МОДЕЛИРОВАНИЕ КРЕМНИЙСОДЕРЖАЩИХ НАНОЧАСТИЦ НА ПОВЕРХНОСТИ КОМПОЗИЦИОННЫХ ПОКРЫТИЙ НА ОСНОВЕ ЖИДКОГО СТЕКЛА

Иванов В.В.

Кандидат химических наук, доцент, Южно-Российский государственный технический университет (Новочеркасский политехнический институт)

МОДЕЛИРОВАНИЕ КРЕМНИЙСОДЕРЖАЩИХ НАНОЧАСТИЦ НА ПОВЕРХНОСТИ КОМПОЗИЦИОННЫХ ПОКРЫТИЙ НА ОСНОВЕ ЖИДКОГО СТЕКЛА

Аннотация

Представлены результаты комбинаторного моделирования кремнийсодержащих наночастиц на поверхности композиционных покрытий на основе жидкого стекла.

Ключевые слова: наночастица, композиционное покрытие, жидкое стекло.

Ivanov V.V.

PhD in Chemistry, associate professor, South-Russian state Еngineering University (Novocherkassk Polytechnic Institute)

MODELING OF SI-CONTAINING NANOPARTICLES ONTO SURFACE OF THE COMPOSITIONAL COATINGS BASED ON LIQUID GLASS

Abstract

Results of the combinatorial modeling of Si-containing nanoparticles onto surface of the compositional coatings based on liquid glass were presented.

Keywords: nanoparticle, compositional coating, liquid glass.

Nanoparticles availability into the surface layers of the compositional coatings (CC), which based on liquid glass, is one of the main cause for the phenomenon synergism of the CC anti-frictional property and firmness for wear [1-5]. The CC anti-frictional property (the friction coefficient) may be improved thanks to nano particles with spherical and cylindrical forms. In this case nano particles of solid CC component may be regarded as the part of the lubricant composition component [6-10].

The combinatorial modeling results of the possible Si-containing fragments with spherical and cylindrical forms and with characteristic diameter about 0,6-2,0 nm may be presented by next listing:

1) a «spherical» nanoparticles are based on super-tetrahedron:

[Si_nnO_2(nn+1)-z(OH)_z]^(4-z)- (where n = 1, 2; z = 1 ¸ 4);

[Si_2n(n-2)+4O_n(2n+1)-1-z(OH)_z]^{(18(n-1)-4nn-z)-} (where n = 3, 4; z = 1 ¸ 4);

[Si_3n(n-4)+20O_n(3n-5)+6-z(OH)_z]^{(2(19n-34)-6nn-z)-} (where n = 5, 6; z = 1 ¸ 4);

2) a «spherical» nanoparticles are based on peculiar super-tetrahedron:

[Si_2n(n-2)O_n(2n+1)-5-z(OH)_z]^{(2(9n-5)-4nn-z)-} (where n = 3, 4; z = 1 ¸ 6);

[Si_3n(n-4)+16O_n(3-5)+2-z(OH)_z]^{(2(19n-30)-6nn-z)-} (where n = 5, 6; z = 1 ¸ 12);

3) a «spherical» nanoparticles are based on hexahedron:

[Si_8nnO_4(4nn+1)-z(OH)_z]^(8-z)- (where n = 1, 2; z = 1 ¸ 8),

in particular, the nanoparticle with composition [Si₈O₁₂(OH)₈]⁰ as the derivative of the cubic tetramer [Si₈O₂₀]^8-;

4) a «cylindrical» nanoparticles are based on cyclic polymers:

[Si_8nO_4(4n+1)-z(OH)_z]^(8-z)- (where n = 2 ¸ 6 and z = 1 ¸ 8),

including the [Si₈O₁₂(OH)₈]⁰, too;

[Si_mnO_m(2n+1)-z(OH)_z]^(2m-z)- (where m = 3, 4, 5 and n ³ 2; z = 1 ¸ 2m);

[Si_(m1+m2)nO_{(m1+2m2)n+m1+m2-z}(OH)_z]^{(2(m1+m2)-2m1n-z)-}

(where (m₁,m₂)=(3,6),(4,8); n³2; and z=1¸2m₂);

[Si_(m1+m2+m3)nO_{(m1+m2)(n+1)+m3(2n+1)-z}(OH)_z]^{(2(m1+m2+m3)-2(m1+m2)n-z)-}

(where (m₁,m₂,m₃) = (3,6,12); n ³ 2 and z = 1 ¸ 2m₃).

Thus, the possibility of the siliceous containing nanoparticles into the CC surface layers based on liquid glasses and the possible forms of it’s were proposed.