ISC, DOAJ, CAS, Google Scholar......

Document Type : Research Paper

Author

Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo Egypt and October University for Modern Sciences and Arts, 6 October City, Egypt.

Abstract

In this study, the thermodynamic properties of polyvinyl chloride monomer derivatives, PVC with nanoparticles of fullerene, nanotubes and nano cones at room temperature, were studied by DFT method. For this purpose, the materials were first geometric optimized, then the thermodynamic parameters were calculated for all of them. Then, the process of changing the energy-dependent parameters such as specific heat capacity, enthalpy, entropy and Gibbs free energy relative to molecular mass, molecular volume and measured level in this study at a given temperature, were evaluated against each other.

Keywords

[1] Sh. Min, A. F. Wang, A. Yuqi Han, J.Mater. Sci., 429, 966 (2007).
[2 Y. Jia, P. Xiao Huichao, H. Jianyu Yao, F.Liu, Zh. Wang, Y. Li, Applied Surface Science2586627(2012)
[3] F. Denga,Y. Li ,Xu. Luo, L. Yang, Xi. Tu,Colloids and  Surfaces A Physicochem. Eng.
Aspects, 395, 183 (2012).
[4 G. Dugo, L. la Pera, G.L. La Torre, D.Giuffrida, Food Chem., 87, 639 (2004).
[5] F.L. Coco, L. Ceccon, L. Ciraolo, V.Novelli, Food Control, 14, 55 (2003).
[6] T.N.C. Dantas, A.A.D. Neto, M.C.P.A.Moura, E.L.B. Neto, K.R. Forte, R.H.L Leite,
Water Res., 37, 2709 (2003).
[7] L.B. Allen, P.H. Siitonen, H.C. Thompson,J. Am. Oil Chem. Soc., 75, 477 (1998).
[8] Y. Sahan, F. Basoglu, Trace metals in olive oil, V International Symposium on Olive
Growing (2008).
[9] A.D. Hart, C.A. Oboh, I.S. Barimalaa, T.G.Sokari, Afr. J. Food Nutr. Sci., 5, 1 (2005).
[10] M. Yagan Asci, A. Effendioglu, B. Bati,Turk. J. Chem., 32, 431 (2008).
[11] F. Zhu, W. Fan, X. Wang, L. Qu, S. Yao,Food Chem. Toxicol., 49, 3081 (2011).
[12] Food and Agriculture Organization/World Health Organization (FAO/WHO). Summary
and Conclusions of the Fifty-third Meeting of JECFA, Expert Committee on Food Additives.
1-10 June, Rome (1999).
 [13] European Community. European Official Gazette, 11 (2001).
[14] World Health Organization (WHO).Quality Directive of Potable Water. (2nd ed.,pp.197- 199). Geneva: WHO, Geneva (1994).
[15] T. Berg, A. Pedersen, G.A. Pedersen, J.Petersen, C. Madsen, Food Addit. Contam., 17, 189 (2000).
[16] Z. Kowalewska, B. Izgi, S. Saracoglu, S.Gucer, Anal. Chem., 50, 1007 (2005).
[17] Codex Alimentarius Commission. Codex general standard for contaminants and toxins in food and feed. Codex Standard, 193 (1995).
[18] M.D. Garrido, I. Frias, C. Diaz, A.Hardisson, Food Chemistry, 511, 237 (1994).