Thermophysical properties of 5-methylfurfural with alcohol additives: Toward efficient and sustainable biofuel blends
Mohammad Almasi, Morteza Vatanparast
TL;DR
This study explores how adding alcohols to 5-methylfurfural can improve biofuel properties for better engine performance and sustainability.
Contribution
The study reveals how hydrogen bonding and alcohol chain length affect the thermophysical properties of MFF blends.
Findings
Short-chain alcohols enhance volatility and molecular packing in MFF blends.
Long-chain alcohols improve miscibility and stability for compatibility with conventional fuels.
Molecular dynamics simulations align closely with experimental measurements of blend properties.
Abstract
The transition toward sustainable energy systems requires renewable fuel alternatives with optimized combustion performance and reduced emissions. 5-Methylfurfural (MFF), a lignocellulosic biomass-derived furanic compound, has emerged as a promising biofuel precursor and blending. In this study, we investigated the thermophysical properties and molecular interactions of binary mixtures of MFF with short-to medium-chain 2-alkanols (C3–C6), combining experimental measurements of density and viscosity with molecular dynamics (MD) simulations. Our findings reveal strong hydrogen-bond interactions between MFF’s aldehyde group and the hydroxyl groups of short-chain alcohols, leading to compact molecular packing, enhanced volatility, and improved combustion efficiency. Conversely, longer-chain alcohols introduce steric hindrance that disrupts hydrogen-bonding networks, increasing free volume…
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Taxonomy
TopicsCatalysis for Biomass Conversion · Biodiesel Production and Applications · Advanced Combustion Engine Technologies