Janewska, Magdalena (2024) Simulating Capillary Force Bridges Using LAMMPS in Ambient and Aqueous-Ambient Conditions: The Influence of Roughness. Bachelor's Thesis, Physics.
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Abstract
This study investigated the formation of capillary force bridges in ambient and aqueous-ambient conditions under varying rms roughness using LAMMPS molecular dynamics simulations and theoretical models. Research focused on plane-plane (P-P) and sphere-plane (S-P) geometries. Surface tension was measured to characterize the liquid's cohesive properties and its impact on capillary forces. Results indicated significant discrepancies between simulated, theoretical, and experimental (literature) capillary forces, largely due to simulation parameter inaccuracies. Under ambient conditions, water's surface tension was greatly overestimated, ranging from 10^1 to 10^2 N/m, compared to the literature value of 71.97 mN/m. Simulated capillary forces ranged from 100 to 10^1 N (P-P) and 10^3 N (S-P). At the same time, theoretical values were in the order of 10^-6 N. Roughness did not significantly alter simulated capillary forces within the tested range of 0.00 to 1.36 nm total rms roughness. Theoretical models partially conformed with simulated behaviour, highlighting their limitations. Simulations in aqueous-ambient conditions were not equilibrated and yielded no results. The results emphasize the need for refined simulation parameters and advanced theoretical models of roughness for reliable predictions of capillary forces in various conditions.
| Item Type: | Thesis (Bachelor's Thesis) |
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| Supervisor name: | Palasantzas, G. and Grubisic-Cabo, A. |
| Degree programme: | Physics |
| Thesis type: | Bachelor's Thesis |
| Language: | English |
| Date Deposited: | 12 Jul 2024 07:12 |
| Last Modified: | 12 Jul 2024 07:12 |
| URI: | https://fse.studenttheses.ub.rug.nl/id/eprint/33284 |
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