Polymer brush bilayers at thermal equilibrium: A density functional theory approach

Abstract

By means of the density functional theory (DFT) framework, the longstanding problem of the polymer brush bilayers at thermal equilibrium is studied. The calculated density profiles reveal that the brushes balance compression and interpenetration when they come into contact. The equation of state of the polymer brush bilayers is obtained and it represents scaling of the pressure with molecular parameters and distance between substrates. The results of this study may shed light in our understanding of some severe Musculoskeletal diseases which degrade the synovium. The significance of this study lays on the fact that the molecular structure is investigated through fundamental physical laws. So, this study bridges between theoretical biological physics and medicine.