Self-consistent field/density functional study of conformational properties of polymers at interfaces: role of intramolecular interactions.

摘要: We study the properties of athermal polymers at hard walls using two different versions self-consistent field theory (SCFT). calculate segment density profiles, center mass bond orientation vector and end-to-end distributions compare with grand canonical Monte Carlo simulations. Using same excess free energy prescription for both theories, we investigate role excluded volume intramolecular interactions on these properties, show relation between SCFT functional theory, discuss several numerical implementations method. The phantom chain model gives Gaussian statistics independent conditions. Including full potential leads to an improved description low regime but it does not produce any significant improvement in semidiluted concentrated regimes. that a viable compromise is achieved by effective resulting from calculating single potential.