Journal
LANGMUIR
Volume 34, Issue 42, Pages 12501-12518Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.langmuir.8b00466
Keywords
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Funding
- EPSRC Platform Grant MACIPh [EP/L020564/1]
- National Science Centre, Poland [2015/19/P/ST3/03541]
- European Union's Horizon 2020 research and innovation programme under Marie Sklodowska-Curie grant [665778]
- PLGrid Infrastructure
- EPSRC [EP/L020564/1] Funding Source: UKRI
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Despite decades of research, the modeling of moving contact lines has remained a formidable challenge in fluid dynamics whose resolution will impact numerous industrial, biological, and daily life applications. On the one hand, molecular dynamics (MD) simulation has the ability to provide unique insight into the microscopic details that determine the dynamic behavior of the contact line, which is not possible with either continuum-scale simulations or experiments. On the other hand, continuum-based models provide a link to the macroscopic description of the system. In this Feature Article, we explore the complex range of physical factors, including the presence of surfactants, which governs the contact line motion through MD simulations. We also discuss links between continuum- and molecular-scale modeling and highlight the opportunities for future developments in this area.
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