Identifying Differences and Similarities in Static and Dynamic Contact Angles between Nanoscale and Microscale Textured Surfaces Using Molecular Dynamics Simulations

We quantify some of the effects of patterned nanoscale surface texture on static contact angles, dynamic contact angles, and dynamic contact angle hysteresis using molecular dynamics simulations of a moving Lennard-Jones droplet in contact with a solid surface. We observe static contact angles that...

Ausführliche Beschreibung

Bibliographische Detailangaben
Veröffentlicht in:Langmuir : the ACS journal of surfaces and colloids. - 1992. - 31(2015), 29 vom: 28. Juli, Seite 7980-90
1. Verfasser: Slovin, Mitchell R (VerfasserIn)
Weitere Verfasser: Shirts, Michael R
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2015
Zugriff auf das übergeordnete Werk:Langmuir : the ACS journal of surfaces and colloids
Schlagworte:Journal Article
LEADER 01000naa a22002652 4500
001 NLM250305372
003 DE-627
005 20231224155439.0
007 cr uuu---uuuuu
008 231224s2015 xx |||||o 00| ||eng c
024 7 |a 10.1021/acs.langmuir.5b00842  |2 doi 
028 5 2 |a pubmed24n0834.xml 
035 |a (DE-627)NLM250305372 
035 |a (NLM)26110823 
040 |a DE-627  |b ger  |c DE-627  |e rakwb 
041 |a eng 
100 1 |a Slovin, Mitchell R  |e verfasserin  |4 aut 
245 1 0 |a Identifying Differences and Similarities in Static and Dynamic Contact Angles between Nanoscale and Microscale Textured Surfaces Using Molecular Dynamics Simulations 
264 1 |c 2015 
336 |a Text  |b txt  |2 rdacontent 
337 |a ƒaComputermedien  |b c  |2 rdamedia 
338 |a ƒa Online-Ressource  |b cr  |2 rdacarrier 
500 |a Date Completed 02.10.2015 
500 |a Date Revised 28.07.2015 
500 |a published: Print-Electronic 
500 |a Citation Status PubMed-not-MEDLINE 
520 |a We quantify some of the effects of patterned nanoscale surface texture on static contact angles, dynamic contact angles, and dynamic contact angle hysteresis using molecular dynamics simulations of a moving Lennard-Jones droplet in contact with a solid surface. We observe static contact angles that change with the introduction of surface texture in a manner consistent with theoretical and experimental expectations. However, we find that the introduction of nanoscale surface texture at the length scale of 5-10 times the fluid particle size does not affect dynamic contact angle hysteresis even though it changes both the advancing and receding contact angles significantly. This result differs significantly from microscale experimental results where dynamic contact angle hysteresis decreases with the addition of surface texture due to an increase in the receding contact angle. Instead, we find that molecular-kinetic theory, previously applied only to nonpatterned surfaces, accurately describes dynamic contact angle and dynamic contact angle hysteresis behavior as a function of terminal fluid velocity. Therefore, at length scales of tens of nanometers, the kinetic phenomena such as contact line pinning observed at larger scales become insignificant in comparison to the effects of molecular fluctuations for moving droplets, even though the static properties are essentially scale-invariant. These findings may have implications for the design of highly hierarchical structures with particular wetting properties. We also find that quantitatively determining the trends observed in this article requires the careful selection of system and analysis parameters in order to achieve sufficient accuracy and precision in calculated contact angles. Therefore, we provide a detailed description of our two-surface, circular-fit approach to calculating static and dynamic contact angles on surfaces with nanoscale texturing 
650 4 |a Journal Article 
700 1 |a Shirts, Michael R  |e verfasserin  |4 aut 
773 0 8 |i Enthalten in  |t Langmuir : the ACS journal of surfaces and colloids  |d 1992  |g 31(2015), 29 vom: 28. Juli, Seite 7980-90  |w (DE-627)NLM098181009  |x 1520-5827  |7 nnns 
773 1 8 |g volume:31  |g year:2015  |g number:29  |g day:28  |g month:07  |g pages:7980-90 
856 4 0 |u http://dx.doi.org/10.1021/acs.langmuir.5b00842  |3 Volltext 
912 |a GBV_USEFLAG_A 
912 |a SYSFLAG_A 
912 |a GBV_NLM 
912 |a GBV_ILN_22 
912 |a GBV_ILN_350 
912 |a GBV_ILN_721 
951 |a AR 
952 |d 31  |j 2015  |e 29  |b 28  |c 07  |h 7980-90