Diblock copolymers at a homopolymer-homopolymer-interface: a Monte Carlo simulation
A. Werner, F. Schmid, K. Binder, M. Mueller
Abstract
The properties of diluted symmetric A-B diblock copolymers at the interface between A and B homopolymer phases are studied by means of Monte Carlo (MC) simulations of the bond fluctuation model. We calculate segment density profiles as well as orientational properties of segments, of A and B blocks, and of the whole chain. Our data support the picture of oriented ``dumbbells'', which consist of mildly perturbed A and B Gaussian coils. The results are compared to a self consistent field theory (SCFT) for single copolymer chains at a homopolymer interface. We also discuss the number of interaction contacts between monomers, which provide a measure for the ``active surface'' of copolymers or homopolymers close to the interface.
Create a lesson
Related papers
Cartesian and Curvilinear Anharmonic Frequencies and Intensities: Perturb-then-Diagonalize Polyad Transport and Adiabatic Discrete-Variable Representation
Vincenzo Barone
High-Harmonic Generation Probes Quantum Nuclear Fluctuations in Liquid Water
George Trenins, Nicolas Tancogne-Dejean, Angana Mondal et al.
Density and excess molar enthalpy of 2-butanol + glyme liquid mixtures. Application of the DISQUAC, UNIFAC (Dortmund) and ERAS models to 2-alkanol + linear ether systems
Fatemeh Pazoki, João Victor Alves-Laurentino, Susana Villa et al.
Combined Absorption and Emission Study of Air Species in NASA EAST
Jesse W. Streicher, Efaine Chang, Dylan L. Drescher et al.
Dual-Resonator Organic Microcavities for Triplet-Triplet Annihilation Upconversion
Robert H. Gordon, Rachel C. Kilbride, Michael Hutton et al.
A basis-set-free reference for the exact exchange-energy density and functional development
Alastair J. A. Price