Temperature effects on the hydrophobic force between two graphene-like surfaces in liquid water

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Abstract

Water-mediated, effective, long-range interaction between two hydrophobic surfaces immersed in water is of great importance in natural phenomena. We perform the molecular dynamics simulations to investigate the effect of temperature on the attractive force between two graphene-like hydrophobic surfaces in SPC/E water. We systematically calculate the force between two hydrophobic surfaces at different inter-wall separations (d) and subsequently determine the correlation lengths at different temperatures. A significant change in the strength of the attractive hydrophobic force is observed with the variation of temperature. The correlation length of effective hydrophobic force increases on lowering the temperature. We also examine the temperature effects on the behavior of confined water molecules by computing the density and orientational profiles. The analyses of these profiles suggest that the layering of water molecules induced by surfaces decreases with increase in temperature of the system. Critical dewetting distance (\(\hbox {d}_{c}\)), where drying transition phenomenon occurs, shifts to the lower value of d upon cooling.

Graphical Abstract

Synopsis: The correlation length of effective hydrophobic force increases on lowering the temperature of the system. Critical de-wetting distance (\(d_{c}\)), where drying transition phenomenon occurs, shifts to lower value of inter-wall separation (d) upon cooling.

Keywords

Hydrophobic force correlation length of HFL drying transition tetrahedral order parameter 

Notes

Acknowledgements

It is a pleasure to thank Dr. Sarmistha Sarkar, Mr. Rajesh Dutta, Mr. Saumyak Mukherjee and Mr. Sayantan Mondal for going through the manuscript. We thank DST (India) for partial support of this work. BB thanks J.C. Bose Fellowship for financial support. TS acknowledges CSIR-UGC for providing Senior Research Fellowship (SRF).

Supplementary material

12039_2018_1433_MOESM1_ESM.pdf (433 kb)
Supplementary material 1 (pdf 433 KB)

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Copyright information

© Indian Academy of Sciences 2018

Authors and Affiliations

  1. 1.Solid State and Structural Chemistry UnitIndian Institute of ScienceBangaloreIndia

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