Review of some Properties of Ionic Liquids/Carbon Nanotubes Using Molecular Dynamic Simulation

Document Type : Original Article

Author

Department of Physical Chemistry, School of Chemistry, College of Science, University of Tehran, Tehran, Iran

Abstract

Ionic liquids which are known as green solvents have specific physical and chemical properties and include great potential applications in various industries. In other hand, carbon nanotubes due to their outstanding mechanical, thermal and electronic properties have been extensively studied during the last two decades. It has been indicated that the systems containing ionic liquids and other components such as nanostructures and carbon nanotubes have properties which have reduplicated the importance of ionic liquids and carbon nanotubes. In the present paper, recent investigations on the systems containing various ionic liquids and carbon nanotubes by molecular dynamics simulation is reviewed and simulation details and computational methods for performing molecular dynamics simulation of some systems are presented. Using molecular dynamics simulation, it can be demonstrated how ionic liquids disperse the carbon nanotubes. Also, molecular dynamics simulation can be used for investigating the structural and dynamical behaviors of confined ionic liquids inside the carbon nanotubes.

Graphical Abstract

Review of some Properties of Ionic Liquids/Carbon Nanotubes Using Molecular Dynamic Simulation

Keywords

References

[1] S.M. Fatemi, M. Foroutan, Besparesh, 5, 4 (2015).
[2] Xu, Y.-Q.; Flor, E.; Kim, M. J.; Hamadani, B.; Schmidt, H.; Smalley, R. E.; Hauge, R. H., J. Am. Chem. Soc.128, 6560 (2006).
[3] M. Foroutan, A. Taghavi N, Desalination 15 , 236 (2011).
[4] S.M. Fatemi, M. Foroutan, J. Theor. Comput. Chem., 13, 1450063 (2014).
[5] S.M. Fatemi, M. Foroutan, J. Nanostruct. Chem., 5, 243 (2015).
[6] M. Foroutan, A. Taghavi N. J. Phys. Chem. B114, 15429 (2010).
[7] S.M. Fatemi, M. Foroutan, J. Iran. Chem. Soc., 12, 1905 (2015).
[8] S.M. Fatemi, M. Foroutan, J. Iran. Chem. Soc., 14, 269 (2017).
[9] BRH de Aquino, M Neek-Amal, MV Milošević,  Sci. Rep. 7 , 13481 (2017).
[10] S Motahari, F Shayeganfar, M Neek-Amal Solid State Com. 152, 225 (2012).
[11] S. Liang, Y. Zhao, A. Adronov, J. Am. Chem. Soc., 136, 970 (2014).
[12] Fukushima, T.; Kosaka, A.; Ishimura, Y.; Yamamoto, T.; Takigawa, T.; Ishii, N.; Aida, T., Molecular Ordering of Organic Molten Salts Triggered by Single-Walled Carbon Nanotubes. Science 2003,300 (5628), 2072-2074.
[13] F. Jensen, Introduction to Computational Chemistry, John Wiley & Sons Ltd, England, 2 edition, 599 (2007).
[14] C.J. Cramer, Essentials of Computational Chemistry: Theories and Models, Wiley, 2 edition, 618 (2004).
[15] R. H. Baughman, A. A. Zakhidov, W.A. de Heer, Science, 297, 787-792 (2002).
[16] T. Fukushima, A. Kosaka Y. Ishimura T. Yamamoto, T. Takigawa, N. Ishii, T. Aida, Science, 300, 2072 (2003).
[17] T. Fukushima, T. Aida, Chem. Eur. J., 13, 5048 (2007).
[18] J. Wang, H. Chu, Y. Li, ACS Nano, 2, 2540 (2008).
[19] Y. Shim, H.J. Kim, ACS Nano, 3, 1693 (2009).
[20] T. Ohba, V. V. Chaban, J. Phys. Chem. B, 118, 6234 (2014).
[21] M. Mohammadi, M. Foroutan, Phys. Chem. Chem. Phys., 15, 2482 (2013).
[22] M. Foroutan, M. Mohammadi, Journal of Molecular Liquids 193, 60 (2014).
[23] M. Alibalazadeh, M. Foroutan, J.  Mol. Model, 21, 168 (2015).
[24] K. Dong, G. Zhou, X. Liu, X. Yao, S. Zhang, J. Phys. Chem. C, 113, 10013 (2009).
[25] R. Singh, J. Monk, F.R. Hung, J. Phys. Chem. C, 114, 15478 (2010).
[26] M.A. Balazadeh, M. Foroutan, Fluid Phase Equilibria. 356, 63 (2013).
 
 
Iranian Journal of Chemistry
Volume 2, Issue 2 - Serial Number 3
February 2020
Pages 179-186

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History

  • Receive Date: 11 February 2019
  • Revise Date: 27 May 2019
  • Accept Date: 01 March 2020

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