The reaction kinetics of 2,3-butanediol (2,3-BDO) and other key intermediates, including methyl ethyl ketone (MEK), 2-methylpropanal, acetoin, 2-butanol and 2-methyl-1-propanol, were investigated over acidic zeolites (ZSM-5, and Y-type zeolite), Cu/ZSM-5, Cu/Y and Cu/SiO₂ to elucidate the roles of acid and metal sites in the process of hydrodeoxygenation of 2,3-BDO to butene. Hydrogenation and dehydrogenation reactions occur on Cu sites, while dehydration reactions take place on acid sites. At low space time, 2,3-BDO can readily be converted to acetoin by dehydrogenation over supported Cu catalysts, however, with increasing space time, the formed acetoin is hydrogenated back to 2,3-BDO. DFT (density functional theory) calculations suggest that the cage structure of Y zeolite allows the formation of larger Cu clusters, potentially blocking acid sites and preventing access of C₄ alcohols (2-butanol, 2-methyl-1-propanol) to the acid sites for dehydration. This effect results in lower selectivity to butenes over Cu/Y than on Cu/ZSM-5.

研究了2,3-丁二醇（2,3-BDO）与其他关键中间体的反应动力学，其中包括甲乙酮（MEK），2-甲基丙醛，丙酮，2-丁醇和2-甲基-1-丙醇。酸性沸石（ZSM-5和Y型沸石），Cu / ZSM-5，Cu / Y和Cu / SiO ₂阐明酸和金属位点在2，3-BDO加氢脱氧为丁烯的过程中的作用。氢化和脱氢反应发生在Cu位，而脱水反应发生在酸性位。在低时空下，2,3-BDO可以通过在负载型Cu催化剂上进行脱氢反应而容易地转化为乙醛，但是，随着时空的增加，所形成的乙醛被氢化回2,3-BDO。DFT（密度泛函理论）计算表明，Y沸石的笼状结构允许形成较大的铜团簇，潜在地阻止酸位，并阻止C ₄醇（2-丁醇，2-甲基-1-丙醇）进入酸中脱水部位。这种作用导致在Cu / Y上对丁烯的选择性比在Cu / ZSM-5上低。