0000000000141396
AUTHOR
Julia A. Martemyanova
Orientational ordering transitions of semiflexible polymers in thin films: A Monte Carlo simulation
Athermal solutions (from dilute to concentrated) of semiflexible macromolecules confined in a film of thickness D between two hard walls are studied by means of grand-canonical lattice Monte Carlo simulation using the bond fluctuation model. This system exhibits two phase transitions as a function of the thickness of the film and polymer volume fraction. One of them is the bulk isotropic-nematic first-order transition, which ends in a critical point on decreasing the film thickness. The chemical potential at this transition decreases with decreasing film thickness ("capillary nematization"). The other transition is a continuous (or very weakly first-order) transition in the layers adjacent …
Conformational Changes of a Single Semiflexible Macromolecule Near an Adsorbing Surface: A Monte Carlo Simulation
The properties of a single semiflexible chain tethered to a planar surface with a long-ranged attractive potential are studied by means of Monte Carlo simulations. We employ the bond fluctuation lattice model and the Wang-Landau sampling technique. We present the diagram of states for semiflexible chains consisting of N = 64 and 128 monomer units as a function of temperature T and strength of the adsorption potential, epsilon(w), and also compare this with the diagram of states for flexible chains of these two lengths. The diagram of states consists of the regions of a coil, liquid globule, solid isotropic globule, adsorbed coil, and quasi-two-dimensional solid globule with nematic bond ord…
Conformational Properties of Semiflexible Chains at Nematic Ordering Transitions in Thin Films: A Monte Carlo Simulation
Athermal solutions of semiflexible macromolecules with excluded volume interactions and with varying concentration (dilute, semidilute, and concentrated solutions) in a film of thickness D between ...