Molecular dynamics study of nanobubbles in the equilibrium Lennard-Jones fluid.
Molecular dynamics study of nanobubbles in the equilibrium Lennard-Jones fluid.
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平衡伦纳德-琼斯流体中纳米气泡的分子动力学研究。
DOI：
10.1063/1.4826648
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发表时间：
2013
影响因子：
4.4
通讯作者：
D. Zhukhovitskii
中科院分区：
文献类型：
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作者：
D. Zhukhovitskii
我们采用了一个模型，在该模型中，散装液体中的密度波动表示为最近邻居（键数）减少的分子簇的存在。基于团簇形成过程的表面部分与纳米气泡形成过程的表面部分之间的密切类比，计算了纳米气泡的尺寸分布。该分布的指前因子与流体可压缩性有关。对不同液体的估计表明，它与经典成核理论（CNT）中采用的方法有明显的不同。通过Lennard-Jones势和长尾相互作用，对宏观液滴中的液体进行了分子动力学（MD）模拟。纳米气泡是由缺乏键的颗粒团簇来识别的，这些颗粒团簇具有最佳键数，可以提供最大的纳米气泡数密度和最大的可分解纳米气泡等摩尔大小。与碳纳米管相比，MD模拟的结果在质量上更符合所提出的理论。
We employ a model, in which the density fluctuations in a bulk liquid are represented as presence of the clusters of molecules with the lowered number of nearest neighbors (number of bonds). The nanobubble size distribution is calculated on the basis of a close analogy between the surface part of the work of formation for a cluster and for a nanobubble. The pre-exponential factor for this distribution is related to the fluid compressibility. Estimates made for different liquids show that it can be noticeably different from that adopted in the classical nucleation theory (CNT). Molecular dynamics (MD) simulation is performed for a liquid inside a macroscopic droplet of molecules interacting via the Lennard-Jones potential plus a long-range tail. The nanobubbles are identified by clusters of bond-deficient particles with the optimum number of bonds that provide the maximum nanobubble number density and maximum resolvable nanobubble equimolar size. The results of MD simulation are in qualitatively better agreement with proposed theory than with CNT.
DOI：
10.1017/cbo9781107338760
发表时间：
1995-02
期刊：
FUZZ-IEEE'99. 1999 IEEE International Fuzzy Systems. Conference Proceedings (Cat. No.99CH36315)
影响因子：
--
作者：
C. Brennen
通讯作者：
C. Brennen