Results for “NOx reduction” — Page 15

DOE OSTI2020

Computational modeling predicts the stability of both Pd + and Pd2 + ion-exchanged into H-CHA

Passive NO x adsorbers (PNA) using Pd/zeolites have emerged as a promising solution for the reduction of cold-start emissions from vehicle exhaust. However, the nature of the active sites and the mechanisms underlying NO x adsorption in Pd/zeolites remain a subject of ongoing investigation. In this study, we employ quantum chemical simulations to investigate the structure of Pd species in cation-exchange sites at isolated Al and Al pairs in the 6-ring and 8-ring of the CHA framework before the introduction of NO x . Our calculations show that the speciation of Pd in these exchange sites strongly depends on the precise Al arrangement within the framework, as well as the operating conditions. Ionically dispersed Pd is found to be the most favorable species over a wide range of oxidizing and reducing conditions. Small oligomers of PdO and metallic Pd do not appear to be competitive at either isolated Al or Al pairs. Notably, our calculations show that ion exchange sites other than next–next–nearest neighbor Al pairs in the 6-ring will be preferentially occupied by Pd + instead of Pd 2+ . The stability of Pd + in the zeolite environment is an interesting contrast with its rareness in molecular Pd compounds. Nonetheless, a detailed analysis of the electronic structure shows that predicted Pd oxidation states are consistent with chemical intuition for all complexes investigated in this study. We also discuss the potential ambiguity in Pd characterization provided by typical experimental techniques such as XANES, EXAFS and UV-Vis, and highlight the need for additional EPR spectroscopy studies to further elucidate the initial Pd speciation in zeolites for PNA applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2024

Additional Aviation Sustainability Strategies

Emissions from the aviation sector are expected to grow significantly in the next few decades due to growing demand for aviation. The U.S. fleet size has increased significantly in the past 20 years, growing from 2,132 aircraft to 5,485 aircraft. Similarly from 1990 to 2019, aviation emissions more than doubled, growing faster than any other transportation mode. These emissions include carbon dioxide (CO2), as well as non-CO2 sources including nitrogen oxides (NOx), sulfur dioxide (SO2), water (H2O), and particulate matter (soot). However, this report focuses specifically on CO2 emissions because the impacts from CO2 are well-understood and long-lived. There are also many climate goals tied to CO2 emissions, including the US Aviation Climate Action Plan which is pushing for net-zero in 2050. CO2 is a greenhouse, or heat-trapping, gas that comes from the extraction and burning of fossil fuels, from wildfires, and natural processes like volcanoes. Greenhouse gases absorb heat radiating from the Earth’s surface and release it in all directions, including back toward Earth’s surface. By adding more CO2 to the atmosphere, humans amplify the natural greenhouse effect, causing global temperature to rise. Since the onset of industrial times in 1750, human activities have raised atmospheric CO2 by 50%. Considering this challenge, the United States has set a climate goal to achieve net-zero CO2 emissions in the U.S. aviation sector by 2050 to reduce the environmental impact of aviation. Net-zero emissions refers to the amount of greenhouse gases (GHGs), such as CO2, methane or SO2, that are removed from the atmosphere being equal to those emitted by human activity. This contrasts with carbon-neutrality, which refers to no net release of carbon dioxide to the atmosphere, especially through offsetting emissions, that could be accomplished through a series of actions. As of 2022, the goal of net-zero has been adopted by much of the aviation industry including multiple airlines and countries. To reach net-zero by 2050, sustainable aviation fuels (SAFs) are identified as the technology that could provide the greatest impact within this timeframe. However, certain challenges may limit the production and/or adoption of SAFs in the marketplace, such as competition for feedstocks, production capacity, and high cost. In this case, SAFs would be insufficient to meet the net-zero CO2 emission goals. Therefore, in addition to SAFs, other strategies will be needed to close the gap on emissions produced as a result of SAF shortfalls or to enhance the impact of SAFs on reducing emissions. NASA’s Aeronautics Research Mission Directorate (ARMD) aims to examine these additional pathways to explore how its research may best contribute to the realization of net-zero emissions by 2050. Specifically, this effort considers strategies that can reduce emissions in the aviation sector in combination with the use of SAFs and carbon offsets while still meeting projected passenger demand. The strategies considered are not only feasible but also could be operationally scalable by 2050. The goal of this report is to investigate additional strategies such as alternative flight and ground operations, providing insight into the CO2 emission reduction potential and feasibility of strategy implementation by 2050.

Carbon Emissions↗