María N Caro's research while affiliated with Universidad de Las Palmas de Gran Canaria and other places
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Publications (2)
The properties, structuring and intermolecular forces of diglyme + alkanol mixtures are studied using a combined experimental and theoretical approach. The thermophysical properties as well as the molecular simulation results provide detailed characterization of the mixtures in terms of composition, type of 1-alkanol and temperature. The possibilit...
The unusual properties of poly(ethyleneoxide) + alcohol mixtures were analyzed using a poly(ethylene oxide) monomer (1,2-dimethoxyethane) in ethanol solutions as a model. A collection of thermophysical measurements and computational studies, using density functional theory and classical molecular dynamics approaches, provide valuable information ab...
Citations
... In fact, several authors have paid their attention to clarifying the nature of intermolecular interaction between ethylene oxide oligomer and alcohol. For example, the MD simulations work done by Aparicio et al. 72 who investigated the binary mixture of 1,2-dimethoxyethane (DME), the shortest and simplest ether molecule which has the comformational properties of PEG, in ethanol solution. The results reveal that the energy interaction of DME-ethanol mixture is strongly dominated by the Lennard-Jones type (88.9%), especially for the mixtures with low concentrations of DME. ...
![[object Object]](https://i1.rgstatic.net/ii/profile.image/997941003169796-1614939084566_Q64/Santiago-Aparicio.jpg)
