A Monte Carlo Method for Simulating Drying Temperature of the Gas-Sensing Material Based on Polyacrylonitrile

Tatiana Semenistaya; Nina K. Plugotarenko; Viktor Petrov

doi:10.4028/www.scientific.net/AMM.727-728.145

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HomeApplied Mechanics and MaterialsApplied Mechanics and Materials Vols. 727-728A Monte Carlo Method for Simulating Drying...

A Monte Carlo Method for Simulating Drying Temperature of the Gas-Sensing Material Based on Polyacrylonitrile

Abstract:

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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Periodical:

Applied Mechanics and Materials (Volumes 727-728)

Pages:

145-149

DOI:

https://doi.org/10.4028/www.scientific.net/AMM.727-728.145

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Online since:

January 2015

Authors:

Tatiana Semenistaya*, Nina K. Plugotarenko, Viktor Petrov

Keywords:

Functional Conducting Organic Polyconjugated Polymers, Gas-Sensing Materials, IR-Pyrolysis, Monte Carlo Simulation, Nanocomposite Materials, pan, Quantum-Chemical Calculations, Thin Film

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