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Sustainable Triacetic Acid Lactone Production from Sugarcane by Fermentation and Crystallization

Bhagwat, Sarang S. [University of Illinois Urbana-Champaign, IL (United States)] (ORCID:0000000226202829)·Dell’Anna, Marco Nazareno [University of Illinois Urbana-Champaign, IL (United States); University of Wisconsin-Madison, WI (United States)]·Li, Yalin [University of Illinois Urbana-Champaign, IL (United States); Rutgers, The State University of New Jersey, Piscataway, NJ (United States)] (ORCID:0000000288634758)·Cao, Mingfeng [University of Illinois Urbana-Champaign, IL (United States)] (ORCID:0000000267503871)·Brace, Emma C. [University of Illinois Urbana-Champaign, IL (United States); Boston College, Chestnut Hill, MA (United States)] (ORCID:0000000177972295)·Bhagwat, Sunil S. [Institute of Chemical Technology, Maharashtra (India); Indian Institute of Science Education and Research (IISER) Pune, Maharashtra (India)]·Huber, George W. [University of Illinois Urbana-Champaign, IL (United States); University of Wisconsin-Madison, WI (United States)] (ORCID:0000000278386893)·Zhao, Huimin [University of Illinois Urbana-Champaign, IL (United States)] (ORCID:0000000290696739)·Guest, Jeremy S. [University of Illinois Urbana-Champaign, IL (United States)] (ORCID:0000000324892579)
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Abstract

Triacetic acid lactone (TAL) has the potential to serve as a bioderived platform chemical for commercial products including sorbic acid and recyclable polydiketoenamine plastics. In this study, we leveraged BioSTEAM to design, simulate, and evaluate (via techno-economic analysis, TEA, and life cycle assessment, LCA) TAL production from sugarcane. We experimentally characterized TAL solubility, calibrated solubility models, and designed a process to separate TAL from fermentation broths by crystallization. The biorefinery could produce TAL at a minimum product selling price (MPSP) of $\$3.73$–5.86·kg –1 (5th–95th percentiles; baseline at $\$4.60$·kg –1 ) and a carbon intensity (CI) of 5.31 [2.60–8.71] kg CO 2 -eq·kg –1 , which could enable financially viable, low-CI production of sorbic acid and polydiketoenamines. To drive down costs and CI, we explored the theoretical fermentation space (titer, yield, productivity combinations), operation scheduling and capacity expansion strategies (e.g., integrated sorghum processing), and potential separation improvements (mitigating TAL loss through pH control). Advancements in key design and technological parameters could further reduce MPSP by 51% to $\$2.26$·kg –1 [$\$1.97$–2.80·kg –1 ] and CI by 43% to 3.05 [1.91–4.15] kg CO 2 -eq·kg –1 . This research highlights the ability of agile TEA-LCA to screen promising designs, navigate sustainability trade-offs, prioritize research needs, and chart quantitative roadmaps to advance bioproducts and biofuels.

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRYLife Cycle Assessment (LCA)biorefinery design and sizingfinancial viabilitygreenhouse gas emissionslife cycle assessment (LCA)sweet sorghumtechno-economic analysis (TEA)titer-yield opportunity spacetiter−yield opportunity spacetriacetic acid lactone (TAL) solubilityuncertaintyuncertainty financial viability

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Bhagwat, Sarang S. [University of Illinois Urbana-Champaign, IL (United States)] (ORCID:0000000226202829), Dell’Anna, Marco Nazareno [University of Illinois Urbana-Champaign, IL (United States); University of Wisconsin-Madison, WI (United States)], Li, Yalin [University of Illinois Urbana-Champaign, IL (United States); Rutgers, The State University of New Jersey, Piscataway, NJ (United States)] (ORCID:0000000288634758), Cao, Mingfeng [University of Illinois Urbana-Champaign, IL (United States)] (ORCID:0000000267503871), Brace, Emma C. [University of Illinois Urbana-Champaign, IL (United States); Boston College, Chestnut Hill, MA (United States)] (ORCID:0000000177972295), Bhagwat, Sunil S. [Institute of Chemical Technology, Maharashtra (India); Indian Institute of Science Education and Research (IISER) Pune, Maharashtra (India)], Huber, George W. [University of Illinois Urbana-Champaign, IL (United States); University of Wisconsin-Madison, WI (United States)] (ORCID:0000000278386893), Zhao, Huimin [University of Illinois Urbana-Champaign, IL (United States)] (ORCID:0000000290696739), Guest, Jeremy S. [University of Illinois Urbana-Champaign, IL (United States)] (ORCID:0000000324892579). 2025-10-16. Sustainable Triacetic Acid Lactone Production from Sugarcane by Fermentation and Crystallization. https://doi.org/10.1021/acssuschemeng.5c04797

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