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Cassie-Baxter and Wenzel states on a nanostructured surface: phase diagram, metastabilities, and transition mechanism by atomistic free energy calculations.
Langmuir. 2012 Jul 24; 28(29):10764-72.L

Abstract

In this work, we study the wetting of a surface decorated with one nanogroove by a bulk Lennard-Jones liquid at various temperatures and densities. We used atomistic simulations aimed at computing the free energy of the stable and metastable states of the system, as well as the intermediate states separating them. We found that the usual description in terms of Cassie-Baxter and Wenzel states is insufficient, as the system presents two states of the Cassie-Baxter type. These states are characterized by different curvatures of the meniscus. The measured free energy barrier separating the Cassie-Baxter from the Wenzel state (and vice versa) largely exceeds the thermal energy, attesting the existence of Cassie-Baxter/Wenzel metastabilities. Finally, we found that the Cassie-Baxter/Wenzel transition follows an asymmetric path, with the formation of a liquid finger on one side of the groove and a vapor bubble on the opposite side.

Authors+Show Affiliations

Dipartimento di Ingegneria Meccanica e Aerospaziale, Università di Roma La Sapienza, Via Eudossiana 18, 00184 Roma, Italy.No affiliation info availableNo affiliation info availableNo affiliation info available

Pub Type(s)

Journal Article

Language

eng

PubMed ID

22708630

Citation

Giacomello, Alberto, et al. "Cassie-Baxter and Wenzel States On a Nanostructured Surface: Phase Diagram, Metastabilities, and Transition Mechanism By Atomistic Free Energy Calculations." Langmuir : the ACS Journal of Surfaces and Colloids, vol. 28, no. 29, 2012, pp. 10764-72.
Giacomello A, Meloni S, Chinappi M, et al. Cassie-Baxter and Wenzel states on a nanostructured surface: phase diagram, metastabilities, and transition mechanism by atomistic free energy calculations. Langmuir. 2012;28(29):10764-72.
Giacomello, A., Meloni, S., Chinappi, M., & Casciola, C. M. (2012). Cassie-Baxter and Wenzel states on a nanostructured surface: phase diagram, metastabilities, and transition mechanism by atomistic free energy calculations. Langmuir : the ACS Journal of Surfaces and Colloids, 28(29), 10764-72. https://doi.org/10.1021/la3018453
Giacomello A, et al. Cassie-Baxter and Wenzel States On a Nanostructured Surface: Phase Diagram, Metastabilities, and Transition Mechanism By Atomistic Free Energy Calculations. Langmuir. 2012 Jul 24;28(29):10764-72. PubMed PMID: 22708630.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Cassie-Baxter and Wenzel states on a nanostructured surface: phase diagram, metastabilities, and transition mechanism by atomistic free energy calculations. AU - Giacomello,Alberto, AU - Meloni,Simone, AU - Chinappi,Mauro, AU - Casciola,Carlo Massimo, Y1 - 2012/07/10/ PY - 2012/6/20/entrez PY - 2012/6/20/pubmed PY - 2012/6/20/medline SP - 10764 EP - 72 JF - Langmuir : the ACS journal of surfaces and colloids JO - Langmuir VL - 28 IS - 29 N2 - In this work, we study the wetting of a surface decorated with one nanogroove by a bulk Lennard-Jones liquid at various temperatures and densities. We used atomistic simulations aimed at computing the free energy of the stable and metastable states of the system, as well as the intermediate states separating them. We found that the usual description in terms of Cassie-Baxter and Wenzel states is insufficient, as the system presents two states of the Cassie-Baxter type. These states are characterized by different curvatures of the meniscus. The measured free energy barrier separating the Cassie-Baxter from the Wenzel state (and vice versa) largely exceeds the thermal energy, attesting the existence of Cassie-Baxter/Wenzel metastabilities. Finally, we found that the Cassie-Baxter/Wenzel transition follows an asymmetric path, with the formation of a liquid finger on one side of the groove and a vapor bubble on the opposite side. SN - 1520-5827 UR - https://www.unboundmedicine.com/medline/citation/22708630/Cassie_Baxter_and_Wenzel_states_on_a_nanostructured_surface:_phase_diagram_metastabilities_and_transition_mechanism_by_atomistic_free_energy_calculations_ L2 - https://dx.doi.org/10.1021/la3018453 DB - PRIME DP - Unbound Medicine ER -
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