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

Abstract

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 (gmd(r)) exposed an accumulate of diesel closest to biodiesel at ∼2.50 Å, 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.