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Updated: Jul 13, 2026

Studying Surfactant Effects on Hydrate Crystallization at Oil-Water Interfaces Using a Low-Cost Integrated Modular Peltier Device
Published on: March 18, 2020
Effect of surface polarity on water contact angle and interfacial hydration structure
Nicolas Giovambattista1, Pablo G Debenedetti, Peter J Rossky
1Department of Chemical Engineering, Princeton University, Princeton, New Jersey 08544-5263, USA.
Abstract:
We perform molecular dynamics simulations of water in the presence of hydrophobic/hydrophilic walls at T = 300 K and P = 0 GPa. For the hydrophilic walls, we use a hydroxylated silica model introduced in previous simulations [Lee, S. H.; Rossky, P. J. J. Chem. Phys. 1994, 100, 3334. Giovambattista, N.; Rossky, P. J.; Debenedetti, P. G.; Phys. Rev. E 2006, 73, 041604.]. By rescaling the physical partial atomic charges by a parameter 0
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