Collaborative Research: SusChEM: Phase-specific catalysis combined with reactive distillation for the selective production of butadiene from y-valerolactone

1605114 / 1605071 PI：Bond, Jesse Q. / Crossley, Steven P. 标题：合作研究：SusChEM：相特异性催化与反应蒸馏相结合，用于从γ-戊内酯选择性生产丁二烯经济可行的生物质转化为化学品对于可持续发展至关重要。最近页岩气繁荣造成的烷烃活化效率低下和生产缺口，在石化行业中创造了一个可以实际由生物质填补的利基市场。该合作项目的目标是开发一种新技术，从γ-戊内酯（一种生物质衍生化学品）的水溶液中选择性生产相对高价值的石化产品丁二烯。在最近炼油厂运营模式发生转变后，丁二烯市场变得越来越不稳定。研究人员将开发一种多相反应器，以实现从γ-戊内酯水溶液中选择性生产丁二烯。设想的化学转化是通过戊内酯连续开环形成戊烯酸异构体发生的，随后进行脱羰形成丁二烯。将采用多相反应器来实现戊内酯的开环以在水相中形成戊烯酸，将这些戊烯酸萃取到有机相中，有机相中的戊烯酸脱羰以形成丁二烯，以及将丁二烯从有机相反应蒸馏至吹扫气。将进行控制现象的基础研究，以制定最大化丁二烯选择性的策略。目的是将非理想溶液热力学、相和化学平衡、反应动力学和传输现象整合到整体过程模型和功能反应器设计中。这种方法还将有助于更好地了解凝聚相催化和多相反应器。除了培训研究生外，PI 还计划让高中生和本科生参与研究并开发生物质精炼教育模块。

1605114 / 1605071 PIs: Bond, Jesse Q. / Crossley, Steven P. Title: Collaborative Research: SusChEM: Phase-specific catalysis combined with reactive distillation for the selective production of butadiene from y-valerolactoneEconomically feasible conversion of biomass to chemicals is of critical importance for sustainability. Inherent inefficiencies in alkane activation and production gaps caused by the recent shale gas boom have created niches within the petrochemical industry that might realistically be filled by biomass. The goal of this collaborative project is to develop a new technology for selective production of a relatively high-value petrochemical, butadiene, from aqueous solutions of gamma-valerolactone, a biomass derived chemical. The butadiene markets have become increasingly volatile after the recent paradigm shift in refinery operation. The researchers will develop a multiphase reactor to achieve selective butadiene production from aqueous solutions of gamma-valerolactone.The envisioned chemical transformation occurs through sequential ring opening of valerolactone to form pentenoic acid isomers, which subsequently undergo decarbonylation to form butadiene. A multiphase reactor will be employed to achieve ring opening of valerolactone to form pentenoic acids in an aqueous phase, extraction of these pentenoic acids into an organic phase, decarbonylation of pentenoic acids in the organic phase to form butadiene, and reactive distillation of butadiene from the organic phase to a sweep gas. Fundamental studies of the governing phenomena will be undertaken in order to develop strategies for maximizing butadiene selectivity. The aim will be to integrate non-ideal solution thermodynamics, phase and chemical equilibria, reaction kinetics, and transport phenomena into an overall process model and functional reactor design. This approach will also lead to a better fundamental understanding of condensed phase catalysis and multiphase reactors. In addition to training graduate students, the PIs plan to engage high school and undergraduate students in their research and develop an educational module on biomass refining.