Nano Structures and Its Thermodynamic Properties Using TIM
Affiliation(s)
1 Department of Physics, Islamic Azad University-Central Tehran Branch (IAUCTB), Tehran, Iran. 2 Departments of Mathematics, Islamic Azad University-Science and Research Branch (IAUSRB), Tehran, Iran. 3 Departments of Chemical Engineering, Islamic Azad University-North Tehran Branch (IAUNTB), Tehran, Iran.
1 Department of Physics, Islamic Azad University-Central Tehran Branch (IAUCTB), Tehran, Iran. 2 Departments of Mathematics, Islamic Azad University-Science and Research Branch (IAUSRB), Tehran, Iran. 3 Departments of Chemical Engineering, Islamic Azad University-North Tehran Branch (IAUNTB), Tehran, Iran.
ABSTRACT
Manufacturing parts in nanoscale and investigating their properties has involved some limitations, and in some cases it is practically impossible; therefore, scholars have recently focused on micro-parts in natural scale, which has led to the advent of the field of nanostructures. Phenacenes with formula C4n+2H2n+4 are a family of organic molecules which have received a lot of attention in nanoscale. However, investigating the thermodynamic properties is highly expensive, especially when there are more than 6 loops. The present study was conducted in order to predict the thermodynamic properties of phenacenes family bu using Topological Indices Method (TIM). Topological index is a numeral molecular graph which is referred to as molecular graph. This number indicates some molecular properties. One of the topological indices is RRR which is investigated and measured in phenacenes family. Afterwards, by calculating Heat of Formation and Gibbs Energy for some members of this family and comparing them with data provided by valid articles, we could propose an appropriate model to predict some thermodynamic properties of this family.
Manufacturing parts in nanoscale and investigating their properties has involved some limitations, and in some cases it is practically impossible; therefore, scholars have recently focused on micro-parts in natural scale, which has led to the advent of the field of nanostructures. Phenacenes with formula C4n+2H2n+4 are a family of organic molecules which have received a lot of attention in nanoscale. However, investigating the thermodynamic properties is highly expensive, especially when there are more than 6 loops. The present study was conducted in order to predict the thermodynamic properties of phenacenes family bu using Topological Indices Method (TIM). Topological index is a numeral molecular graph which is referred to as molecular graph. This number indicates some molecular properties. One of the topological indices is RRR which is investigated and measured in phenacenes family. Afterwards, by calculating Heat of Formation and Gibbs Energy for some members of this family and comparing them with data provided by valid articles, we could propose an appropriate model to predict some thermodynamic properties of this family.
Cite this paper
Khakpoor, A. , Keshe, B. and Kesheh, A. (2015) Nano Structures and Its Thermodynamic Properties Using TIM. Journal of Materials Science and Chemical Engineering, 3, 1-6. doi: 10.4236/msce.2015.311001.
Khakpoor, A. , Keshe, B. and Kesheh, A. (2015) Nano Structures and Its Thermodynamic Properties Using TIM. Journal of Materials Science and Chemical Engineering, 3, 1-6. doi: 10.4236/msce.2015.311001.
References
[1] Wang, Z.L. (2004) Zinc Oxide Nanostructures: Growth, Properties and Applications. Journal of Physics: Condensed Matter, 16, R829-R858.
http://dx.doi.org/10.1088/0953-8984/16/25/R01 [2] Baladié, I. and Buzdin, A. (2003) Thermodynamic Properties of Ferromagnet/Superconductor/Ferromagnet Nanostructures. Physical Review B, 67, Article ID: 014523.
http://dx.doi.org/10.1103/PhysRevB.67.014523 [3] Waser, R. (2012) Nanoelectronics and Information Technology. 3rd Edition, WILEY-VCH. [4] Patolsky, F., Timko, B.P., Zheng, G. and Lieber, C.M. (2007) Nanowire-Based Nanoelectronic Devices in the Life Sciences. MRS Bulletin, Cambridge University Press, Cambridge. [5] Khakpoor, A.A. (2015) Prediction Electronic and Physical Properties of Nano Structures; Topological Index Method. International Journal of Advanced Research, 3, 1536-1540. [6] Khakpoor, A.A. and Agahi Keshe, B. (2015) Electronic and Optical Properties of Nanostructures and Its Relationship with Harari Index. Journal of Materials Science and Chemical Engineering, 3, 8.
http://dx.doi.org/10.4236/msce.2015.38001 [7] Khakpoor, A.A. and Agahi Keshe, B. (2015) Some Electronic and Optical Properties of Nanostructures Using the First Zagreb Index. International Journal of Advanced Research, 3, 548-551. [8] Khakpoor, A.A. and Agahi Keshe, B. (2015) Determination of Physical-Chemical Properties of Titanium Organic Compounds Using Topological Indices; QSPR techniques. International Journal of Current Research, 7, 15686. [9] Khakpoor, A.A. and Agahi Keshe, B. (2015) The Relation between Total π Electron Energy of Linear Acenes as Nanostructures and Topological Indices. Journal of Computational and Theoretical Nanoscience, Accepted for Published. [10] Khakpoor, A.A. and Agahi Keshe, B. (2015) Physical and Electro-Optical Properties of Rylenes as Nanostructures Using Topological Indices Method. Journal of Nanoelectronics and Optoelectronics, Accepted for Published. [11] Wiener, H. (1947) Structural Determination of Paraffin Boiling Points. Journal of the American chemical Society, 69, 17-20.
http://dx.doi.org/10.1021/ja01193a005 [12] Vukicevic, D. and Gasperov, M. (2010) Bond Additive Modeling 1. Adriatic Indices. Croat. Chem. Acta., 83, 3, 243- 260. [13] Trinajstic, N. (1992) Chemical Graph Theory. 2nd Edition, CRC Press, Boca Raton. [14] Ezra, G.S. (1982) Lecture Notes in Chemistry. Springer, Germany.
[1] Wang, Z.L. (2004) Zinc Oxide Nanostructures: Growth, Properties and Applications. Journal of Physics: Condensed Matter, 16, R829-R858.
http://dx.doi.org/10.1088/0953-8984/16/25/R01 [2] Baladié, I. and Buzdin, A. (2003) Thermodynamic Properties of Ferromagnet/Superconductor/Ferromagnet Nanostructures. Physical Review B, 67, Article ID: 014523.
http://dx.doi.org/10.1103/PhysRevB.67.014523 [3] Waser, R. (2012) Nanoelectronics and Information Technology. 3rd Edition, WILEY-VCH. [4] Patolsky, F., Timko, B.P., Zheng, G. and Lieber, C.M. (2007) Nanowire-Based Nanoelectronic Devices in the Life Sciences. MRS Bulletin, Cambridge University Press, Cambridge. [5] Khakpoor, A.A. (2015) Prediction Electronic and Physical Properties of Nano Structures; Topological Index Method. International Journal of Advanced Research, 3, 1536-1540. [6] Khakpoor, A.A. and Agahi Keshe, B. (2015) Electronic and Optical Properties of Nanostructures and Its Relationship with Harari Index. Journal of Materials Science and Chemical Engineering, 3, 8.
http://dx.doi.org/10.4236/msce.2015.38001 [7] Khakpoor, A.A. and Agahi Keshe, B. (2015) Some Electronic and Optical Properties of Nanostructures Using the First Zagreb Index. International Journal of Advanced Research, 3, 548-551. [8] Khakpoor, A.A. and Agahi Keshe, B. (2015) Determination of Physical-Chemical Properties of Titanium Organic Compounds Using Topological Indices; QSPR techniques. International Journal of Current Research, 7, 15686. [9] Khakpoor, A.A. and Agahi Keshe, B. (2015) The Relation between Total π Electron Energy of Linear Acenes as Nanostructures and Topological Indices. Journal of Computational and Theoretical Nanoscience, Accepted for Published. [10] Khakpoor, A.A. and Agahi Keshe, B. (2015) Physical and Electro-Optical Properties of Rylenes as Nanostructures Using Topological Indices Method. Journal of Nanoelectronics and Optoelectronics, Accepted for Published. [11] Wiener, H. (1947) Structural Determination of Paraffin Boiling Points. Journal of the American chemical Society, 69, 17-20.
http://dx.doi.org/10.1021/ja01193a005 [12] Vukicevic, D. and Gasperov, M. (2010) Bond Additive Modeling 1. Adriatic Indices. Croat. Chem. Acta., 83, 3, 243- 260. [13] Trinajstic, N. (1992) Chemical Graph Theory. 2nd Edition, CRC Press, Boca Raton. [14] Ezra, G.S. (1982) Lecture Notes in Chemistry. Springer, Germany.