Polyoxymethylene ethers (OMEs), a class of oxygenated synthetic fuels, are attractive diesel blend compounds for their soot reduction and suppression of nitrogen oxides formation. OMEs with chain length of n = 3 – 5 are of special interest due to their diesel-like characteristics. We computationally assessed the fuel properties of these molecules to anticipate advantages and barriers of chemical modification to the polyether structure. The results highlight that most fuel properties for OMEs improve upon end-group exchange with larger alcohols, with only a small increase to the low YSI value. Encouraged by the positive predictions, we developed an acid-catalyzed trans-acetalization reaction to exchange methyl-end groups of a parent OME mixture with butyl-end groups using butanol. This reaction occurs over a strong acid catalyst at mild temperatures. We compared the activity and product distribution of a variety of catalysts in order to select a low-cost and commercially available acid catalyst that may improve the economics and scale-up of the process. Distillation of the mixed products separated those at the desired boiling point range of 160 – 350°C for further experimental fuel property testing.

Butyl-end mixed polyoxymethylene ethers (OMEs) as enhanced fuel property diesel blendstocks

ACS Fall 2020 Virtual Meeting

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