SusChEM: Rational Design of High Temperature Water-Gas Shift Catalysts with Non-Toxic Earth-Abundant Elements

SusChEM：采用地球丰富的无毒元素的高温水煤气变换催化剂的合理设计

• 批准号: 1511689
• 负责人: Israel Wachs
• 金额: $ 35万
• 依托单位: Lehigh University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2015
• 资助国家: 美国
• 起止时间: 2015-09-15 至 2018-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1511689&HistoricalAwards=false
• 关键词: SusChEM; Rational; Design; Temperature; Water

The proposal seeks to understand and re-design high-temperature water-gas shift (WGS) catalysts so as to avoid the use of chromium (an element with potential environmental and health risks). Currently, chromium-containing catalysts are used almost exclusively for this important reaction that generates hydrogen from carbon monoxide and water, thereby contributing to a sustainable hydrogen-based energy economy. The project will utilize state-of-the art catalyst characterization and mechanistic tools to understand the detailed surface reactions that occur under high-temperature water-gas shift reaction conditions, and then propose new formulations based on known properties of potential low-cost substitute materials. The study will examine both conventional and model HT-WGS catalysts for both their bulk and surface chemical and physical states under reaction conditions. The PI has many state-of-the-art characterization tools at his disposal that should allow unprecedented insight into the mechanism by which the current chromium-based catalyst functions. He will then attempt to emulate the properties of chromium by using a novel "controlled synthesis" method that will be employed with various earth-abundant candidate catalyst materials. The fundamental understanding obtained on the commercial chromium-containing catalyst should provide guidance on the structure, composition and redox properties needed to match the chromium-containing catalyst. In additional to a suite of spectroscopic tools, the PI will employ standard reactivity testing methods and studies with isotopically labeled species to gain detailed understanding of both the working catalyst composition and the WGS reaction mechanism. The proposed research, if successful in all aspects, could transform the industrial process for HT-WGS while avoiding environmental and health issues associated with the current use of chromium. The project would also contribute to the realization of a sustainable hydrogen economy, which would improve U.S. energy security and help ensure competitiveness of the U.S. chemical industry. From an educational standpoint, the project will train one graduate student and 4-6 undergraduate students. In addition the PI will continue his longstanding involvement in a number of educational outreach programs in the Lehigh Valley area, including the Lehigh University CHOICES program that annually brings middle-school female students to the campus for a day to interact with faculty and students engaged in STEM activities.

该提案旨在了解和重新设计高温水煤气变换（WGS）催化剂，以避免使用铬（一种具有潜在环境和健康风险的元素）。 目前，含铬催化剂几乎专门用于这一由一氧化碳和水生成氢气的重要反应，从而有助于可持续的氢基能源经济。 该项目将利用最先进的催化剂表征和机械工具来了解高温水煤气变换反应条件下发生的详细表面反应，然后根据潜在低成本替代材料的已知特性提出新配方。 该研究将检查传统和模型 HT-WGS 催化剂在反应条件下的本体和表面化学和物理状态。 PI 拥有许多最先进的表征工具，可以让他对当前铬基催化剂的作用机制有前所未有的了解。 然后，他将尝试通过使用一种新颖的“受控合成”方法来模拟铬的特性，该方法将用于各种地球上丰富的候选催化剂材料。 对商业含铬催化剂获得的基本了解应该为匹配含铬催化剂所需的结构、组成和氧化还原性质提供指导。 除了一套光谱工具外，PI 将采用标准反应性测试方法和同位素标记物质的研究，以详细了解工作催化剂成分和 WGS 反应机制。 拟议的研究如果在各个方面都取得成功，可以改变 HT-WGS 的工业流程，同时避免与当前铬的使用相关的环境和健康问题。该项目还将有助于实现可持续的氢经济，这将改善美国的能源安全并有助于确保美国化学工业的竞争力。从教育角度来看，该项目将培养研究生1名，本科生4-6名。此外，PI 将继续长期参与利哈伊谷地区的许多教育推广项目，包括利哈伊大学 CHOICES 项目，该项目每年都会邀请中学生到校园进行一天的活动，与从事以下活动的教职员工和学生互动： STEM 活动。