SusChEM: Collaborative Research: Atomic Level Properties of Nanoscale Metal Phosphide Catalysts for Heteroatom Removal Reactions

SusChEM：合作研究：用于杂原子去除反应的纳米级金属磷化物催化剂的原子级性质

• 批准号: 1361842
• 负责人: S. Ted Oyama
• 金额: $ 30万
• 依托单位: Virginia Polytechnic Institute and State University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2014
• 资助国家: 美国
• 起止时间: 2014-08-01 至 2017-10-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1361842&HistoricalAwards=false
• 关键词: SusChEM; Collaborative; Research; Atomic; Level

In this project funded by the Chemical Catalysis program of the Chemistry Division, Professors Mark Bussell and Takele Seda of Western Washington University, Professor Stephanie Brock of Wayne State University and Professor S. Ted Oyama of Virginia Tech are investigating the fundamental properties of a new class of materials for the removal of impurities from petroleum and other oils. The new materials, composed of metals bonded to phosphorus, are known as metal phosphides and have been shown capable of removing sulfur, nitrogen and oxygen impurities from both petroleum and other oils made from plant or food sources. The need for such removal catalysts is high because all these oils contain substantial impurities, and removing them must be done in such a way that stringent environmental standards are met. By working collaboratively, the researchers on this project are probing the role of particle size, shape and composition on the fundamental catalytic properties of metal phosphides, providing new information for the improvement and commercialization of these promising catalysts. The development of a new generation of catalysts based on metal phosphides would have positive economic and environmental impacts in the U.S. and globally. The collaborative team consisting of PI Bussell and co-PI Seda, faculty members at a predominantly undergraduate institution, co-PI Brock, a faculty member at an urban research university, and co-PI Oyama, who has joint appointments at large U.S. and Japanese research universities, embraces a diverse range of participants. The faculty and students involved in this project are participating in K-12 outreach to educate and recruit the next generation of STEM talent to address the range of energy issues facing the world. Transition metal phosphides have the potential to be highly active hydrodesulfurization (HDS) and hydrodeoxygenation (HDO) catalysts. While metal phosphides represent a promising next generation catalyst for hydrotreating applications, until the effects of active site density, surface composition, and mechanism of resistance to poisoning/deactivation are known, the prospects for improvement and commercialization of such phosphide catalysts face significant challenges. The aims of this project are to determine the roles of particle size, particle shape and composition in determining the activity and selectivity of metal phosphide nanoparticles encapsulated in mesoporous oxide shells for the HDS and HDO reactions. Pre-formed particles are being investigated because they can be prepared as nearly monodisperse samples in sizes ranging from 2-30 nm, and as spherical or rod-shaped single crystallites, thereby enabling quantification of the active site density (and thus turnover frequencies (TOFs)) as well as assessment of the relative activity of different crystal faces. Each member of the collaborative team brings unique characterization capabilities for investigating the structural details of the well-defined metal phosphide nanoparticle catalysts. The proposed research activities with core-shell nanocatalysts will allow us to probe the fundamental chemistry of HDS and HDO over metal phosphides, providing new information for the improvement and commercialization of these promising catalysts.

在这个由化学系化学催化项目资助的项目中，西华盛顿大学的Mark Bussell教授和Takele Seda教授、韦恩州立大学的Stephanie Brock教授和S.弗吉尼亚理工大学的泰德·奥亚玛正在研究一种新材料的基本特性，这种材料可以用来去除石油和其他油类中的杂质。这种新材料由与磷结合的金属组成，被称为金属磷化物，并已被证明能够从石油和其他由植物或食物来源制成的油中去除硫，氮和氧杂质。对这种去除催化剂的需求很高，因为所有这些油都含有大量杂质，并且必须以满足严格的环境标准的方式去除它们。通过合作，该项目的研究人员正在探索粒度，形状和组成对金属磷化物基本催化性能的作用，为这些有前途的催化剂的改进和商业化提供新的信息。基于金属磷化物的新一代催化剂的开发将对美国和全球产生积极的经济和环境影响。由PI Bussell和合作PI Seda组成的协作团队，主要是本科院校的教员，合作PI Brock，城市研究型大学的教员，以及在美国和日本大型研究型大学联合任命的合作PI Oyama，包括各种各样的参与者。参与该项目的教师和学生正在参与K-12外展活动，以教育和招募下一代STEM人才，以解决世界面临的一系列能源问题。 过渡金属磷化物是一种潜在的高活性加氢脱硫（HDS）和加氢脱氧（HDO）催化剂。虽然金属磷化物代表了用于加氢处理应用的有希望的下一代催化剂，但是在已知活性位点密度、表面组成和抗中毒/失活机制的影响之前，这种磷化物催化剂的改进和商业化的前景面临重大挑战。本项目的目的是确定的作用，颗粒的大小，颗粒的形状和组成，在确定的活性和选择性的金属磷化物纳米粒子封装在介孔氧化物壳的HDS和HDO反应。正在研究预成型颗粒，因为它们可以被制备为尺寸范围为2-30 nm的几乎单分散的样品，以及球形或棒状的单晶，从而能够量化活性位点密度（以及因此的转换频率（TOF））以及评估不同晶面的相对活性。合作团队的每个成员都具有独特的表征能力，可以研究定义明确的金属磷化物纳米颗粒催化剂的结构细节。核-壳纳米催化剂的拟议研究活动将使我们能够探测HDS和HDO在金属磷化物上的基本化学，为这些有前途的催化剂的改进和商业化提供新的信息。