Theoretical Study of Intermolecular Hydrogen Bonding and Interaction in Ethylene Glycol-Water Mixtures

Molecular structure and hydrogen bonding in pure liquid ethylene glycol and ethylene glycol-water mixtures studied using NIR spectroscopy.

The molecular structure and hydrogen bonding of ethylene glycol (EG) and EG-water mixtures in the liquid phase were studied by using near-infrared (NIR) spectroscopy. The spectra were evaluated using a two-dimensional (2D) correlation approach, moving-window 2D correlation analysis and chemometric methods. The minor changes for the CH stretching bands indicate that the structures of pure liquid...

Hydrogen Bonding and Dielectric Spectra of Ethylene Glycol–Water Mixtures from Molecular Dynamics Simulations

Mixtures of ethylene glycol with water are a prominent example of media with variable viscosity. Classical molecular dynamics simulations at room temperature were performed for mixtures of ethylene glycol (EG) and water with EG mole fractions of xE = 0.0, 0.1, 0.2, 0.4, 0.6, 0.9, 1.0. The calculated dielectric loss spectra were in qualitative agreement with experiment. We found a slightly overe...

Study of Surface Tension of Binary Mixtures of Poly (Ethylene Glycol) in Water and Poly (Propylene Glycol) in Ethanol and its Modeling Using Neural Network

Computational study of three dimensional potential energy surfaces in intermolecular hydrogen bonding of cis-urocanic acid

Hydrogen Bonding in Binary Mixtures of Tetrahydrofuran and Water

This contribution reports on the wavenumber shifts and linewidth changes observed for the Raman bands of the C-O and C-C stretching vibrations of tetrahydrofuran (THF) in a series of binary mixtures with water. Experimental results are compared with ab-initio calculations on THF and hydrogen-bonded THF-water complexes. The Raman spectroscopic analysis of vibrational relaxation processes such as...