TY - JOUR

T1 - Validity of Tolman's equation

T2 - How large should a droplet be?

AU - Koga, K

AU - Zeng, XC

AU - Shchekin, AK

PY - 1998/9/8

Y1 - 1998/9/8

N2 - Surface tension and the length delta (distance between the Gibbs surface of tension R-s and the equimolar surface R-e) of simple liquid droplet (Lennard-Jones and Yukawa) are computed over a wide range of droplet sizes up to about 4 x 10(6) molecules. The study is based on the Gibbs theory of capillarity combined with the density-functional approach to gas-liquid nucleation. Since this method provides behavior of the surface tension fully consistent with the tension of the planner surface, the constant in Tolman's equation delta(infinity) can be determined unequivocally from the asymptotic behavior of sigma(s). Comparison of the tension given by Tolman's equation against the result of exact thermodynamic relations reveals that Tolman's equation is valid only when the droplet holds more than 10(6) molecules for the simple fluid systems near their triple points, in contrast to the conventional wisdom that Tolman's equation may be applicable down to droplets holding a few hundreds of molecules. (C) 1998 American Institute of Physics. [S0021-9606(98)50334-0].

AB - Surface tension and the length delta (distance between the Gibbs surface of tension R-s and the equimolar surface R-e) of simple liquid droplet (Lennard-Jones and Yukawa) are computed over a wide range of droplet sizes up to about 4 x 10(6) molecules. The study is based on the Gibbs theory of capillarity combined with the density-functional approach to gas-liquid nucleation. Since this method provides behavior of the surface tension fully consistent with the tension of the planner surface, the constant in Tolman's equation delta(infinity) can be determined unequivocally from the asymptotic behavior of sigma(s). Comparison of the tension given by Tolman's equation against the result of exact thermodynamic relations reveals that Tolman's equation is valid only when the droplet holds more than 10(6) molecules for the simple fluid systems near their triple points, in contrast to the conventional wisdom that Tolman's equation may be applicable down to droplets holding a few hundreds of molecules. (C) 1998 American Institute of Physics. [S0021-9606(98)50334-0].

KW - GAS-LIQUID NUCLEATION

KW - MOLECULAR-DYNAMICS

KW - SURFACE-TENSION

KW - VAPOR INTERFACE

KW - FLUIDS

U2 - 10.1063/1.477006

DO - 10.1063/1.477006

M3 - статья

VL - 109

SP - 4063

EP - 4070

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 10

ER -