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：相特定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在经济上可行的生物质转化为化学品对可持续性至关重要。烷烃活化的内在低效和近期页岩气繁荣造成的生产缺口，在石化行业创造了利基市场，实际上可能会由生物质来填补。该合作项目的目标是开发一种新技术，从伽马戊内酯的水溶液中选择性地生产价值相对较高的石化产品丁二烯，戊内酯是一种生物质衍生化学品。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，从伽马戊内酯的水溶液中选择性地生产丁二烯。设想的化学转化是通过戊内酯顺序开环形成戊烯酸异构体，然后再经过脱羰反应形成丁二烯。多相反应器将用于实现戊内酯在水相中开环形成戊烯酸，将这些戊烯酸萃取到有机相中，在有机相中戊烯酸脱碳生成丁二烯，以及将丁二烯从有机相反应蒸馏到扫气中。将对支配现象进行基础性研究，以便制定最大限度地提高丁二烯选择性的战略。其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一个整体过程模型和功能反应器设计中。这一方法还将使我们对凝聚相催化和多相反应器有更好的基本理解。除了培训研究生，PIS还计划让高中生和本科生参与他们的研究，并开发一个关于生物质提炼的教育模块。

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.