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Determination of surface tension in binary mixtures using transition-matrix Monte Carlo
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10.1063/1.2159472
/content/aip/journal/jcp/124/2/10.1063/1.2159472
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/2/10.1063/1.2159472

Figures

Image of FIG. 1.
FIG. 1.

Phase coexistence data for mixture I in the plane. The compositions of the coexisting vapor and liquid obtained by M-TMMC (solid curve) are compared with simulation results obtained by Mecke et al. (Ref. 6) (circles) and Vrabec and Fischer (Ref. 54) (squares) and experimental data of Calado and Staveley (Ref. 58) (triangles).

Image of FIG. 2.
FIG. 2.

Apparent surface-tension scaling for mixture I at five arbitrarily chosen saturation points. The arrow indicates the direction of increasing argon composition. Error bars have also been included.

Image of FIG. 3.
FIG. 3.

Surface tension for mixture I determined by the combination M-TMMC and finite-size scaling (solid curve). The squares are surface-tension results of Mecke et al. (Ref. 6) obtained by direct interfacial simulations. For point of reference, the uncertainty in the calculated surface tension at has been marked accordingly.

Image of FIG. 4.
FIG. 4.

Fluid-phase diagram for mixture II, intended to model argon-krypton, in the pressure composition plane obtained by M-TMMC. The points are the experimental data for an argon-krypton mixture (Ref. 59).

Image of FIG. 5.
FIG. 5.

Surface-tension curve for mixture II obtained by the combination of M-TMMC and finite-size scaling. The points correspond to the experimental surface-tension values for the argon-krypton mixture (Ref. 59). Experimental uncertainties have also been included. For point of reference, the uncertainty in the calculated surface tension at has been marked accordingly.

Image of FIG. 6.
FIG. 6.

Fluid-phase diagram for mixture III in the pressure-composition plane. The solid curves are the results generated by M-TMMC using a system size of box length , circles are Gibbs-ensemble results generated by Panagiotopoulos et al. (Ref. 55), and squares are Gibbs-Duhem integration results generated by Mehta and Kofke (Ref. 56).

Image of FIG. 7.
FIG. 7.

Surface-tension curve for mixture III plotted against the composition of the saturated liquid. For point of reference, the uncertainty in the calculated surface tension at has been marked accordingly.

Tables

Generic image for table
Table I.

Binary Lennard-Jones parameters.

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/content/aip/journal/jcp/124/2/10.1063/1.2159472
2006-01-12
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Determination of surface tension in binary mixtures using transition-matrix Monte Carlo
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/2/10.1063/1.2159472
10.1063/1.2159472
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