A study for the static properties of symmetric linear multiblock copolymers under poor solvent conditions

Abstract

We use a standard bead-spring model and molecular dynamics simulations to study the static properties of symmetric linear multiblock copolymer chains and their blocks under poor solvent conditions in a dilute solution from the regime close to theta conditions, where the chains adopt a coil-like formation, to the poorer solvent regime where the chains collapse obtaining a globular formation and phase separation between the blocks occurs. We choose interaction parameters as is done for a standard model, i.e., the Lennard-Jones fluid and we consider symmetric chains, i.e., the multiblock copolymer consists of an even number $n$ of alternating chemically different A and B blocks of the same length $N_A=N_B=N$. We show how usual static properties of the individual blocks and the whole multiblock chain can reflect the phase behavior of such macromolecules. Also, how parameters, such as the number of blocks $n$ can affect properties of the individual blocks, when chains are in a poor solvent for a certain range of $n$. A detailed discussion of the static properties of these symmetric multiblock copolymers is also given. Our results in combination with recent simulation results on the behavior of multiblock copolymer chains provide a complete picture for the behavior of these macromolecules under poor solvent conditions, at least for this most symmetrical case. Due to the standard choice of our parameters, our system can be used as a benchmark for related models, which aim at capturing the basic aspects of the behavior of various biological systems.

13 pages, 11 figures

References in corpus (9)

• Computer simulation of bottle brush polymers with flexible backbone: Good solvent versus Theta solvent conditions
• Transport phenomena and microscopic structure in partially miscible binary fluids: A simulation study of the symmetrical Lennard-Jones mixture
• Intramolecular Form Factor in Dense Polymer Systems: Systematic Deviations from the Debye formula
• Mesophase formation in two-component cylindrical bottle-brush polymers
• Collapse dynamics of copolymers in a poor solvent: Influence of hydrodynamic interactions and chain sequence
• Microphase separation in linear multiblock copolymers under poor solvent conditions
• Intra-Globular Structures in Multiblock Copolymer Chains from a Monte Carlo Simulation
• Phase behavior of symmetric linear multiblock copolymers
• Analysis of the static properties of cluster formations in symmetric linear multiblock copolymers

Cited by in corpus (3)

• Molecular dynamics simulations of single-component bottle-brush polymers with a flexible backbone under poor solvent conditions
• Phase behaviour of two-component bottle-brush polymers with flexible backbones under poor solvent conditions
• Scaling properties of diblock copolymers: dynamic simulations study