Physical Chemistry Seminar: "Understanding the Structural and Conductive Properties of Glyonic Liquids with Computational Methods"

When

4 – 5 p.m., Oct. 31, 2022

Abstract: Ionic liquids (ILs) are salts in liquid state with melting points below 100 °C. ILs have impressive physicochemical properties including non-volatility, non-flammability, air and water stability, and good electrical conductivity. A sugar-based IL, glyonic liquid (GL), which uses rhamnolipids as anions, is valued as an environmentally friendly material with low cost and superionic  proton conductivity. Also, the experiments show that the water fraction is highly related to the conductivity. Here, classical molecular dynamics (MD) simulation is used on a series of GLs to determine conformations and atomic level structures in GLs. 3D networks composed of interacting polar atoms are found inside the GLs and they are qualitative predictors of the actual conductivity.

Bio-sketch: Bai was born and brought up in Shandong, China. She got her BS in chemistry from Peking University in Beijing, working in Prof. YiQin Gao's group on DNA sequence analysis and coarse-grained chromatin model. She came here for graduate school in fall 2019.

LOCATION

Koffler Room 216

PRESENTER

Bai Hei Graduate Student, Department of Chemistry and Biochemistry, The University of Arizona

 

Hosted byDr. Steven Schwartz