Conformations of Amphiphilic Diblock Star Copolymers

We present results of Monte Carlo study of the monomer-monomer correlation functions, static structure factor and asphericity characteristics of a single homopolymer in the coil and globular states for three distinct architectures of the chain: ring, open and star. To rationalise the results we introduce the dimensionless correlation functions rescaled via the corresponding mean-squared distances between monomers. For flexible chains with some architectures these functions exhibit a large degree of universality by falling onto a single or several distinct master curves. In the repulsive regime, where a stretched exponential times a power law form (de Cloizeaux scaling) can be applied, the corresponding exponents δ and θ have been obtained. The exponent δ = 1/ν is found to be universal for flexible strongly repulsive coils and in agreement with the theoretical prediction from improved higher-order Borel-resummed renormalisation group calculations. The short-distance exponents θυ of an open flexible chain are in a good agreement with the theoretical predictions in the strongly repulsive regime also. However, increasing the Kuhn length in relation to the monomer size leads to their fast cross-over towards the Gaussian behaviour. Likewise, a strong sensitivity of various exponents θij on the stiffness of the chain, or on the number of arms in star polymers, is observed. The correlation functions in the globular state are found to have a more complicated oscillating behaviour and their degree of universality has been reviewed. Average shapes of the polymers in terms of the asphericity characteristics, as well as the universal behaviour in the static structure factors, have been also investigated.PACS numbers: 36.20.Ey, 61.25.Hq

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“…We refer the reader for notations, further details and previous results on stars to our preceding work in Ref. 17.…”

Section: E Star Polymersmentioning

confidence: 69%

“…The current coarse-grained homopolymer model is based on the following Hamiltonian (energy functional) [15][16][17] in terms of the monomer coordinates, X i :…”

Section: Modelmentioning

confidence: 99%

Intrachain correlation functions and shapes of homopolymers with different architectures in dilute solution

Timoshenko

Kuznetsov

Connolly

2002

The Journal of Chemical Physics

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“…This yields the self-consistent equations 29 , which in the absence of the hydrodynamic interactions are,…”

Section: B the Gaussian Self-consistent Methodsmentioning

confidence: 99%

“…The current coarse-grained homo-dendrimer model is based on the following Hamiltonian (energy functional) 30,29,33 in terms of the monomer coordinates, X i :…”

Section: Model and Notationsmentioning

confidence: 99%

Conformations of dendrimers in dilute solution

Timoshenko

Kuznetsov

Connolly

2002

The Journal of Chemical Physics

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Conformations of isolated homo-dendrimers of G = 1 − 7 generations with D = 1 − 6 spacers have been studied in the good and poor solvents, as well as across the coil-to-globule transition, by means of a version of the Gaussian self-consistent (GSC) method and Monte Carlo (MC) simulation in continuous space based on the same coarse-grained model. The latter includes harmonic springs between connected monomers and the pair-wise Lennard-Jones potential with a hard core repulsion. The scaling law for the dendrimer size, the degrees of bond stretching and steric congestion, as well as the radial density, static structure factor, and asphericity have been analysed. It is also confirmed that while smaller dendrimers have a dense core, larger ones develop a hollow domain at some separation from the centre.PACS numbers: 36.20.Ey, 61.25.Hq

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“…The behaviour of amphiphilic block-copolymer stars in selective solvents is definitely of greater interest [60]. For the sake of argument, we assume the solvent to be water, and the star arms to be made by two blocks of equal length comprising hydrophobic beads (H-beads) and polar beads (P-beads).…”

Section: Star Polymers In a Poor Solvent And Amphiphilic Block-copolymentioning

confidence: 99%

Conformations and Dynamics of Stars and Dendrimers: The Gaussian Self-Consistent Approach

Ganazzoli

2002

Condens. Matter Phys.

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Some conformational and dynamical aspects of branched polymer are reviewed. We discuss the theoretical Gaussian Self-Consistent (GSC) approach proposed in our group and used to study the behaviour of regular star polymers and dendrimers in different solvent conditions. Within a single framework, we consider the unperturbed Θ state, as well as the goodsolvent state in comparison with other theoretical or simulation approaches, and with some experimental results. We also briefly report the further results obtained for amphiphilic copolymer stars in selective solvents so as to highlight the potentialities of the method, as well as its strengths and its shortcomings.

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Conformations of Amphiphilic Diblock Star Copolymers

Cited by 35 publications

References 20 publications

Intrachain correlation functions and shapes of homopolymers with different architectures in dilute solution

Intrachain correlation functions and shapes of homopolymers with different architectures in dilute solution

Conformations of dendrimers in dilute solution

Conformations and Dynamics of Stars and Dendrimers: The Gaussian Self-Consistent Approach

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