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Nucleation for Lennard-Jones Fluid by Density Functional Theory

         

摘要

@@ A non-mean field density functional theory is employed to investigate the vapour-liquid nucleation. The excess Helmholtz free energy functional is formulated in terms of a local density approximation for short ranged repulsion and a density-gradient expansion for long-ranged attractions. An analytical expression for the direct correlation function of a Lennard-Jones fluid is utilized to take into account the effect of long-ranged attractions on intermolecular correlations. With the predicted bulk properties and surface tension as input, the nucleation properties including density profile, work of formation and number of particles at the reduced temperatures T* = 0.694 and 0.741 are inuestigated. The obtained number of particles in the critical nucleus agrees well with the simulation data.

著录项

  • 来源
    《中国物理快报:英文版》 |2005年第6期|1378-1381|共4页
  • 作者

    FU Dong;

  • 作者单位

    School of Environmental Science and Engineering, North China Electric Power University, Baoding 071003;

  • 原文格式 PDF
  • 正文语种 chi
  • 中图分类 物理学;
  • 关键词

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