Wheeler, Ralph A.
Ph.D. (Doctor of Philosophy)
Department of Chemistry and Biochemistry
Ionic liquids have a wide variety of applications in chemistry due to their unique properties such as low flammability, low volatility, and high thermal and chemical stability. These properties make them great solvents, electrolytes for lithium-ion batteries, and more. Ionic liquids are salts whose components are mis-matched in size and shape leading to low melting points. To design an ionic liquid with a desired property it is key to first understand their structure. Lineshape analysis of the charge alternation peak from the experimentally measured or computationally calculated X-ray scattering data can give information about the size of the polar aggregates within the ionic liquids. The fitting can give distances between charged components within the liquid salt. This Lorentzian lineshape model will be an easy method for experimentalists to calculate the ionic partial radial distribution function’s peak maxima and peak minima out to the third peak. Previously, only MD simulations could get these partial radial distribution functions. Also, the quantification of the half-length of the polar aggregates within ionic liquids is novel based upon current literature search. The model can be applied to any combination of cation and anions in ionic liquid and at varying temperatures. It has also shown abilities to apply to other materials such as colloids and polymers and other scattering data (i.e., neutron scattering).
Dalbey, Emily Elizabeth, "Structural analysis of Polar aggregates and Inter-Ionic Distances in Room Temperature Ionic Liquids" (2023). Graduate Research Theses & Dissertations. 7314.
Northern Illinois University
Rights Statement 2
NIU theses are protected by copyright. They may be viewed from Huskie Commons for any purpose, but reproduction or distribution in any format is prohibited without the written permission of the authors.