ABSTRACT
Development of Pd-based catalysts for hydrogen safety applications–modelling and experimental work at HySA Infrastructure at NWU
A.E. Kozhukhova1, L.M. Botha1 and D.G. Bessarabov1,*
HySA-Infrastructure, North-West University, Faculty of Engineering, Private Bag X6001, Potchefstroom 2520, South Africa
Correspondence: dmitri.bessarabov@nwu.ac.za
The excess use of fossil fuels over the past decades has increased the risks associated with air pollution through the formation of greenhouse gas emissions and NOx, as well as accelerated global warming and climate change. In response, there has been an increasing interest in the use of hydrogen as an energy carrier due to its potential to produce minimal detrimental effects on the environment. However, hydrogen poses a critical safety concern when released accidentally and reached an explosive concentration in the air (4–75 vol%). The risk of explosion can be effectively mitigated by hydrogen removal through its recombination with ambient air using a catalyst. Generally, Pt-based catalysts have been used for the recombination reaction of hydrogen with air. However, Pt is highly susceptible to aggregation/sintering at high temperatures, especially in the presence of water, as well as it shows low hydrogen conversion rates at low hydrogen concentrations (<2 vol%). As an alternative, the design of highly active and stable catalysts using Pd and Pd-based nanomaterials has become an area of intense interest. However, there is still a lack of theoretical research on the structural, mechanical, and thermodynamic properties of Pd-based materials, as well as experimental work on the implementation of Pd catalysts in real-world applications. Therefore, comprehensive theoretical and experimental research is being carried out at HySA to evaluate the prospect of Pd usage for hydrogen safety applications. Density Functional Theory (DFT) calculations have been applied to investigate the effect of electronic, elasticity, mechanical, and thermodynamic properties of Pd-based materials. In addition, the Pd-based catalysts with the most energetically favourable configuration are to be prepared and evaluated for the hydrogen recombination reaction. The catalytic activity in terms of hydrogen conversion and start-up characteristics will be evaluated by continuous monitoring of hydrogen conversion and temperature. Thermal distribution over the catalytic surface will be monitored through thermal mapping using an infrared camera.
BIOGRAPHY
Alina was born in Russia. She completed her BSc (2015) and MSc (2017) in chemistry in Moscow, Russia. Alina received the medal for Academic Excellence at National Research Nuclear University MEPhI when completed her Bachelor’s degree. During her Master’s studies, the research focus was the development of catalytic materials and methods for the experimental determination of molecular oxygen in gas and liquid environments using an optical sensor. The results of her research were presented at international conferences and symposiums, as well as forums and exhibitions. In addition, her research significantly contributed to the development of the optical analyzer EXPERT-009, which was commissioned and certified after the completion of her degree. She was then enrolled at North-West University (Potchefstroom campus), where she completed her PhD in Chemical Engineering degree (2022). Her PhD project focused on the development of nanostructured catalyst support structures for hydrogen-related applications, specifically for safety (passive autocatalytic recombination) and domestic (cooking and heating) applications. Recently, Alina was awarded the Sasol-NRF Postdoctoral Innovation Programm Fellowship grant to continue her research in material science. Her research focuses include the development of PGM-based catalytic materials for hydrogen safety, domestic and storage applications, as well as the development of related technologies.