Simulating the Fluctuation-Induced Suppression of the Order-Disorder Transition in an Asymmetric Diblock Copolymer Melt

Simulating the Fluctuation-Induced Suppression of the Order-Disorder Transition in an Asymmetric Diblock Copolymer Melt
Author: Jeffrey Roberts
Publisher:
Total Pages:
Release: 2018
Genre:
ISBN:

Mean-field theory predicts the phase behaviour of block copolymers with a great deal of success, however it systematically overestimates the order-disorder temperature (ODT) due to its inaccurate treatment of fluctuations in the disordered phase. We use Monte Carlo simulation to simulate a fluctuating melt of asymmetric diblock copolymers, and systematically investigate the suppression of the ODT as we decrease the invariant degree of polymerization, N̄, from 106 to 105. Using thermodynamic integration, we compare the ordered BCC sphere phase free energy to that of the disordered phase to locate the ODT. In the low-temperature regime of the disordered phase, we observe and characterize a disordered liquid of micelles that is stabilized by the inclusion of fluctuations in our simulation. We find that decreasing N̄ causes a suppression of the ODT that is in good agreement with a theory where fluctuations are incorporated on a single-mode Hartree level.

Complex Systems

Complex Systems
Author: Michio Tokuyama
Publisher: American Institute of Physics
Total Pages: 858
Release: 2008-03-10
Genre: Computers
ISBN:

Sendai, Japan, 25-28 September 2007

Effect of Molecular Weight of Added Polystyrene on the Order-Disorder Transition of Styrene-Butadiene Diblock Copolymer

Effect of Molecular Weight of Added Polystyrene on the Order-Disorder Transition of Styrene-Butadiene Diblock Copolymer
Author: S. Nojima
Publisher:
Total Pages: 56
Release: 1987
Genre:
ISBN:

The change in the order disorder transition temperature of block copolymer, induced by the addition of homopolymer, is investigated. Analysis of the theoretical expression based on the random phase approximation shows that the direction of the change in the transition temperature is determined by the length of the added homopolymer in relation to the length of the block copolymer and the overall composition of the monomers in the mixture. Small-angle x ray scattering measurements are performed with mixtures containing a styrene butadiene diblock copolymer and a polystyrene of various molecular weight. The observed shape of the scattered intensity curve, the angular position of the peak intensity, and the spinodal temperature for the micro-phase separation all agree well with the prediction from the theory. The values of the interaction energy density determined from the results agree fairly well with values determined previously from cloud point data. Keywords. Block copolymer, Order disorder transition, Miscibility, Polystyrene, Styrene butadiene block copolymer, Small angle X ray scattering.

Modeling and Simulation of Crystallization Processes in Polymer Melt Flows

Modeling and Simulation of Crystallization Processes in Polymer Melt Flows
Author: Stefan Descher
Publisher: BoD – Books on Demand
Total Pages: 162
Release: 2020-01-01
Genre: Technology & Engineering
ISBN: 3737608776

Describing crystallization processes in polymer melt flows involves many effects. Objective of this work is to capture a selection in a simulation environment, for a certain material, starting from executing experiments on. This means aspects of experimental investigations, modeling and special numerical methods used to create a simulation environment will be highlighted. Because this involves many fields, works covering all aspects are rare1. It is intended to contribute such a work by the publication of this thesis.

Soft-Matter Characterization

Soft-Matter Characterization
Author: Redouane Borsali
Publisher: Springer Science & Business Media
Total Pages: 1490
Release: 2008-07-28
Genre: Science
ISBN: 140204464X

This 2-volume set includes extensive discussions of scattering techniques (light, neutron and X-ray) and related fluctuation and grating techniques that are at the forefront of this field. Most of the scattering techniques are Fourier space techniques. Recent advances have seen the development of powerful direct imaging methods such as atomic force microscopy and scanning probe microscopy. In addition, techniques that can be used to manipulate soft matter on the nanometer scale are also in rapid development. These include the scanning probe microscopy technique mentioned above as well as optical and magnetic tweezers.