Project Info

Molecular Thermodynamics of Aqueous Electrolyte Systems

This fundamental study aims to understand the molecular thermodynamics of aqueous electrolytes solutions by investigating how a new formulation based on the effective mole fraction can commonly capture the solution behavior of electrolyte systems. This research will involve the development of a complete model for both solvent and solute, testing/validation of the model, and simulations to understand the origin of this newly proposed fundamental quantity.

The effective mole fraction is a very simple yet very elegant approach to better describe the solution behavior of strong electrolytes in aqueous solutions. It suggests that the size and type of ions are not important, and only the charge fraction of ions in solution matters. This finding is counter to all prior knowledge on electrolyte solutions, but it appears that in reality there is a much simpler approach in describing the thermodynamics properties of single and mixed strong electrolytes.

More Information

Y. Hu, J.-H. Sa, B. R. Lee, and A. K. Sum, “Universal Correlation for Gas Hydrates Suppres- sion Temperature of Inhibited Systems: III. Salts and Organic Inhibitors,” AIChE Journal, 64 (11), 4097-4109 (2018). Editor’s Choice article [doi: 10.1002/aic.16369]

Grand Engineering Challenge: Engineer the tools of scientific discovery

Student Preparation

Qualifications

Students should only have a desire to learn. No other qualifications needed.

Time Commitment

5-7 hours/week

Skills/Techniques Gained

Students will learn about searching the literature, gatering data, analyzing data, developing thermodynamics models, coding in Python.

Mentoring Plan

Regular weekly meetings will be scheduled with the student to develop the project and ensure progress with the project.