Interfacial and wetting properties of poly(3-hexylthiophene)-water systems
YY Yimer and B Yang and RS Bhatta and M Tsige, CHEMICAL PHYSICS LETTERS, 635, 139-145 (2015).
The wetting behavior of water on different types of poly(3-hexylthiophene)(P3HT) surfaces is studied using molecular dynamics simulations. All the different P3HT surfaces are found to be hydrophobic with water contact angles greater than 90 degrees. The water contact angle on hexyl exposed crystalline P3HT films is about 20 degrees larger than its contact angle on backbone-exposed crystalline P3HT films. However, all the films show comparable interfacial surface energies at the P3HT/water interface. The simulation results are in very good agreement with experimentally measured water contact angles on P3HT films and also interfacial tensions. (C) 2015 Elsevier B.V. All rights reserved.
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