not appropriate.
ACCESSION #
7619766

 

Related Articles

  • Trajectory NG: portable, compressed, general molecular dynamics trajectories. Spångberg, Daniel; Larsson, Daniel; Spoel, David // Journal of Molecular Modeling;Oct2011, Vol. 17 Issue 10, p2669 

    We present general algorithms for the compression of molecular dynamics trajectories. The standard ways to store MD trajectories as text or as raw binary floating point numbers result in very large files when efficient simulation programs are used on supercomputers. Our algorithms are based on...

  • Visualization of collective vortex-like motions in a computer model of liquid argon. Anikeenko, A.; Malenkov, G.; Naberukhin, Yu. // Journal of Structural Chemistry;Dec2016, Vol. 57 Issue 8, p1660 

    Visualization pictures of collective motion of particles are presented, showing the existence of mesoscopic (of the order of tens of angstroms) vortex-like motions at time intervals of at least hundreds of picoseconds in molecular dynamics models of liquid argon.

  • Aneesur Rahman. Sen, Kalidas; Sastry, Srikanth // Resonance: Journal of Science Education;Aug2014, Vol. 19 Issue 8, p671 

    Aneesur Rahman made seminal contributions to computational physics, the forerunner of the widespread application today of computation in the study of physical, chemical and biological phenomena. This year marks the 50th anniversary of his paper in 1964, which heralded the use of the molecular...

  • Development of an interactive molecular dynamics simulation software package. Knoll, P.; Mirzaei, S. // Review of Scientific Instruments;Apr2003, Vol. 74 Issue 4, p2483 

    Computer experiments play a significant role in science today. Molecular dynamic (MD) simulations are extremely powerful tools not only to understand and interpret the experiments at the microscopic level, but also to study regions that are not accessible experimentally. In the last few years...

  • A molecular dynamics study of freezing in a confined geometry. Ma, Wen-Jong; Banavar, Jayanth R.; Koplik, Joel // Journal of Chemical Physics;7/1/1992, Vol. 97 Issue 1, p485 

    The dynamics of freezing of a Lennard-Jones liquid in narrow channels bounded by molecular walls is studied by computer simulation. We quantify the time development of ordering and observe a novel freezing mechanism. The liquid forms layers and subsequent in-plane ordering within a layer is...

  • A structural analysis of the vitreous silica surface via a molecular dynamics computer simulation. Levine, S. M.; Garofalini, S. H. // Journal of Chemical Physics;3/1/1987, Vol. 86 Issue 5, p2997 

    Molecular dynamics computer simulations were used to study surfaces of pure silica glass. The potentials used here were those previously established to model bulk silica and have been extended to study surface relaxation in a perfect vacuum. A large number of surfaces were made using different...

  • Fluctuations and correlations in molecular dynamics calculations at the coexistence of two phases. Morales, Juan J.; Cuadros, Francisco; Rull, Luis F. // Journal of Chemical Physics;3/1/1987, Vol. 86 Issue 5, p2960 

    Using long run computer simulations of molecular dynamics (E,V,N) the fluctuations of a two-dimensional system were studied in the melting zone. The system formed by the coexistence of two phases was obtained by rescaling two systems, one from the solid region and the other from the liquid...

  • Structural differences and phase separation in alkali silicate glasses. Huang, Chengde; Cormack, A. N. // Journal of Chemical Physics;9/1/1991, Vol. 95 Issue 5, p3634 

    Reasonable and significant structural differences between potassium silicate glass and sodium silicate glass can be revealed by molecular dynamics computer simulations.The differences in their immiscibility behavior reflect these structural differences. The simulation results are consistent with...

  • Dynamics of molecules with internal degrees of freedom by multiple time-step methods. Watanabe, Masakatsu; Karplus, Martin // Journal of Chemical Physics;11/15/1993, Vol. 99 Issue 10, p8063 

    In molecular dynamics simulations of flexible molecules, the treatment of motions that take place on different time scales (e.g., bond stretching and bond angle bending vs dihedral angle librations and overall translation and rotation) or of forces that vary differently with distance (e.g.,...

Share

Read the Article

Courtesy of VIRGINIA BEACH PUBLIC LIBRARY AND SYSTEM

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics