Simulation of Formation Process of Conductive Organic Polymeric Materials for Gas Sensor Systems

Marta M. Falchary; Nina K. Plugotarenko; Victor V. Petrov

doi:10.4028/www.scientific.net/AMR.838-841.3273

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 838-841Simulation of Formation Process of Conductive...

Simulation of Formation Process of Conductive Organic Polymeric Materials for Gas Sensor Systems

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

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Periodical:

Advanced Materials Research (Volumes 838-841)

Pages:

3273-3276

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.838-841.3273

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Online since:

November 2013

Authors:

Marta M. Falchary*, Nina K. Plugotarenko, Victor V. Petrov

Keywords:

Hartree-Fock Energy, Mathematical Modeling, Methods of Monte Carlo, Organic Polymeric Materials, Quantum-Chemical Calculations, Semiconductor Gas-Sensitive Materials

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References

[1] Parsons D.F., Williams D.R.M. An off-lattice Wang–Landau study of the coil-globule and melting transitions of a flexible homopolymer / J. Chem. Phys. 2006. 124. 221103.

DOI: 10.1063/1.2209684

Google Scholar

[2] . Georgiou T.K., Vamvakaki M., Patrickios C.S. et al. Nanoscopic cationic metacrilate star homopolymers: synthesis by group transfer polymerization, characterization and evaluation as transfection reagents / Biomacromolecules. 2004. 5 N 6. 2221–2229.

DOI: 10.1021/bm049755e

Google Scholar

[3] Georgiou T.K., Vamvakaki M., Phylactou L.A., Patrickios C.S. Synthesis, characterization and evaluation as transfection reagents of double-hydrophilic star copolymers: effect of star architecture / Biomacromolecules. 2005 6, N 6. 2290–2997.

DOI: 10.1021/bm050307w

Google Scholar

[4] Wang F., Landau D.P. Efficient, multiple-range random walk algorithm to calculate the density of states / Phys. Rev. Lett. 2001. 86. 2050-(2053).

DOI: 10.1103/physrevlett.86.2050

Google Scholar

[5] Aryal S., Prabaharana M., Pilla S., Gonga S. Biodegradable and biocompatible multi-arm star amphiphilic block copolymer as a carrier for hydrophobic drug delivery / Int. J. of Biological Macromolecules. 2009. 44 346–352.

DOI: 10.1016/j.ijbiomac.2009.01.007

Google Scholar