Our Research Predictive activity coefficient and diffusion models for transport in multicomponent brines

Principal Investigator

John H. Lienhard V

  • Abdul Latif Jameel Professor of Water and Mechanical Engineering, Department of Mechanical Engineering
  • Director, J-WAFS
  • Director, Rohsenow Kendall Heat Transfer Laboratory

John H. Lienhard V is the Abdul Latif Jameel Professor and the founding Director of the Abdul Latif Jameel Water and Food Systems Lab at MIT. During more than three decades on the MIT faculty, Lienhard’s research and educational efforts have focused on heat and mass transfer, water purification and desalination, and thermodynamics. He has also filled a number of administrative roles at MIT.

Lienhard received a bachelor’s degree and a master’s degree in thermal engineering at UCLA from the Chemical, Nuclear, and Thermal Engineering Department, where he worked on buoyant instabilities in solar collectors and evaporating meniscus measurements for MED desalination systems. He joined MIT immediately after completing his PhD in the Applied Mechanics and Engineering Science Department at UC San Diego, where he developed spectral measurements and new scalings for strongly stratified turbulent flows. At MIT, Lienhard’s research on water purification has spanned a broad range of desalination technologies, encompassing fundamental thermodynamics, transport phenomena, chemical and electrochemical separations, technoeconomics, and system design. Lienhard has directly supervised more than 100 graduate theses and postdoctoral associates, and he is the author of more than 300 peer-reviewed publications. He has been issued more than 40 U.S. patents, most of which have been commercialized through start-up companies. Lienhard is a registered professional engineer in Massachusetts and Vermont.

Lienhard is a Fellow of the American Society of Mechanical Engineers (ASME), a Fellow of the American Association for the Advancement of Science (AAAS), and a Fellow of the American Society of Thermal and Fluid Engineers (ASTFE). He is a recipient of the 1988 National Science Foundation Presidential Young Investigator Award, the 1992 SAE Teetor Award, the 2012 ASME Technical Communities Globalization Medal, and the 2015 ASME Heat Transfer Memorial Award, the 2019 ASME Edward F. Obert Award, and the 2021 AIChE/ASME Donald Q. Kern Award.

Lienhard is the co-author of textbooks on heat transfer, on measurement and instrumentation, and on thermal modeling. He has received several teaching awards at MIT, including the Ruth and Joel Spira Award, the Den Hartog Distinguished Educator Award, and the Graduate Student Council Teaching Award. As Director of J-WAFS, Lienhard has sponsored millions of dollars of research on water and food supply for a growing population on a rapidly warming planet.

Challenge:

Can we build robust, predictive thermodynamic and mass transfer models for transport in highly nonideal brines? 

Research Strategy

  • Build a generalizable computational model to predict chemical potential in high-salinity brines containing a large number of salts
  • Develop mass transfer models for diffusive flow in multicomponent brines, leveraging ion conductivity measurements
  • Combine predictive thermodynamic models with a robust mass transfer framework to analyze diffusive transport in complex, nonideal brines

Project description

More than two thirds of the global population currently face severe water scarcity for at least one month each year. Rapid industrialization and population growth, exacerbated by climate change, are expected to increase global water demand by 20-30% by 2050. Recycling agricultural and industrial wastewater is critical to reducing freshwater usage and alleviating water scarcity. Minimizing wastewater volumes and removing harmful pollutants, such as heavy metals and eutrophication-causing minerals, also plays an important role in protecting freshwater resources from contamination. Robust thermodynamic and mass transport models are critical for developing new, efficient technologies for brine concentration and valorization. Precise calculations of osmotic and mean ion activity coefficients are especially important for designing membrane and electrochemical processes to treat high-salinity brines (>100 g/kg), which are highly nonideal solutions. Furthermore, rigorous mass transport models are needed to predict ion fluxes in multicomponent mixtures, in which naïve concentration-gradient-transport models can fail catastrophically. 

This project will develop open-source computation tools to estimate unknown thermodynamic interaction parameters and diffusion coefficients in highly nonideal, multicomponent aqueous mixtures. The team will combine (1) rigorous models for aqueous solution thermodynamics with parameter estimation in under-characterized mixtures, and (2) multicomponent mass transfer models that leverage simple ion conductivity measurements to (3) build a predictive framework for mass transport in nonideal multicomponent brines.

Lienhard is working with MIT research scientist Akshay Deshmukh to conduct this work.

Additional Details

Impact Areas

  • Water

Research Themes

  • Water Purification & Desalination

Year Funded

  • 2024

Grant Type

  • Seed Grant

Status

  • Ongoing