Peculiarities of the structure and properties of highly cross-linked polymer networks

Аскадский, А.А.

doi:10.1070/rc1998v067n08abeh000387

Cited by 11 publications

(3 citation statements)

References 42 publications

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“…(3) van der Waals volume; (4) density; (5) Hildebrand solubility parameter; (6) surface tension; (7) refractive index; (8) dielectric constant; (9) molar heat capacity in the solid state; (10) molar heat capacity in the liquid state; (11) molar refraction; (12) molar polarizability; (13) total cohesion energy; (14) cohesion energy fraction due to hydrogen bonding; (15) cohesion energy fraction due to dipole-dipole interaction; (16) cohesion energy fraction due to dispersion interaction. The Cascade software is very simple for the user, who has only to draw, on the computer display, the chemical structure of the repeating unit for a linear polymer or that of the repeating fragment for a poly mer network or the molecular structure of the organic liquid considered.…”

Section: Computer Synthesis Of Polymers With Preset Propertiesmentioning

confidence: 99%

“…In the Askadskii-Matveev approach [4][5][6][7][8][9][10][11][12][13][14][15][16][17], the repeating unit of a polymer or the repeating fragment of a polymer network is considered as a set of anharmonic oscillators describing the thermal motion of atoms in the region of intramolecular and intermolecular forces (including weak dispersion forces, dipole-dipole interactions, and hydrogen and valence bonds). The critical temperature of this set of anharmonic oscillators is correlated either with the glass transition temperature or with the onset temper ature of intensive thermal degradation.…”

Section: Introductionmentioning

confidence: 99%

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Methods for calculating the physical properties of polymers

Аскадский

2015

Ref. J. Chem.

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The approaches that derive the best predictions of physical properties of polymers from the chemical structure of their repeating unit are the van Krevelen, Bicerano, and Askadskii-Matveev. The potential of these three approaches is analyzed. All of the approaches are computerized and allow online predictions to be made. The PDTools and SYNTHIA programs are briefly overviewed, and the Cascade software (developed at the Nesmeyanov Institute of Organoelement Compounds) is described in detail. All of the approaches and the corresponding computer programs make it possible to estimate over 120 physical properties of polymers, including their volumetric, thermal, mechanical, thermophysical, optical, dielectric, and barrier properties. Particular attention is focused on the solu bility and miscibility of polymers and on the properties of copolymers, polymer blends, and nanocom posites. The Cascade software provides the means to carry out computer syntheses of polymers with preset properties, the intervals of which are input by the user, and to calculate the dependences of these properties on temperature, plasticizer and nanoparticle concentrations, and nanoparticle size and shape.

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Section: Computer Synthesis Of Polymers With Preset Propertiesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Methods for calculating the physical properties of polymers

Аскадский

2015

Ref. J. Chem.

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“…In the present work, the relaxation properties of polyisocyanurate stepped gradient and single-modulus polymeric materials produced by block casting were investigated, and the stress relaxation processes were described. In such materials, isocyanurate rings with adjacent spacers were used as the crosslinked points, and the role of the linear chains connecting the crosslinked points was played by polypropylene glycol with a molecular weight of 2200 [3,4]. The materials differ considerably in properties from known materials.…”

Section: Introductionmentioning

confidence: 99%