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- Mi, Jianguo, et al. Show all 3 Authors
- The Journal of physical chemistry 2012 v.116 no.48 pp. 14100-14106
- Gibbs free energy; algorithms; droplets; equations; physical chemistry; surface tension; vapors
- ... We present a three-dimensional density functional approach to investigate heterogeneous nucleation behaviors of Lennard-Jones fluid on solid walls. In the theoretical calculation, fast Fourier transforms to compute the convolutions of Euler–Lagrange equation enables a high-efficient algorithm in three-dimensional space. The density distributions of a growing nucleus are presented to account for th ...
- Mi, Jianguo, et al. Show all 4 Authors
- The Journal of physical chemistry 2012 v.116 no.22 pp. 6514-6521
- equations; hydrophilicity; hydrophobicity; mathematical theory; physical chemistry; surface tension
- ... In this work, integral equation theory is extended to describe the structures and surface tensions of confined fluids. To improve the accuracy of the equation, a bridge function based on the fundamental measure theory is introduced. The density profiles of the confined Lennard-Jones fluids and water are calculated, which are in good agreement with simulation data. On the basis of these density pro ...