Monte Carlo Simulation of Current Density in Solid Polymer Electrolytes


Sun, Cha Chee and You, Ah Heng and Teo, Lay Lian (2022) Monte Carlo Simulation of Current Density in Solid Polymer Electrolytes. In: 2nd FET PG Engineering Colloquium Proceedings 2022, 1-15 December 2022, Multimedia University, Malaysia. (Unpublished)

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Solid polymer electrolytes have emerged to be the most promising candidate in replacing the traditional liquid polymer electrolytes in lithium ion battery industry. This is mainly due to the absence of leakage problem which cause to the arising of safety issue and the deteriorate performance of the battery. Conversely, solid polymer electrolytes have attained entensive research attention owing to their high safety, good chemical stability, and excellent flexibility. The performance of battery is mainly determined by ionic conductivity which arise from the movement of lithium cations between the two electrodews in polymer electrolyte system. This electrical property at microscopic level involves interpretation of the dynamic movement of ions in polymer matrix. However, this is a complicated process as it involves continuous ions’ displacement in time domain. Monte Carlo (MC) method model this complex system as single ion thus enable the possibility to investigate ions dynamic properties. The model simulates ions dynamic for 10 000 times of continuous hopping events. Event with the highest occurrence is taken as the solution. Random number generator is used for selecting the wave vector and determine the initial conditions of lithium ions. With the presence of electric field, lithium ions with sufficient energy will hop to surrounding vacant site. PMMA, PAN and PAN/PMMA (98:2) polymer electrolytes with 50nm Al2O3 are simulated for mobility, ionic conductivity, current density and number of lithium ions. PAN/PMMA (98:2) hybrid polymer electrolyte has a total of 4.113×1020 lithium ions participated in the conduction process, results in highest ionic conductivity and current density recorded at 2.69×10-3 S/cm and 4.0364 A/cm2 respectively. PAN polymer electrolyte involves 1.1283×1020 lithium ions with ionic conductivity at 7.38×10-4 S/cm and current density at 1.1073 A/cm2 . PMMA polymer electrolyte has lowest number of lithium ions at 2.324×1019, thus has ionic conductivity at 1.52×10-4 S/cm and current density at 0.2281 A/cm2 . The optimised electrical properties shown by PAN/PMMA (98:2) are mainly due to the presence of nitrile group in PAN polymer backbone which contributed to higher flexibility of polymer chain reorganization along with better amorphosity exhibited from PMMA polymer.

Item Type: Conference or Workshop Item (Other)
Uncontrolled Keywords: Polymer, electroluytes, Monte Carlo, ionic conductivity, current density
Subjects: T Technology > TA Engineering (General). Civil engineering (General) > TA401-492 Materials of engineering and construction. Mechanics of materials
Divisions: Faculty of Engineering and Technology (FET)
Depositing User: Ms Nurul Iqtiani Ahmad
Date Deposited: 16 Feb 2023 04:27
Last Modified: 16 Feb 2023 04:27


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