Evaporation and disjoining pressure of ultrathin film on substrate: a molecular dynamics study

2012 ◽  
Vol 26 (8) ◽  
pp. 2275-2284 ◽  
Author(s):  
M. Han
2006 ◽  
Vol 128 (12) ◽  
pp. 1266-1275 ◽  
Author(s):  
Sashidhar S. Panchamgam ◽  
Joel L. Plawsky ◽  
Peter C. Wayner

Using image-analyzing interferometry, the thickness profile, in the range of δ0 (adsorbed thickness) <δ<3μm, at the leading edge of a moving ultrathin film with phase change, was measured for a mixture of pentane-octane and compared to that of pure pentane. An improved data-analysis procedure was used to enhance the use of the measured thickness profile. There were significant differences between these two systems, demonstrating the presence of large Marangoni interfacial shear stresses with the mixture. A control volume model was developed to evaluate the differences between the pure fluid and the mixture. The disjoining pressure at the leading edge was found to control fluid flow in the evaporating pure system. However, due to Marangoni stresses, the effect of disjoining pressure on the mixture was found to be small at steady state for the fluxes studied. With an upstream bulk mixture of 2% octane and 98% pentane, a shear stress due to the gradient of the liquid-vapor interfacial surface tension resulting from distillation controlled fluid flow in the contact line region. The average curvature of the evaporating pseudo-steady state pure system was significantly larger (smaller length and larger apparent contact angle at δ=0.1μm) than the isothermal value, whereas the reverse occurred for the mixture. Using a continuum model, a comparison of numerically obtained Marangoni stresses and local evaporative heat flux profiles between the two systems was also made.


2006 ◽  
Vol 128 (12) ◽  
pp. 1276-1284 ◽  
Author(s):  
V. P. Carey ◽  
A. P. Wemhoff

The concept of disjoining pressure, developed from thermodynamic and hydrodynamic analysis, has been widely used as a means of modeling the liquid-solid molecular force interactions in an ultra-thin liquid film on a solid surface. In particular, this approach has been extensively used in models of thin film transport in passages in micro evaporators and micro heat pipes. In this investigation, hybrid μPT molecular dynamics (MD) simulations were used to predict the pressure field and film thermophysics for an argon film on a metal surface. The results of the simulations are compared with predictions of the classic thermodynamic disjoining pressure model and the Born-Green-Yvon (BGY) equation. The thermodynamic model provides only a prediction of the relation between vapor pressure and film thickness for a specified temperature. The MD simulations provide a detailed prediction of the density and pressure variation in the liquid film, as well as a prediction of the variation of the equilibrium vapor pressure variation with temperature and film thickness. Comparisons indicate that the predicted variations of vapor pressure with thickness for the three models are in close agreement. In addition, the density profile layering predicted by the MD simulations is in qualitative agreement with BGY results, however the exact density profile is dependent upon simulation parameters. Furthermore, the disjoining pressure effect predicted by MD simulations is strongly influenced by the allowable propagation time of injected molecules through the vapor region in the simulation domain. A modified thermodynamic model is developed that suggests that presence of a wall-affected layer tends to enhance the reduction of the equilibrium vapor pressure. However, the MD simulation results imply that presence of a wall layer has little effect on the vapor pressure. Implications of the MD simulation predictions for thin film transport in micro evaporators and heat pipes are also discussed.


Author(s):  
V. P. Carey ◽  
A. P. Wemhoff

The concept of disjoining pressure, developed from thermodynamic and hydrodynamic analysis, has been widely used as a means of modeling the liquid-solid molecular force interactions in an ultra-thin liquid film on a solid surface. In particular, this approach has been extensively used in models of thin film transport in passages in micro evaporators and micro heat pipes. In this investigation, hybrid μPT molecular dynamics (MD) simulations were used to predict the pressure field and film thermophysics for an argon film on a metal surface. The results of the simulations are compared with predictions of the classic thermodynamic disjoining pressure model. The thermodynamic model provides only a prediction of the relation between vapor pressure and film thickness for a specified temperature. The MD simulations provide a detailed prediction of the density and pressure variation in the liquid film, as well as a prediction of the variation of the equilibrium vapor pressure variation with temperature and film thickness. Comparisons indicate that the predicted variations of vapor pressure with thickness for these two models are in close agreement. A modified thermodynamic model is developed which suggests that presence of a wall-affected layer tends to enhance the reduction of the equilibrium vapor pressure. However, the MD simulation results imply that presence of a wall layer has little effect on the vapor pressure. Implications of the MD simulation predictions for thin film transport in micro evaporators and heat pipes are also discussed.


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