Home Monte Carlo simulation of ionic conductivity in polyethylene oxide
Article
Licensed
Unlicensed Requires Authentication

Monte Carlo simulation of ionic conductivity in polyethylene oxide

  • Pei Ling Cheang EMAIL logo , Yee Ling Yap , Lay Lian Teo , Eng Kiong Wong , Ah Heng You and Hisham Hanapei
Published/Copyright: September 9, 2013
Become an author with De Gruyter Brill
Submit Manuscript Author Information
Journal of Polymer Engineering
From the journal Journal of Polymer Engineering Volume 33 Issue 8

Abstract

A Monte Carlo (MC) model to incorporate the effect of Al2O3 with different particle sizes in enhancing the ionic conductivity of composite polymer electrolytes consisting of polyethylene oxide (PEO), lithium trifluoromethanesulfonate (LiCF3SO3), and ethylene carbonate (EC), is proposed. The simulated ionic conductivity in our MC model is validated by the results of electrochemical impedance spectroscopy, which determined the room temperature ionic conductivity of various composite electrolyte samples differing from the size of the Al2O3 prepared via the solution cast method. With the simulated current density and recurrence relation, cation transference numbers, t+si of composite polymer electrolytes were derived using the steady-state current method proposed by Bruce et al. Addition of Al2O3 (≤10 μm) in micron size greatly enhances the ionic conductivity to a magnitude of two orders, i.e., from 2.9025×10-7 S/cm to 2.970×10-5 S/cm and doubles the cation transference number from 0.230 to 0.465. However, the addition of Al2O3 (<50 nm) in nano size decreases both the ionic conductivity and the cation transference number. The smaller size of Al2O3 in the nano range is responsible for the congestion on the conducting pathways that traps some of the Li+ in PEO electrolytes.

Keywords: filler; ionic conductivity; Monte Carlo; polyethylene oxide; transference number
Corresponding author: Pei Ling Cheang, Centre for Advanced Materials and Green Technologies, Faculty of Engineering and Technology, Multimedia University, Jalan Ayer Keroh Lama, 75450 Melaka, Malaysia, e-mail:

The authors gratefully acknowledge the TM R & D Sdn. Bhd. for the financial support under TMRnD (RDTC/110786) research project funding.

References

[1] Armand MB, Chabagno JM, Duclot MJ. Poly-ethers as Solid Electrolytes, Elsevier: Philidelphia, 1979.Search in Google Scholar

[2] Devaux D, Bouchet R, Glé D, Denoyel R. Solid State Ionics. 2012, 227, 119–127.Search in Google Scholar

[3] Suriani I, Siti Mariah MY, Roslina A, Mohd Rafie J. Solid State Sci. 2012, 14, 1111–1116.Search in Google Scholar

[4] Maitra A, Heuer A. Phys. Rev. Lett. 2007, 98, 227802.Search in Google Scholar

[5] Kumar A, Saikia D. In Mohammad F Specialty Polymers: Materials and Applications, Faiz Mohammad, Ed., I. K. International Publishing House Pvt. Ltd: New Delhi, India, 2007, 441–447.Search in Google Scholar

[6] Croce F, Persi L, Scrosati B, Serraino-Fiory F, Plichta E, Hendrickson MA. Electrochim. Acta. 2001, 46, 2457–2461.Search in Google Scholar

[7] Dissanayake MAKL, Jayathilaka PARD, Bokalawala RSP, Albinsson I, Mellander BE. J. Power Sources 2003, 119–121, 409–414.10.1016/S0378-7753(03)00262-3Search in Google Scholar

[8] Druger SD, Nitzan A, Ratner MA. J. Chem. Phys. 1983, 79, 3133–3142.Search in Google Scholar

[9] Wagner A, Kliem H. J. Appl. Phys. 2002, 91, 6638–6648.Search in Google Scholar

[10] Scarle S, Sterzel M, Eilmes A, Munn RW. J. Chem. Phys. 2005, 123, 154909.Search in Google Scholar

[11] Gray FM. Solid Polymer Electrolytes: Fundamentals and Technological Application, Wiley-VCH: New York, USA, 1991.Search in Google Scholar

[12] Riley M, Peter SF, Saad AK. J. Electrochem. Soc. 2002, 149, A667–A674.Search in Google Scholar

[13] Shin JH, Lim YT, Kim KW, Ahn HJ, Ahn JH. J. Power Sources 2002, 107, 103–109.10.1016/S0378-7753(01)00990-9Search in Google Scholar

[14] Cheang PL, Teo LL, Wong EK, You AH. 2012 4thInt. Conf. on Solid State Sci. and Techn.Search in Google Scholar

[15] Bruce PG, Vincent CA. J. Electroanal. Chem. 1987, 255, 1–17.Search in Google Scholar

[16] Walls HJ, Zawodzinski TA. Electrochem. Solid-State Lett. 2000, 3, 321–324.Search in Google Scholar

[17] Yap YL, You AH, Teo LL, Hanapei H. Int. J. Electrochem. Sci. 2013, 8, 2154–2163.Search in Google Scholar

[18] Liu Y, Lee JY, Hong L. J. Power Sources 2002, 109, 507–514.10.1016/S0378-7753(02)00167-2Search in Google Scholar

[19] Jeon JD, Kim MJ, Kwak SY. J. Power Sources 2006, 162, 1304–1311.10.1016/j.jpowsour.2006.08.022Search in Google Scholar

Received: 2013-6-25
Accepted: 2013-8-15
Published Online: 2013-09-09
Published in Print: 2013-11-01

©2013 by Walter de Gruyter Berlin Boston

Articles in the same Issue

  1. Masthead
  2. Masthead
  3. Original articles
  4. Grafting of maleic anhydride on polypropylene by reactive extrusion: effect of maleic anhydride and peroxide concentrations on reaction yield and products characteristics
  5. An optical system for measuring the residence time distribution in co-rotating twin-screw extruders
  6. Effect of processing technology on the morphological, mechanical and electrical properties of conductive polymer composites
  7. Thermodynamic modeling of polyamide-6 (PA-6)/cellulose acetate (CA) blend membrane prepared via casting technique
  8. Monte Carlo simulation of ionic conductivity in polyethylene oxide
  9. Impact fracture toughness and morphology of polypropylene/Mg(OH)2 composites
  10. High impact toughness of polyamide 6/poly (vinylidene fluoride) blends induced by an ionic liquid
  11. Application of chemically-cross-linked chitosan for the removal of Reactive Black 5 and Reactive Yellow 84 dyes from aqueous solutions
  12. Flame retardation behaviors of UV-curable phosphorus-containing PU coating system
  13. Preparation and characterization of modified chitosan for in vitro controlled release of vitamin B12
  14. Surface modification of nano-alumina and its application in preparing polyacrylate water-based wood coating
https://doi.org/10.1515/polyeng-2013-0147
Keywords for this article
filler; ionic conductivity; Monte Carlo; polyethylene oxide; transference number

Articles in the same Issue

  1. Masthead
  2. Masthead
  3. Original articles
  4. Grafting of maleic anhydride on polypropylene by reactive extrusion: effect of maleic anhydride and peroxide concentrations on reaction yield and products characteristics
  5. An optical system for measuring the residence time distribution in co-rotating twin-screw extruders
  6. Effect of processing technology on the morphological, mechanical and electrical properties of conductive polymer composites
  7. Thermodynamic modeling of polyamide-6 (PA-6)/cellulose acetate (CA) blend membrane prepared via casting technique
  8. Monte Carlo simulation of ionic conductivity in polyethylene oxide
  9. Impact fracture toughness and morphology of polypropylene/Mg(OH)2 composites
  10. High impact toughness of polyamide 6/poly (vinylidene fluoride) blends induced by an ionic liquid
  11. Application of chemically-cross-linked chitosan for the removal of Reactive Black 5 and Reactive Yellow 84 dyes from aqueous solutions
  12. Flame retardation behaviors of UV-curable phosphorus-containing PU coating system
  13. Preparation and characterization of modified chitosan for in vitro controlled release of vitamin B12
  14. Surface modification of nano-alumina and its application in preparing polyacrylate water-based wood coating
Sign up now to receive a 20% welcome discount
Institutional Access
How does access work?
Have an idea on how to improve our website?
Please write us.
© 2025 De Gruyter Brill
Downloaded on 28.10.2025 from https://www.degruyterbrill.com/document/doi/10.1515/polyeng-2013-0147/html
Scroll to top button