laboratoire de physique statistique
 
 
laboratoire de physique statistique

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2009
Atomistic simulations of spontaneous formation and structural properties of linoleic acid micelles in water - Abel, Stephane and Attia, Judith and Remita, Samy and Marchi, Massimo and Urbach, Wladimir and Goldmann, Michel
CHEMICAL PHYSICS LETTERS 481124-129 (2009)

Abstract : Molecular dynamics simulations were used to explore the structure of linoleic acid (LIN) micelles with 60 monomers in explicit water. To examine micellar properties, two approaches were considered using `preformed' and `self-aggregated' micelles. Our results demonstrate the quickness of the process of monomers aggregation. After 10 ns, both `preformed' and `self-aggregated' micelles are characterized by very similar structural properties: a slightly ellipsoidal shape and dimensions close to 20 angstrom. In addition, `preformed' and `self-aggregated' micelles display mainly hydrophobic surfaces, since these latter are made up of similar to 73\% of LIN tails. Finally, within the two kinds of micelles, LIN molecules are bent due to their cis double bond conformations. (C) 2009 Elsevier B. V. All rights reserved.
 
2008
Comment on `Nanoscale water capillary bridges under deeply negative pressure' [Chem. Phys. Lett. 451 (2008) 88] - Caupin, Frederic and Herbert, Eric and Balibar, Sebastien and Cole, Milton W.
CHEMICAL PHYSICS LETTERS 463283-285 (2008)

Abstract : Yang et al. reported pull-off force measurements between an atomic force microscope tip and a silicon wafer. They deduced the pressure of liquid water inside the capillary bridge formed in humid air. They claimed that their `research shows that nanoscale water capillary bridges are metastable and have absolutely negative pressure approaching the limit of stability for water' (around -200 MPa at room temperature). Indeed, pressures reaching -160 MPa were reported, establishing a world record. However, we show that the bridges are not metastable, that the analysis used suffers from internal inconsistency, and that several assumptions made are questionable. (C) 2008 Elsevier B.V. All rights reserved.