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Journal of Nanomaterials
Volume 2013 (2013), Article ID 816285, 7 pages
http://dx.doi.org/10.1155/2013/816285
Research Article

Molecular Dynamics of Film Formation of Metal Tetrasulfonated Phthalocyanine and Poly Amidoamine Dendrimers

1Faculdade de Física-ICEN, Universidade Federal do Pará, C.P. 479, 66075-110 Belém, PA, Brazil
2Centro de Engenharias e Ciências Exatas, Universidade Estadual do Oeste do Paraná, 85903-000 Toledo, PR, Brazil
3Faculdade de Farmácia-ICS, Universidade Federal do Pará, C.P. 479, 66075-110 Belém, PA, Brazil
4Departamento de Química, Campus Universitário—UFLA, Universidade Federal de Lavras, 37200-000 Lavras, MG, Brazil
5Laboratory of Separation Processes and Applied Thermodynamic (TERM@), Faculty of Chemical Engineering-UFPA, C.P. 8619 66075-900 Belém, PA, Brazil

Received 6 November 2012; Accepted 29 January 2013

Academic Editor: Shuangxi Xing

Copyright © 2013 L. G. Silva et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

We performed molecular dynamics computer simulations to elucidate the behavior and properties of the metal tetrasulfonated phthalocyanine molecule and the poly(amidoamine) dendrimers in self-assembly depositions, respectively, on poly(allylamine hydrochloride) polymer and on film formed by metal tetrasulfonated phthalocyanine with poly(allylamine hydrochloride). Important physical properties of phthalocyanines were obtained such as the kinetic energy and temperature in situ. By the semiempirical model, we also obtained the UV-Vis absorption spectrum of the film formed by cobalt tetrasulfonated phthalocyanine deposited on poly(allylamine hydrochloride). We performed a study with poly(amidoamine) dendrimers on their deposition time on metal tetrasulfonated phthalocyanine, poly(allylamine hydrochloride) film, and we show the relationship of deposition time with the electrical charge and molecular mass of phthalocyanines. The deposition times of the dendrimers, as a function of their mass, were also elucidated.