Computer modeling and nanoscopic investigation of the structure and properties of shungite | Mekhanika | kompozitsionnykh | materialov i konstruktsii
> Volume 12 > №4 / 2006 / Pages: 513-529

Computer modeling and nanoscopic investigation of the structure and properties of shungite

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Abstract:

Shungit – carbon matrix composite in which fine particles are uniformly distributed silicate. The component structure of shungite also includes buckyballs. The structure and composition of shungite gives them a number of unusual physical, chemical, physico-chemical and technological properties. The consequence of high shungites compatibility with binders is the ability to create highly filled compositions, including, based on rubber. Structural representation of shungit contradictory, chemical structure and physico-chemical properties described approximately. Requires nanoscale transition to estimate that will describe the structure and properties of the material at atomic level, i.e. “First principles.” In this paper, we discuss the results of direct numerical simulation, within the cluster quantum-mechanical approach, nanostructures shungite and its components. Constructed and analyzed the quantum-mechanical model of the carbon clusters and fullerenes, interacting in particular with a layered “corrugated” carbon substrate C300 (prototypes shungite structure) adsorption complexes silicate particles (fullerenes and carbon substrate C300). The method for dynamic atomic force microscopy studied the microstructure of natural shungite units and prepared by a special technology of nano-sized particles of shungite. The results of the rheological studies and tests of strength shungite-filled rubber compounds and vulcanizates thereof. The estimation of the reinforcing properties of shungite composed of a rubber composite.

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