Insights into the structure and Ion transport of pectin-[BMIM] [PF6] electrolytes

Sipra, Mohapatra and Sougata, Halder and Sachin, R. Chaudhari and Ronald, R. Netz and Santosh, Mogurampelly (2023) Insights into the structure and Ion transport of pectin-[BMIM] [PF6] electrolytes. Journal of Chemical Physics, 159. pp. 1-11.

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Abstract

We investigate the effect of pectin on the structure and ion transport properties of the room-temperature ionic liquid elec- trolyte 1-n-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]) using molecular dynamics simulations. We find that pectin induces intriguing structural changes in the electrolyte that disrupt large ionic aggregates and promote the formation of smaller ionic clusters, which is a promising finding for ionic conductivity. Due to pectin in [BMIM][PF6] electrolytes, the diffusion coef- ficient of cations and anions is observed to decrease by a factor of four for a loading of 25 wt. % of pectin in [BMIM][PF6] electrolyte. A strong correlation between the ionic diffusivities (D) and ion-pair relaxation timescales (τc) is observed such that D ∼ τc−0.75 for cations and D ∼ τc−0.82 for anions. The relaxation timescale exponents indicate that the ion transport mecha- nisms in pectin-[BMIM][PF6] electrolytes are slightly distinct from those found in neat [BMIM][PF6] electrolytes (D ∼ τ−1 c ). Since pectin marginally affects ionic diffusivities at the gain of smaller ionic aggregates and viscosity, our results suggest that pectin- ionic liquid electrolytes offer improved properties for battery applications, including ionic conductivity, mechanical stability, and biodegradability.

Item Type:	Article
Uncontrolled Keywords:	pectin, electrolytes, intramolecular force field parameters
Subjects:	500 Natural Sciences and Mathematics > 04 Chemistry and Allied Sciences > 28 Polysaccharide Chemistry
Divisions:	Plantation Products Spices and Flavour Technology
Depositing User:	Somashekar K S
Date Deposited:	19 Dec 2025 05:13
Last Modified:	19 Dec 2025 05:13
URI:	http://ir.cftri.res.in/id/eprint/20180

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