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A multi-scale perspective of gas transport through soap-film membranes
Molecular Systems Design & Engineering ( IF 3.6 ) Pub Date : 2020-03-16 , DOI: 10.1039/c9me00186g
Gabriele Falciani 1, 2, 3 , Ricardo Franklin 3, 4, 5 , Alain Cagna 6, 7 , Indraneel Sen 8, 9, 10 , Ali Hassanali 3, 4, 5 , Eliodoro Chiavazzo 1, 2, 3
Affiliation  

Soap films represent unique aqueous systems, whose physical properties can be tuned by acting on their nanoscale structure. Here, we specifically focus on transport properties through membranes realized in the form of soap films. While diffusion phenomena in the water core and surfactant monolayers are described using a continuum model, molecular dynamics is used to compute the static and dynamical properties of water, gases and the surfactant in the monolayers which is hexaethylene glycol monododecyl ether (C12E6). The obtained atomistic details are then incorporated into a drift-diffusion model for consistently extracting a boundary condition for the above continuum model describing transport phenomena at a larger scale. Numerical predictions are validated against experimental data from both properly designed experiments and the literature. Finally, the developed model is used to estimate the characteristic time for disparate gas mixing when initially separated by soap film membranes.

中文翻译:

气体透过肥皂膜的多角度透视

肥皂膜代表了独特的水性体系,其物理性质可以通过作用于其纳米级结构进行调节。在这里,我们特别关注通过以肥皂膜形式实现的膜的传输性能。尽管使用连续模型描述了水核和表面活性剂单层中的扩散现象,但是分子动力学用于计算水,气体和表面活性剂在单层中的静态和动力学性质,即六甘醇单十二烷基醚(C 12 E 6)。然后将获得的原子细节合并到漂移扩散模型中,以便为上述连续模型更大规模地描述传输现象,从而始终如一地提取边界条件。数值预测是根据适当设计的实验和文献得出的实验数据进行验证的。最后,开发的模型用于估算最初由肥皂膜分开时不同气体混合的特征时间。
更新日期:2020-03-16
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