L. Schlangen et al., SELF-CONSISTENT-FIELD THEORY FOR WETTING OF BINARY POLYMER-SOLVENT MIXTURES ON RIGID AND SOFT INTERFACES, Journal of the Chemical Society. Faraday transactions, 92(4), 1996, pp. 579-587
Citations number
27
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
An inhomogeneous lattice self-consistent field (SCF) theory is applied
to wetting problems. In this method molecular details, such as chain
length, chain architecture, and short-range molecular interaction para
meters are the input parameters. In a 1D (one-dimensional) SCF calcula
tion adsorption isotherms, interfacial tensions and segment density pr
ofiles are calculated, from which wetting characteristics, such as the
contact angle, follow. In a 2D SCF calculation, droplet shapes are pr
oduced and direct contact-angle measurements are possible. The two app
roaches complement each other. Examples of critical wetting and first-
order wetting (including pre-wetting transitions) are shown for molecu
les spreading on a flat surface. Short-chain molecules (C-10) wet a br
ush made of end-grafted C-10 molecules only for intermediate grafting
densities. The wetting transitions for these soft interface systems te
nd to be second order. This is in contrast to wetting transitions on r
igid interfaces, which appear to be first order when the chain length
of the wetting fluid exceeds that of the solvent.