A surface tension study of liquid threads

Yan, Hong; Sun, Haoliang

doi:10.1016/j.molliq.2011.05.008

Cited by 3 publications

(2 citation statements)

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“…P zz , P xx and P yy represent the statistical tangential pressure tensors in the x , y , and z directions of the simulation box. In previous studies, it has been found that surface tension is a cell-size-dependent property in MD simulations. − In a previous study, Pauletti et al found that the numerical magnitude of the surface tension of a planar surface is affected by the cell size and the number of molecules in the simulation box, and a larger surface area would result in larger surface tension values and smaller statistical errors . Based on this conclusion, we chose 12 nm as the edge length of the simulation box to avoid large statistical errors.…”

Section: Experimental and Simulation Methodsmentioning

confidence: 99%

Molecular Behavior of Ethylene Glycol/1,2-Butanediol Mixtures at the Vapor–Liquid Interface

Sun,

Li,

Hou

et al. 2024

Ind. Eng. Chem. Res.

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In this work, a binary azeotropic mixture of ethylene glycol (EG) and 1,2-butanediol (BUT) is used as a benchmark system to study how the molecular structure at the vapor–liquid interface depends on the concentration and temperature by using sum-frequency generation vibrational spectroscopy (SFG-VS), surface tension measurements, and molecular dynamics (MD) simulations. At 22 °C, the BUT molecules yield strong SFG-VS signals in the C–H stretching frequency range and override the signal of EG from the mole fraction of BUT at 0.3 to pure BUT solution. After the temperature is increased from 22 to 64 °C, the observed decrease in the SFG-VS intensity of the mixtures suggests that the dynamics of the adsorbed layer at the interface change with temperature. A detailed analysis of MD data shows that the methyl groups of BUT prefer an upright direction along the surface normal at 22 °C and that the bulk concentration change does not significantly affect the molecular orientation. The increase in the temperature reduces the “up-pointing” trend. The interfacial concentration analysis suggests that the interfacial concentration approaches the bulk mole fraction with increasing temperature. The interfacial behavior depends on the bulk properties of the liquid and contributes to vapor-phase behavior.

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Section: Experimental and Simulation Methodsmentioning

confidence: 99%

Molecular Behavior of Ethylene Glycol/1,2-Butanediol Mixtures at the Vapor–Liquid Interface

Sun,

Li,

Hou

et al. 2024

Ind. Eng. Chem. Res.

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“…Now at a constant temperature, the dynamic viscosity (μ) can be assumed to be a constant and it has been shown that the surface tension of threads decreases linearly with radius [22]. Then,…”

Section: Instability Of a Liquid Threadmentioning

confidence: 99%

Rayleigh instability at small length scales

Gopan

Sathian

2014

Phys. Rev. E

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The Rayleigh instability (also called the Plateau-Rayleigh instability) of a nanosized liquid propane thread is investigated using molecular dynamics (MD). The validity of classical predictions at small length scales is verified by comparing the temporal evolution of liquid thread simulated by MD against classical predictions. Previous works have shown that thermal fluctuations become dominant at small length scales. The role and influence of the stochastic nature of thermal fluctuations in determining the instability at small length scale is also investigated. Thermal fluctuations are seen to dominate and accelerate the breakup process only during the last stages of breakup. The simulations also reveal that the breakup profile of nanoscale threads undergo modification due to reorganization of molecules by the evaporation-condensation process.

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