Effect of Citric Acid on Electrochemical Properties of Liquid Electrolytes

N. M. Noor, Saiyidah Nafisah Saidin, Nur Hani Ra’il, N. N. Mobarak
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Abstract

Effect of citric acid as plasticizer on the electrochemical properties of liquid electrolyte has been studied. Liquid electrolyte was prepared by dissolving citric acid in 1% acetic acid with presence of lithium nitrate salt. Liquid electrolyte is characterized using a conductivity meter to measure the ionic conductivity value. Computer simulation of Density Functional Theory (DFT) with B3LYP/6-31G ++ (d, p) basic set was performed to identify the dominant functional group of citric acid when interact with lithium salt. Increasing the weight of citric acid has increased the ionic conductivity up to 44.89 mS/cm with an optimum weight of 4 g, while the ionic conductivity increases up to 43.00 mS/cm when the percentage of lithium nitrate salt increases up to 30%. The ionic conductivity increases as the salt percentage increases due the interaction between salt and functional group of citric acid. Based on computer simulation of DFT,  the dominant functional group in citric acid that interact with lithium salt are carboxylic acid group which is located in the middle of the citric acid chain causing lithium ions to be more likely interact with citric acid.
柠檬酸对液体电解质电化学性能的影响
研究了柠檬酸作为增塑剂对液体电解质电化学性能的影响。采用硝酸锂盐存在下,将柠檬酸溶解于1%醋酸中制备液体电解质。用电导率计测量离子电导率值来表征液体电解质。利用B3LYP/6- 31g++ (d, p)基集对密度泛函理论(DFT)进行计算机模拟,确定柠檬酸与锂盐相互作用时的优势官能团。增加柠檬酸的质量,当柠檬酸的最佳质量为4 g时,离子电导率可提高到44.89 mS/cm,而当硝酸锂的含量增加到30%时,离子电导率可提高到43.00 mS/cm。由于盐与柠檬酸官能团的相互作用,离子电导率随盐含量的增加而增加。基于DFT的计算机模拟,柠檬酸中与锂盐相互作用的优势官能团是羧酸基,羧酸基位于柠檬酸链的中间,使得锂离子更容易与柠檬酸相互作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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