Nageswara Rao Peela

Core–Shell Nanocatalyst Design by Combining High‐Throughput Experiments and First‐Principles Simulations

Despite significant research efforts, designing bimetallic catalysts rationally remains a challenging task. Herein, we combine the strengths of high‐throughput experiments and DFT calculations synergistically to design new core–shell bimetallic catalysts. The total oxidation of propane is used as a probe, proof‐of‐concept reaction. The methodology is successful in designing three bimetallic catalysts. Of these catalysts, AgPd is cheaper, more active than the existing most active single‐metal catalyst (Pt), and stable under the reaction conditions. Extended X‐ray absorption fine structure characterization confirms the formation of a bimetallic alloy. This study provides a path forward for designing bimetallic catalysts rationally for vapor phase metal‐catalyzed reactions.

Development of a microfuel processor: oxidative steam reforming of ethanol and water-gas shift reaction on noble metal catalysts in a microreactor

The oxidative steam reforming of ethanol (OSRE) and water-gas shift (WGS) reactions were studied in a microchannel reactor. For OSRE, the experiments were conducted at atmospheric pressure, with water to ethanol molar ratio of 3 or 6 and oxygen to ethanol molar ratio ranging from 0.5 to 1.5, over a temperature range of 350–550°C on Rh/CeO2/γ-Al2O3 catalysts. Compared to SRE, the activity in OSRE was higher, but the selectivity to desired products was slightly lower. The H2 yield obtained in OSRE was ~120 m3.kg–1.h–1. For WGS, the experiments were conducted at atmospheric pressure in the temperature range of 250–400°C on Pt supported on different oxides. The order of activity for Pt supported on different oxides was CeO2-ZrO2 > CeO2 > TiO2 > ZrO2 > Al2O3. With Pt/CeO2-ZrO2/Al2O3 catalyst, conversions close to equilibrium could be obtained at 370°C and wt. of catalyst/molar flow rate of CO = 11.4 g.h.mol–1. Moreover, this catalyst did not show any deactivation in a 10 h run.

Microstructured Reactors for Hydrogen Production from Ethanol

The continuously increasing demand for clean and renewable energy warrants the development of renewable, nonpolluting energy resources. Hydrogen is emerging as a natural choice as a more secure and cleaner energy carrier. Fuel cells can be used to produce clean energy from hydrogen, particularly for portable applications. Hydrogen can be produced from a variety of fossil fuel sources, but to decrease the dependence on fossil fuels, hydrogen has to be produced from a renewable source. Hydrogen production from steam reforming of ethanol (a renewable fuel) has emerged as a promising alternative in recent years. For conducting this reaction on board a vehicle, a compact reactor system is required. A microchannel reactor is more efficient and attractive for this purpose, because of the high surface to volume ratio, resulting in high heat and mass transfer rates.