RT Journal Article SR Electronic T1 Renewable lubricants with tailored molecular architecture JF Science Advances JO Sci Adv FD American Association for the Advancement of Science SP eaav5487 DO 10.1126/sciadv.aav5487 VO 5 IS 2 A1 Liu, Sibao A1 Josephson, Tyler R. A1 Athaley, Abhay A1 Chen, Qile P. A1 Norton, Angela A1 Ierapetritou, Marianthi A1 Siepmann, J. Ilja A1 Saha, Basudeb A1 Vlachos, Dionisios G. YR 2019 UL http://advances.sciencemag.org/content/5/2/eaav5487.abstract AB We present a strategy to synthesize three types of renewable lubricant base oils with up to 90% yield using 2-alkylfurans, derived from nonfood biomass, and aldehydes, produced from natural oils or biomass through three chemistries: hydroxyalkylation/alkylation (HAA), HAA followed by hydrogenation, and HAA followed by hydrodeoxygenation. These molecules consist of (i) furan rings, (ii) saturated furan rings, and (iii) deoxygenated branched alkanes. The structures of these molecules can be tailored in terms of carbon number, branching length, distance between branches, and functional groups. The site-specific, energy-efficient C–C coupling chemistry in oxygenated biomass compounds, unmatched in current refineries, provides tailored structure and tunable properties. Molecular simulation demonstrates the ability to predict properties in agreement with experiments, proving the potential for molecular design.