MARTINI Coarse-Grained Model of Solid–Liquid Interface
| Autor: | Hossein Nejat Pishkenari, Ali Falsafi |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Computational model
010304 chemical physics Capillary action Chemistry Atomic force microscopy Nanotechnology 02 engineering and technology Mechanics 021001 nanoscience & nanotechnology 01 natural sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials General Energy Square root 0103 physical sciences Granularity Physical and Theoretical Chemistry 0210 nano-technology Nanoscopic scale Nanoneedle Solid liquid |
| Zdroj: | The Journal of Physical Chemistry C. 120:26259-26269 |
| ISSN: | 1932-7455 1932-7447 |
| Popis: | Capillary driven motion of fluids is responsible for many natural phenomena and effective on several industrial applications. By way of illustration, consider water remediation and oil recovery, as well as the operation of some laboratory equipment such as trolling mode atomic force microscopy. Experimental study of formation of meniscus layer as a capillary driven motion in scales smaller than micro is extremely difficult and exceedingly costly. Consequently, computational models seem to be appropriate to study the capillary driven motion in nanoscale. In the present work, we have utilized the MARTINI coarse graining method to investigate the establishment of meniscus layer around a cylindrical nanoneedle. We have demonstrated that growth of meniscus layer height is a function of square root of time, which shows agreement with Lucas–Washburn relation for capillary penetration pace. Accordingly, consistency of the utilized model with the physics of the phenomenon can be concluded. Also the effect of varia... |
| Databáze: | OpenAIRE |
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