Unlocking the Potential of Metal-Doping Fe2O3/Rice Husk Ash Catalysts for Low-Temperature CO-SCR Enhancement.

Transition metal oxides are efficient bifunctional catalysts for the selective catalytic reduction (SCR) of nitrogen oxides (NOx) using CO. Nonetheless, their poor activity at lower temperatures constrains broader industrial application. Herein, we propose an optimized Fe2O3-based catalyst through strategic metal doping with Cu, Co, or Ce, which engenders a harmonious balance for the synergistic removal of CO and NOx. Among the developed catalysts, Co-doped Fe2O3, supported by rice husk ash, demonstrates superior low-temperature CO-SCR activity, achieving CO and NOx conversion ratios and N2 selectivity above 98.5% at 100-500 °C. The enhanced catalytic performance is attributed to the catalyst's improved redox properties and acidity, engendered by strong Fe-Ox-Co interactions. Furthermore, the CO-SCR reaction adheres to the Langmuir-Hinshelwood and Eley-Rideal mechanisms. Our findings shed light on the future industrial application of low-temperature CO and NOx near-zero emission technology and provide a strategy for the design of low-cost SCR catalysts.

Temperature dependence of fluid transport in nanopores.

Understanding the temperature-dependent nanofluidic transport behavior is critical for developing thermomechanical nanodevices. By using non-equilibrium molecular dynamics simulations, the thermally responsive transport resistance of liquids in model carbon nanotubes is explored as a function of the nanopore size, the transport rate, and the liquid properties. Both the effective shear stress and the nominal viscosity decrease with the increase of temperature, and the temperature effect is coupled with other non-thermal factors. The molecular-level mechanisms are revealed through the study of the radial density profile and hydrogen bonding of confined liquid molecules. The findings are verified qualitatively with an experiment on nanoporous carbon.

Effect of electric field on liquid infiltration into hydrophobic nanopores.

Understanding the variation of nanofluidic behavior in the presence of an external electric field is critical for controlling and designing nanofluidic devices. By studying the critical infiltration pressure of liquids into hydrophobic nanopores using molecular dynamics (MD) simulations and experiments, important insights can be gained on the variation of the effective liquid-solid interfacial tension with the magnitude and sign of electric field, as well as its coupling with the pore size and the solid and liquid species. It is found that the effective hydrophobicity reduces with the increase of electric intensity and/or pore size, and the behavior is asymmetric with respect to the direction of the electric field. The underlying molecular mechanisms are revealed via the study of the density profile, contact angle, and surface tension of confined liquid molecules.

Effect of particle size in a limestone-hydrochloric acid reaction system.

Experimental characterization of the wet flue gas desulfurization process is carried out using a model limestone-hydrochloric acid reaction system, with in-situ measurement of the dissolution rate and particle size distribution. The limestone source, initial particle size distribution, working temperature and pH value are varied in large ranges. The dissolution rate is found to be higher when the average particle size is smaller, the temperature is higher, or the pH is lower. An empirical equation is established to correlate the dissolution rate with the particle size and working conditions, which agrees well with measurements. The results may be useful for providing insights to improve the efficiency of the wet flue gas desulfurization process, as well as other solid particle-liquid solution reactions.

Electrolyte solution transport in electropolar nanotubes.

Electrolyte transport in nanochannels plays an important role in a number of emerging areas. Using non-equilibrium molecular dynamics (NEMD) simulations, the fundamental transport behavior of an electrolyte/water solution in a confined model nanoenvironment is systematically investigated by varying the nanochannel dimension, solid phase, electrolyte phase, ion concentration and transport rate. It is found that the shear resistance encountered by the nanofluid strongly depends on these material/system parameters; furthermore, several effects are coupled. The mechanisms of the nanofluidic transport characteristics are explained by considering the unique molecular/ion structure formed inside the nanochannel. The lower shear resistance observed in some of the systems studies could be beneficial for nanoconductors, while the higher shear resistance (or higher effective viscosity) observed in other systems might enhance the performance of energy dissipation devices.