화학공학소재연구정보센터
Journal of Physical Chemistry B, Vol.117, No.35, 10293-10303, 2013
Terminally Grafted Chain Layers in Oligomer-Monomer Solutions: Predictions from a Density Functional Theory
The structure of grafted chain layers immersed in an explicit solvent consisting of chain Molecules is Studied. using density functional :theory.. We consider bonded layers built of short grafted chains at a moderate grafting density. We :investigate the grafted layers : in contact with oligomeric, solvents and oligomer monomer solutions. The chain molecules are freely jointed spherical segments. The substrate is assumed to be inert with respect to the grafted chains. The mobile Molecules interact with the surface Via. Lennard-Jones (9-3) potential. The interactions between mobile chains, monomers, as well as segments of the tethered chains, are described by Lennard-Jones (12-6) potential We discuss how the Structure Of the grafted chain layer depends On the length. of mobile chains and strengths, of grafted chain oligomer Oligomer substrate,oligomer-oligomer, and oligomer-monomer interactions. We study the impact of mixture composition on the height Of the bonded layer for selected model systems. The results are consistent with previous experimental and simulation data.