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首页> 外文期刊>Physical review, E. Statistical physics, plasmas, fluids, and related interdisciplinary topics >Monte Carlo simulations of liquid spreading on a solid surface: Effect of end-group functionality
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Monte Carlo simulations of liquid spreading on a solid surface: Effect of end-group functionality

机译：固体表面上液体扩散的蒙特卡洛模拟：端基功能的影响

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The spreading of liquid droplets composed of molecules with or without reactive end groups over a solid surface has been studied using Monte Carlo simulations, For molecules without reactive end groups, a molecular layering in the spreading profiles is predicted, depending on the ratio of the magnitude of intermolecular interactions to thermal energy. As intermolecular interactions become smaller than thermal energy, the layered structure vanishes. For molecules with reactive end groups, interactions between end groups and between end groups and the surface complicate the situation. By assuming an end-to-end interaction between molecules and the pinning of end groups to the surface, a complex layered structure is obtained. Our simulation predicts spreading profiles that accurately describe the broad spectrum of data obtained from scanning microellipsometry for perfluoropolyalkylethers with and without reactive end groups. [S1063-651X(99)09911-0]. [References: 33]
机译：已经使用蒙特卡罗模拟研究了由具有或没有反应性端基的分子组成的液滴在固体表面上的扩散。对于没有反应性端基的分子，根据扩散率的比例，可以预测分子在扩散分布中的分层分子间相互作用对热能的影响。随着分子间相互作用变得小于热能，层状结构消失了。对于具有反应性端基的分子，端基之间以及端基与表面之间的相互作用使情况复杂化。通过假设分子之间的端到端相互作用以及端基固定到表面上，可以获得复杂的分层结构。我们的模拟预测了散布曲线，该散布曲线可以准确描述通过扫描微偏光法获得的具有和不具有反应性端基的全氟聚烷基醚的广泛数据。 [S1063-651X（99）09911-0]。 [参考：33]

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