4 papers
Statistical analyses of hydrophobic interactions: A mini-review
L. R. Pratt, Mangesh I. Chaudhari, Susan B. Rempe
This review focuses on the striking recent progress in solving for hydrophobic interactions between small inert molecules. We discuss several new understandings. Firstly, the _inve…
Molecular-scale Description of SPAN80 Desorption from the Squalane-Water Interface
L. Tan, L. R. Pratt, M. I. Chaudhari
Extensive all-atom molecular dynamics calculations on the water-squalane interface for nine different loadings with sorbitan monooleate (SPAN80), at K, are analyzed for the…
Direct Numerical Test of the Statistical Mechanical Theory of Hydrophobic Interactions
M. I. Chaudhari, S. Holleran, H. S. Ashbaugh +1
This work tests the statistical mechanical theory of hydrophobic interactions, isolates consequences of excluded volume interactions, and obtains B2 for those purposes. Cavity meth…
Microstructures of capped ethylene oxide oligomers in water and n-hexane
Mangesh I. Chaudhari, Lawrence R. Pratt
This report documents microstructural features of CH3(CH2-O-CH2)mCH3 dissolved in water and n-hexane for m = 11, 21, and 31. Probability densities for end-to-end distance, and the…