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Water–substrate physico-chemistry in wetting dynamics

Published online by Cambridge University Press:  28 September 2015

Petter Johansson Open the ORCID record for Petter Johansson [Opens in a new window] ,
Andreas Carlson  and
Berk Hess
Petter Johansson
Affiliation:
Department of Theoretical Physics and Swedish e-Science Research Center, KTH Royal Institute of Technology, 10691 Stockholm, Sweden
Andreas Carlson*
Affiliation:
John A. Paulson School of Engineering and Applied Sciences and Wyss Institute for Biologically Inspired Engineering, Harvard University, Cambridge, MA 02138, USA Department of Mathematics, University of Oslo, 0316 Oslo, Norway
Berk Hess*
Affiliation:
Department of Theoretical Physics and Swedish e-Science Research Center, KTH Royal Institute of Technology, 10691 Stockholm, Sweden
*
†Email addresses for correspondence: [email protected], [email protected]
†Email addresses for correspondence: [email protected], [email protected]
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Abstract

We consider the wetting of water droplets on substrates with different chemical composition and molecular spacing, but with an identical equilibrium contact angle. A combined approach of large-scale molecular dynamics simulations and a continuum phase field model allows us to identify and quantify the influence of the microscopic physics at the contact line on the macroscopic droplet dynamics. We show that the substrate physico-chemistry, in particular hydrogen bonding, can significantly alter the flow. Since the material parameters are systematically derived from the atomistic simulations, our continuum model has only one adjustable parameter, which appears as a friction factor at the contact line. The continuum model approaches the atomistic wetting rate only when we adjust this contact line friction factor. However, the flow appears to be qualitatively different when comparing the atomistic and continuum models, highlighting that non-trivial continuum effects can come into play near the interface of the wetting front.

JFM classification

Interfacial Flows (free surface): Contact lines Micro-/Nano-fluid dynamics: Micro-/Nano-fluid dynamics Rarefied Gas Flow: Molecular dynamics
Type
Papers
Information
Journal of Fluid Mechanics , Volume 781 , 25 October 2015 , pp. 695 - 711
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Copyright
© 2015 Cambridge University Press 

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