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Dienes

Research goal: Synthesize dienes, such as butadiene and isoprene, from sugar-derived oxacyclopentanes (tetrahydrofurans).

Objectives: Develop selective catalysts for the ring opening and dehydration of tetrahydrofurans. To that end, we are working in two directions.

First, we are developing and extending a new class of catalysts, dubbed P-zeosils, consisting of phosphoric acid supported on inert all-silica zeolites. The P-zeosils were discovered by CCEI researchers and after extensive characterization and computer simulations were found to behave like Brønsted acids but with properties quite distinct from typical aluminosilicate zeolites. For one, P-zeosils present a distribution of dynamically changing active sites whose nature and activity can be modulated by varying the temperature, pressure and moisture content. Using advanced characterization techniques (e.g., solid-state NMR spectroscopy) we are uncovering their structural secrets and developing principles that will allow us to extend P-zeosils into a broader class of materials consisting of dynamically confined inorganic acids, for example, using metal-organic frameworks as supports.

Second, we are venturing into the Lewis acid catalyst space and metal oxides, in particular. After extensive testing, CCEI researchers have discovered that zirconia (ZrO₂) consistently exhibited the highest selectivity for 1,3-butadiene (~90%) when reacted with tetrahydrofuran.

Surfactants

Research goal: This thrust focuses on innovative technologies that target new performance-advantaged bio-products. We develop sustainable, durable and high-performance surfactants from inexpensive and sustainable renewables.

Approach: Develop carbon-carbon (C-C) coupling strategies on the furan molecule to build chains of varying size and branching to produce aliphatic chains that can be utilized as hydrophobic tails after partial hydrodeoxygenation. Sulfonate the resulting molecule to build a hydrophilic head. Scale up production. Evaluate performance of detergents against that of commercial products. One C-C coupling chemistry entails the acylation of furan. The indirect route, acylation by carboxylic acid anhydrides, is process intensive and carbon inefficient: stoichiometrically, half of the anhydride backbone ends up as by-product. On the other hand, directly acylating with the carboxylic acid itself is not wasteful as water is the only by-product.

Lignocellulose Hydrolysis

Research goal: Develop energy efficient, sustainable processes for the selective deconstruction of lignocellulose to high yields of monosaccharides and intact lignin.

Approach: Develop molten salt hydrate catalytic systems for the efficient dissolution, exfoliation, and deconstruction of biomass. Convert the resulting cellulose and hemi-cellulose into high yield sugars. Develop efficient separation strategies of the sugars.

Fuels

Research goal: Synthesis of renewable jet fuels from non-food biomass.

Approach: Develop various selective C-C coupling reaction chemistries via a slate of catalysts to build the carbon chain length starting from furans. Scale up production.