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Influence of Temperature-Guided SAM Growth on Wetting and Its Mass Transfer Models
Prateek Chowdhury1, Ayush Jha1, Debdip Bhandary1
1Department of Chemical Engineering and Technology, Indian Institute of Technology (BHU) Varanasi, Varanasi, UP 221005, India.
The Journal of Physical Chemistry. B
|September 13, 2023
Summary
Molecular dynamics simulations reveal how temperature affects the growth of self-assembled monolayers (SAMs) from n-alkanols on mica. This impacts their wetting behavior and mass transfer properties.
Area of Science:
- Surface science
- Materials science
- Physical chemistry
Background:
- Self-assembled monolayers (SAMs) of amphiphiles are crucial for various technological applications.
- Understanding SAM formation and growth is key to controlling surface properties.
Purpose of the Study:
- To investigate the relationship between amphiphile wetting behavior and SAM growth on mica.
- To elucidate the influence of temperature on SAM structural and thermodynamic properties.
Main Methods:
- Molecular dynamics simulations were employed to study n-alkanol SAMs on mica.
- Analysis included structural characteristics (density, order parameters), thermodynamic properties (virial coefficient, entropy), and diffusion.
- Mass transfer theories were used to quantify SAM growth rate as a function of temperature.
Main Results:
- Temperature significantly influences SAM structural characteristics and thermodynamic properties.
- SAM growth kinetics were quantified, showing temperature-dependent characteristic time scales and diffusion.
- Contact angle and spreading coefficient of n-alkanol droplets correlated with SAM growth over time.
Conclusions:
- The study provides insights into the impact of SAM growth on wetting behavior.
- A mass transfer model for amphiphile SAMs on mica was developed and validated.
- Findings contribute to the rational design of surfaces with tailored wetting properties.
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