Papers by Author: Marta M. Falchary

Abstract: In this work was carried out modeling of organic polymer materials for gas sensors on the example of a homogeneous polypyrrole and polyacrylonitrile with metal silver. The implementation was carried out by modeling the Wang-Landau and entropic Monte Carlo simulation based on a model with a fixed valence angle. To simulate the polymerization process using an algorithm based on the principles of irreversible aggregation of Eden. Methods of quantum chemistry has been investigated and the possibility of obtaining property silver-PAN and polypyrrole