摘要
Growing concern regarding the sustainability of the chemical industry has driven the developmentof more efficient catalytic reactions.First‐generation estimates of catalyst viability are based oncrustal abundance,which has severe limitations.Herein,we propose a second‐generation approachto predicting the viability of novel catalysts prior to industrial implementation to benefit the globalchemical industry.Using this prediction,we found that a correlation exists between catalyst consumptionand the annual production or price of the catalyst element for11representative industrialcatalytic processes.Based on this correlation,we have introduced two new descriptors for catalystviability,namely,catalyst consumption to availability ratio per annum(CCA)and consumed catalystcost to product value ratio per annum(CCP).Based on evaluations of CCA and CCP for selected industrial reactions,we have grouped catalysts from the case studies according to viability,allowing the identification of general limits of viability based on CCA and CCP.Calculating the CCA and CCP and their comparing with the general limits of viability provides researchers with a novel framework for evaluating whether the cost or physical availability of a new catalyst could be limiting.We have extended this analysis to calculate the predicted limits of economically viable production and product cost for new catalysts.?2018,Dalian Institute of Chemical Physics,Chinese Academy of Sciences.Published by Elsevier B.V.All rights reserved.
人们对化学工业可持续性关注的不断提高推动了更加高效催化反应的开发.第一代评估催化剂活性的方法基于其地壳丰度,该方法存在严重不足.本文提出了第二代评估催化剂活性的办法,该方法可以在工业应用之前预测新型催化剂的活性,从而使全球化学工业受益.采用该评估法发现,对于11个有代表性的工业催化过程,催化剂消耗与催化剂元素的年度生产或价格之间存在着关联.基于该关联,我们引入了两个新概念来描述催化剂活性:每年催化剂消耗量与可用量的比值(CCA)和每年消耗催化剂成本与产品价值的比值(CCP).将CCA和CCP评估法用于选定的工业反应,进行实例分析并根据活性将催化剂分类,根据CCA和CCP值即可确定催化剂活性的普遍极限.计算CCA和CCP,并将其与催化剂活性的普遍极限进行比较,可以为研究者提供一个新的框架,用以评估一个新催化剂的成本或物理有效率是否会成为限制因素.我们还将该方法用于计算并预测新型催化剂的可行性生产及产品成本的经济极限.
基金
support from the Villum Foundation V-SUSTAIN grant 9455 to the Villum Center for the Science of Sustainable Fuels and Chemicals
