Monte Carlo Simulation Of The Adsorption Conformation Of Polymer On Solid Surface

With growing application of polymer in extensive fields ranging from adhesive industry, minerals engineering, and materials surface modification, to rheological behavior adjustment of suspension, the research on interfacial properties of polymer has received increasing attentions from both academia and industry. Previous observations have principally indicated that adsorption conformations of polymeric reagents have strong link with their applicability and performance. It is both attractive and highly practical to implement a detailed research on the adsorption conformations of polymer.In view of the less availability of cutting-edge equipments as well as the tremendous difficulty in preparing ore samples with finely polished surface qualified for the characterization, in the current contribution, we focused on the theoretical investigation instead. Monte Carlo simulation approach, which has relatively high computational efficiency, was chosen to model the adsorption system of-A(B)m-type polymers at the solid-liquid interfaces according to the simple cubic lattice model. Factors like chain length, molecular chain cycle, chain concentration, interaction among particles (A-B, A-A, B-B, A-surface, B-surface, A-solvent, B-solvent, surface-solvent), and temperature were investigated to examine the changing rule of the adsorption probability P, the average adsorption thickness d, the root mean square end-to-end distance<R2>1/2, and the root mean square radius of gyration<S2>1/2. The resultant findings would provide potential support and fundamental reference for the design, development and application of novel and high-efficient polymer products.