Welcome to the MGHPCC Virtual Booth

University of Massachusetts


Computational Approach To Identify High-solubility Active Materials For Non-aqueous Redox Flow Battery

Thursday, November 19 12:00 pm EST
Passcode: 759941
Nonaqueous Redox flow batteries (NRFB) are a promising technology for future energy storage systems at a utility-scale. Low solubility and poor stability of redox-active species, limiting the performance and energy density of NRFB, overshadow the numerous advantages offered by flow battery technology. In this presentation, we will share our recent efforts on accelerating electrolyte discovery using computational chemistry, focusing on solubility. Using a series of experimentally synthesized tetraalkylammonium (C =1-4) vanadium bis-hydroxyiminodiacetate (VBH) as a probe, we will show how the thermodynamics can be tuned, including solvation free energy and lattice enthalpy.
University of Massachusetts Dartmouth
CSCVR/Chemistry & Biochemistry
Dr. Maricris Mayes
Associate Professor
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