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Chemistry

Xiao Cheng Zeng Publications

1998

Articles 1 - 3 of 3

Full-Text Articles in Physical Sciences and Mathematics

The Effect Of A Uniform Electric Field On Homogeneous Vapor–Liquid Nucleation In A Dipolar Fluid. I. Stockmayer Fluid, K.J. Oh, G.T. Gao, Xiao Cheng Zeng Nov 1998

The Effect Of A Uniform Electric Field On Homogeneous Vapor–Liquid Nucleation In A Dipolar Fluid. I. Stockmayer Fluid, K.J. Oh, G.T. Gao, Xiao Cheng Zeng

Xiao Cheng Zeng Publications

The rate of homogeneous vapor–liquid nucleation is controlled mainly by the Gibbs formation free energy of critical clusters. Within the framework of thei/υ cluster theory of Reiss and co-workers, the formation free energies of Stockmayer clusters in the presence of a uniform electric field are determined. The Helmholtz free energy of the clusters, an input required in the i/υ cluster theory, is calculated via Monte Carlo simulations. The most significant result is that as a uniform electric field is applied the formation free energy at fixed supersaturation of the vapor becomes larger than that in the absence …


Validity Of Tolman’S Equation: How Large Should A Droplet Be?, Kenichiro Koga, Xiao Cheng Zeng, A.K. Shchekin Sep 1998

Validity Of Tolman’S Equation: How Large Should A Droplet Be?, Kenichiro Koga, Xiao Cheng Zeng, A.K. Shchekin

Xiao Cheng Zeng Publications

Surface tension and the length δ (distance between the Gibbs surface of tension Rs and the equimolar surface Re) of simple liquid droplet (Lennard-Jones and Yukawa) are computed over a wide range of droplet sizes up to about 4x106 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 δx can be determined unequivocally from the asymptotic behavior of σ s . Comparison …


Contribution Of The Center-Of-Mass Fluctuation Of A Liquid Cluster To The Free Energy: A Monte Carlo Simulation Study, K.J. Oh, Xiao Cheng Zeng Mar 1998

Contribution Of The Center-Of-Mass Fluctuation Of A Liquid Cluster To The Free Energy: A Monte Carlo Simulation Study, K.J. Oh, Xiao Cheng Zeng

Xiao Cheng Zeng Publications

The contribution of the center-of-mass (CM) fluctuation of a liquid cluster to the Helmholtz free energy was first discussed by Reiss, Katz, and Cohen (RKC). They argued that this contribution can be assessed via the free energy difference between the cluster with a fixed boundary centered on a fixed CM, and the cluster in which the CM was allowed to fluctuate. They estimated the free energy difference is to be about 20 kbT. Here kb is the Boltzmann constant and T is the temperature of the system. To examine this estimate, Abraham et al. later calculated …