4.7 Article

Physical-chemical properties of biodiesel-diesohol blends: Ultrasonic and molecular simulation studies

Journal

JOURNAL OF MOLECULAR LIQUIDS
Volume 388, Issue -, Pages -

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ELSEVIER
DOI: 10.1016/j.molliq.2023.122755

Keywords

Diesel; Biodiesel; Ethanol; Molecular interaction; MD simulation

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Diesohol, consisting of ethanol and diesel, is a potential alternative for diesel. The physical parameters such as density, ultrasound velocity, viscosity, and surface tension were measured to obtain the inference results. The molecular association between the mixture and diesel is similar, indicating significant hydrogen bonding interaction.
Diesohol (blend) is a considerable alternative for diesel that unites ethanol as well as the diesel. The outcomes from the inferences results were properly obtained in the course of investigational measurement of the physical parameters such as the density, ultrasound velocity, viscosity, and surface tension. Additionally, the calculated factors such as adiabatic compressibility, free length, acoustical impedance, and relative association are taken care of. The combination proportions viz. Diesel (DE)-80% + Biodiesel (BDE)-15% + Ethanol (ET)-5% were revealed to have a similar molecular association to diesel. The MD combined with the minimum-distance distribution functions (g(md)(r)) exposed an accumulate of diesel closest to biodiesel at similar to 2.50 angstrom, which recommend a considerable hydrogen bonding interaction mapping and approach between ethanol and the dieselaromatic molecules (polycyclic) and methyl esters. Additionally, the simulated result demonstrates an ester relating platform to promote the ethanol molecules dispersion into the diesel solution.

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