Bilin Zhuang Research
Current Projects:
Developing Statistical Field Theory for Polar and Polarizable Liquids
We use statistical field techniques to develop theories that account for the complex correlations in polar and polarizable liquids. While the derivation is tedious, the resulting analytical expression is often simple! In our recent work, we have developed a more-accurate expression for liquid dielectric constant and have provided a quantitative description for the well-known like-dissolves-like rule.
Publications in this project:
B. Zhuang*, G. Ramanauskaite‡, Z. Y. Koa‡, and Z.-G. Wang*, Like dissolves like: a first-principles theory for predicting liquid miscibility and mixture dielectric constant, Science Advances, 7, eabe7275 (2021). link
B. Zhuang and Z.-G. Wang, Statistical field theory for polar fluids, Journal of Chemical Physics, 149, 124108 (2018). link
Understanding the Structure of Water
Water is simultaneously the most common liquid on earth and the weirdest. For example, while simple liquids just expand on heating, water has a density maximum at 4 degrees Celsius. The “weird” nature of water may be explained if it is seen as a mixture of two different structures. In this project, we explore the molecular arrangement in liquid water and establish mathematical measures to uncover the two structures.
Publication in this project:
D. S. Brites†, B. Zhuang†*, M. L. Debasu, D. Ding, X. Qin, F. E. Maturi, W. W. Y. Lim‡, D. W. Soh, J. Rocha, Z. Yi, X. Liu* and L. D. Carlos*, Decoding a percolation phase transition of water at ~330 K with a nanoparticle ruler, Journal of Physical Chemistry Letters, 11, 4704 (2020) (†co-first authors) link
Understanding the conformation of polyelectrolyte brushes in salt solutions
Polyelectrolyte brushes are widely used as adhesives, lubricants, and in creating surfaces with special properties (such as superhydrophobic surfaces). Ion valency plays an important role in controlling the behavior. In this project, we try to develop effective theories to understand and to describe how ions control the conformation of polyelectrolyte brushes in the salt solution.
Publications in this project:
M. Li, B. Zhuang*, J. Yu*, Effects of Ion Valency on Polyelectrolyte Brushes: A Unified Theory, Macromolecules, 55, 10450–10456 (2022). link
M. Li, B. Zhuang*, J. Yu*, Sequence-conformation relationship of zwitterionic peptide brushes: theory and simulations, Macromolecules, 54, 9565–9576 (2021). link
M. Li, B. Zhuang*, and J. Yu*, Functional zwitterionic polymers on surface: structures and applications, Chem. Asian J., 15, 1 (2020). link
Understanding and predicting liquid-liquid phase separation
In our cells, droplets can spontaneously form to allow a myriad of chemical reactions happens in them. How do these droplets form in such a crowded molecular environment? Recently, our experimental colleagues have found that peptide solutions squeezed in a confined environment can also lead to droplet formation. In this project, we use theory to understand the thermodynamic driving forces of this phenomenon to elucidate the possible mechanism of droplet formation in cells.
The same mechanism may occur in the process of encapsulating active ingredients is of paramount importance to many industries. One method to form capsules is to use a diblock copolymer, where a “hydrophobic block” interacts more closely with the actives, and a hydrophilic block” interacts more closely with the solution. In this project, we also aim to develop a method to predict the occurrence of encapsulation in solution.
Publications in this project:
M. Li†, B. Zhuang†, Y. Lu, L. An, and Z.-G. Wang, Salt-Induced Liquid-Liquid Phase Separation: Combined Experimental and Theoretical Investigation of Water-Acetonitrile-Salt Mixtures, Journal of American Chemical Society, 143, 773 (2021). link (†co-first authors)
Student Theses:
Liquid-Liquid Phase Separation in Confined Geometry under an Electric Field. Garima Chib (2023).
Thermodynamics of Aggregates Formation. Devendra Neupane (2021).