Investigation of Thermodynamics of its 3-Butadiene Monomeric Derivatives with Nanoparticles of Fullerenes, Nanotubes and Nano Cones at Room Temperature by DFT Method

Kupta, Duddukuru

doi:10.22034/ijnc.2017.35339

Document Type : Research Paper

Author

Duddukuru Kupta

Department of Chemistry, Sri Krishnadevaraya University, Anantapur 515003, Andhra Pradesh, India.

https://doi.org/10.22034/ijnc.2017.35339

Abstract

In this study, trans-3-butadiene monomer derivatives with different carbon nanoparticles of the same mass (mass mass) under different temperature conditions were studied using density functional theory. 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

References

[1] V. Iliev, D. Tomova, S. Rakovsky,Desalination, 26, 101 (2010).

[2] Y. Ma, J. Zhang, B. Tian, F. Chen, L.Wang, J. Hazard. Mater., 182, 386 (2010).

[3] L. Zhang, F. Lv, W. Zhang, R. Li, H.Zhong, Y. Zhao, Y. Zhang, X. Wang, J. Hazard.

Mater., 171, 294 (2009) .

[4] Q. Shen, H. Yang, Q. Xu, Y. Zhu, R. Hao,Mater. Lett. ,64, 442 (2010) .

[5] M. Grätzel, J. Photochem. Photobiol. C,41, 45 (2003).

[6] S.E. Shaheen, C.J. Brabec, F. Padinger,T. Fromherz, J.C. Hummelen, N.S. Sariciftci,Appl. Phys. Lett., 78, 841 (2001) .

[7] F. Wang, S. Min, Y. Han, L. F eng,Superlattice Microstruct., 48, 170 (2010).

[8] Z. Zhang, Y. Yuan, L. Liang, Y. Cheng,H. Xu, G. Shi, L. Jin, Thin Solid Films, 516, 8663 (2008).

[9] J.C. Thiéblemont, A. Brun, J. Marty, M.F. Planche, Polymer, 361, 605 (1995).

[10] A. Alumaa, A. Hallik, V. Sammelselg, J.Tamm, Synth. Met., 157, 485 (2007) .

[11] D. Chowdhury, A. Paul, A. Chattopadhyay,Langmuir 214, 123 (2005) .

[12] K. Inumaru, M. Murashima, T. Kasahara,S. Yamanaka, Appl. Catal. B, 52, 275 (2004).

[13] B.D. Cullity, Elements of X-ray Diffraction, third ed., Addison- Wesley,Reading, MA, 102, 284 (1978).

[14] K. Nagaveni , G. Sivalingam , M.S. Hegde , Giridhar Madras, Solar Applied Catalysis B Environmental, 48, 83 (2004).

[15] B. Wang, Ch. Li, J. Pang, X. Qing, J.Zhai, Q. Li, Applied Surface Science, 258,

9989 (2012).

International Journal of New Chemistry

Investigation of Thermodynamics of its 3-Butadiene Monomeric Derivatives with Nanoparticles of Fullerenes, Nanotubes and Nano Cones at Room Temperature by DFT Method

References

References

Volume 4, Issue 3
September 2017
Pages 86-92

Investigation of Thermodynamics of its 3-Butadiene Monomeric Derivatives with Nanoparticles of Fullerenes, Nanotubes and Nano Cones at Room Temperature by DFT Method

References

References

Volume 4, Issue 3September 2017Pages 86-92

Volume 4, Issue 3
September 2017
Pages 86-92