The prediction of the adsorption and dynamics properties of polymers at solid and soft interfaces is an important technological and biological problem. Solid interfaces are indeed present in all polymer composites (where particles are dispersed into a polymeric matrix with the aim of improving its mechanical and rheological properties) but also relevant for many applications such as for coating. Polymers adsorb also at liquid interfaces in many industrial processes, such as liquid/liquid extractions, solvent displacement methods, or emulsifications, and also when used for biological applications, such as drug nanocarriers, biocompatibilizers, or protective coatings.
In this talk we will present a set of multiscale approaches developed over the years to predict the adsorption properties of polymers at solid surfaces (specifically carbon black) and soft interfaces (liquid/liquid and lipid membrane).
The aim of the multiscale technique is to balance the need to retain important chemical details allowing long simulations and ultimately to identify design rules to predict the polymer/interface adhesion properties as a function of surface roughness and polymer composition.
M. Zaki, P. Carbone, Langmuir 2017,33, 13284
T. Taddese, P. Carbone, J. Phys. Chem. B, 2017, 121, 1601
T. Taddese, D. L. Cheung, P. Carbone, ACSMacro Lett., 2015, 4, 1089
T. Taddese, P. Carbone, D. L. Cheung, Soft Matter, 2015, 11, 81