Conformation characteristics of polymethylene glycolterephthalates

Khalatur, Pavel G.; Stepan'yan, A.Ye.

doi:10.1016/0032-3950(80)90224-5

Cited by 3 publications

(3 citation statements)

References 20 publications

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“…where L 1 , L 2 , and L 3 are the three principal moments of inertia of the gyration tensor of the nanodroplets [38,39]. The three limiting shapes are characterized by the following parameters: i) sphere K 1 = K 2 = 1, ii) ideal rod K 1 = 0, K 2 = 1, and iii) ideal disc K 1 = K 2 = 1/2.…”

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confidence: 99%

Organization of nanoparticles at the polymer brush-solvent interface

Guskova¹,

Pal²,

Seidel³

2009

Europhys. Lett.

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We investigate the organization of nanosized particles in a polymer brush by DPD simulations. The brush is composed of flexible chains grafted by one end to a solid substrate. The polymer-insoluble nanoparticles are treated as rather rigid aggregates of almost spherical form. Varying either the strength of interaction between polymer and nanoparticle beads or the concentration of nanoparticles (i.e., the load by nanoparticles) we observe particle cluster formation in the distal brush region. For low load, in agreement with theoretical predictions we demonstrate that the nanodroplet formed is vertically oriented and exhibits cylinder shape. With increasing concentration the aggregate at the rim of the brush becomes a flattened sphere. For high load, when the droplet-droplet interaction is significant, the cluster becomes highly anisotropic and the horizontally oriented nanodroplet adopts a cylinder (or baguette-like) shape.

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confidence: 99%

Organization of nanoparticles at the polymer brush-solvent interface

Guskova¹,

Pal²,

Seidel³

2009

Europhys. Lett.

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“…[11] To analyze in detail the structure of collapsed state of the copolymer, namely, the average shape of the chain in this state we have calculated the so-called shape factors. [12] They are defined as…”

Section: Semiflexible Attractive B Blocksmentioning

confidence: 99%

AB‐Block Copolymer with Moving B Blocks as a Model for Interpolymer Complexes

Pevnaya

Kramarenko

Khokhlov

2010

Macro Theory & Simulations

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The conformational behavior of a single AB block copolymer is studied by Monte Carlo simulation. The A‐A and A‐B interactions have the character of excluded volume interactions while the B units attract each other; the attractive B blocks can move along the chain. The collapse transition of the chain with increasing attraction between the B units is analyzed. Intrachain separation of the A and B units takes place in the course of the chain collapse with the formation of “globule with a tail” conformations. The globule is formed by the attractive moving B blocks while the tail consists of the swollen A segments. The model of AB block copolymer with moving B blocks can describe the behavior of interpolymer complexes between a long macromolecule and shorter polymer chains.magnified image

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“…where L 1 , L 2 , L 3 are the three principal moments of the gyration tensor, characterize the overall shape of a chain conformation. [55] The values K 1 ¼ K 2 ¼ 1 correspond to a perfect sphere, while an infinitely thin rod has the values K 1 ¼ 0, K 2 ¼ 1, and an infinitely thin disk…”

Section: Model and Simulation Techniquementioning

confidence: 99%

Monte Carlo Computer Simulation of a Single Semi‐Flexible Macromolecule at a Plane Surface

Иванов

Martemyanova

2007

Macromolecular Symposia

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The properties of a single semiflexible mushroom chain at a plane surface with a long-ranged attracting potential are studied by means of lattice Monte Carlo computer simulation using the bond fluctuation model, configurational bias algorithm for chain re-growing and the Wang-Landau sampling technique. We present the diagram of states in variables temperature T vs. strength of the adsorption potential, e w , for a quite short semiflexible chain consisting of N ¼ 64 monomer units. The diagram of states consists of the regions of a coil, liquid globule, solid isotropic globule, adsorbed coil and cylinder-like liquid-crystalline globule. At low values of the adsorption strength e w the coil-globule and the subsequent liquid-solid globule transitions are observed upon decreasing temperature below the adsorption transition point. At high values of e w these two transitions change into a single transition from an adsorbed coil to a cylinder-like liquid-crystalline solid globule. We conclude that for a semiflexible chain the presence of a plane attracting surface favors the formation of a globule with internal liquid-crystalline ordering of bonds.

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Conformation characteristics of polymethylene glycolterephthalates

Cited by 3 publications

References 20 publications

Organization of nanoparticles at the polymer brush-solvent interface

Organization of nanoparticles at the polymer brush-solvent interface

AB‐Block Copolymer with Moving B Blocks as a Model for Interpolymer Complexes

Monte Carlo Computer Simulation of a Single Semi‐Flexible Macromolecule at a Plane Surface

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