The calculations of the dimer, trimer and tetramer molecules of polyacrylonitrile (PAN) using the quantum-chemical method are carried out. The computer simulation of formation of a polymer PAN chain by the Monte-Carlo method taken with the Metropolis and Wang-Landau algorithm is done. Technology of fabrication of gas-sensing material based on metal-containing PAN is developed. Electroconductive metal-containing PAN films are fabricated by method of pyrolysis under the influence of incoherent IR-radiation. Their sensing properties are studied.
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