The Catalyst Selectivity Index (CSI): A Framework and Metric to Assess the Impact of Catalyst Efficiency Enhancements upon Energy and CO2 Footprints
Authors: Xiao Tiancun , Shirvani Tara , Inderwildi Oliver , Gonzalez-Cortes Sergio , AlMegren Hamid , King David , Edwards Peter P. 
Published: July 2015

Heterogeneous catalysts are not only a venerable part of our chemical and industrial heritage, but they also occupy a pivotal, central role in the advancement of modern chemistry, chemical processes and chemical technologies. The broad field of catalysis has also emerged as a critical, enabling science and technology in the modern development of “Green Chemistry”, with the avowed aim of achieving green and sustainable processes. Thus a widely utilized metric, the environmental E factor—characterizing the waste-to-product ratio for a chemical industrial process—permits one to assess the potential deleterious environmental impact of an entire chemical process in terms of excessive solvent usage. As the many (and entirely reasonable) societal pressures grow, requiring chemists and chemical engineers not only to develop manufacturing processes using new sources of energy, but also to decrease the energy/carbon footprint of existing chemical processes, these issues become ever more pressing. On that road to a green and more sustainable future for chemistry and energy, we note that, as far as we are aware, little effort has been directed towards a direct evaluation of the quantitative impacts that advances or improvements in a catalyst’s performance or efficiency would have on the overall energy or carbon (CO2) footprint balance and corresponding greenhouse gas (GHG) emissions of chemical processes and manufacturing technologies. Therefore, this present research was motivated by the premise that the sustainability impact of advances in catalysis science and technology, especially heterogeneous catalysis—the core of large-scale manufacturing processes—must move from a qualitative to a more quantitative form of assessment. This, then, is the exciting challenge of developing a new paradigm for catalysis science which embodies—in a truly quantitative form—its impact on sustainability in chemical, industrial processes. Towards that goal, we present here the concept, definition, design and development of what we term the Catalyst Sensitivity Index (CSI) to provide a measurable index as to how efficiency or performance enhancements of a heterogeneous catalyst will directly impact upon the fossil energy consumption and GHG emissions balance across several prototypical fuel production and conversion technologies, e.g. hydrocarbon fuels synthesized using algae-to-biodiesel, algae-to-jet biofuel, coal-to-liquid and gas-to-liquid processes, together with fuel upgrading processes using fluidized catalytic cracking of heavy oil, hydrocracking of heavy oil and also the production of hydrogen from steam methane reforming. Traditionally, the performance of a catalyst is defined by a combination of its activity or efficiency (its turnover frequency), its selectivity and stability (its turnover number), all of which are direct manifestations of the intrinsic physicochemical properties of the heterogeneous catalyst itself under specific working conditions. We will, of course, retain these definitions of the catalytic process, but now attempt to place discussions about a catalyst’s performance onto a new foundation by investigating the effect of improvements in the catalyst’s efficiency or performance on the resulting total energy and total CO2footprint for these prototypical fuel production and fuel conversion processes. The CSI should help the academic and industrial chemical communities, not only to highlight the current ‘best practice catalysts’, but also draw specific conclusions as to what energy and CO2emissions saving one could anticipate with higher efficiency/higher performance from heterogeneous catalysts in a particular fuel synthesis or conversion process or technology. Our aim is to place discussions about advances in the science and technology of catalysis onto a firm foundation in the context of GHG emissions. We believe that thinking about (and attempting to quantify) total energy and CO2emissions reductions associated with advances in catalysis science from a complete energy life cycle analysis perspective is extremely important. The CSI will help identify processes where the most critical advances in catalyst efficiency are needed in terms of their potential impact in the transition to a more sustainable future for fuel production and conversion technologies.