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.

Choice of technological conditions for synthesis of sensing materials based on polyacrylonitrile on flexible substrates

“…The technology of fabrication gas sensitive PAN films that does not require high-tech equipment and the ability to exhibit gas-sensing properties at room temperatures opens the prospect of creating flexible sensors. The gas-sensitive metal-containing PAN thin films have been fabricated [6] that are sensors for detecting to CO, NO2, Cl2, NH3, H2S [7][8][9][10].…”