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In this study, reaction path analysis and modeling of NOx reduction phenomena by selective catalytic reduction (SCR) with NH3 over a Cu-chabazite catalyst were conducted considering changes in the valence state of Cu sites and local structure due to differences in ligands to the Cu sites. The analysis showed that in the Cu-chabazite catalyst, NOx was mainly reduced by adsorbed NH3 on divalent Cu sites accompanied by a change in valence state of Cu from divalent to monovalent. It is known that the activation energy of NOx reduction on a Cu-chabazite catalyst changes between low temperatures ≤ 200 °C and mid to high temperatures ≥ 300 °C. To express this phenomenon, a reversible hydrolysis reaction based on the difference in coordination state of hydroxyl groups (OH−) to Cu sites at low and high temperatures was introduced into the model.

In this study, reaction path analysis and modeling of NOx reduction phenomena by fast SCR reaction on a Cu-chabazite catalyst were conducted, considering the formation and decomposition of ammonium nitrate (NH4NO3). White crystals of NH4NO3 decompose at temperatures < 200 °C. Thus, the reaction behavior changes at 200 °C under fast SCR reaction conditions. NH4NO3 formation can occur on both Cu sites and Brønsted acid sites, which are active sites for NOx reduction in the Cu-chabazite catalyst, but it is unclear where NH4NO3 accumulates on the catalyst. Analyses using catalyst test pieces with different active sites were performed to estimate this accumulation. The results suggested that NH4NO3 accumulation does not depend on the presence of either Cu sites or Brønsted acid sites. Therefore, it is assumed that NH4NO3 can be accumulated everywhere on the catalyst, including on the zeolite framework. This phenomenon was included in the model as formation/accumulation sites S'.

Experimental studies were carried out to investigate the effect of soot deposition on NOx purification phenomena in an ammonia selective catalytic reduction coated diesel particulate filter (SCR/DPF) catalyst. To study soot deposition effects on the chemical reactions and mass transfer, two types of testing device were used. A synthetic gas bench enabling tests to be conducted with temperature and flow rate ranges relevant to real driving conditions was used to investigate the soot influence on reduction of NOx to N2 (DeNOx). A micro-reactor that removed the effect of soot deposition on mass transfer in the catalyst layer was used to analyze chemical reactions on a soot surface and their interaction with the SCR catalyst. A filter test brick of a Cu-zeolite SCR/DPF catalyst and a powder catalyst were used for the synthetic gas bench and micro-reactor tests, respectively. Engine soot was sampled in all the tests.

In this study, instead of investigating NOx storage reaction improvements, the NOx adsorption phenomenon was focused on and analyzed to improve NOx trapping performance at lower temperatures. As a NOx adsorbing material, "Ag" was expected to enhance NOx adsorption and reduce the sulfur regeneration temperature due to the abundance of adsorbed oxygen and moderate basicity. However, when using this material in an actual system, we had to reduce the sulfur regeneration temperature, increase NOx adsorption capacity and improve NOx desorption further. Addition of TiO₂, working as an acidic material, was found to decrease sulfur regeneration temperature. Additionally, it increased the NOx adsorption capacity through improved Ag dispersion which plays an important role in NOx adsorbing. Consequently, a greater NOx trapping performance than NSR catalyst was achieved at lower temperatures.

The use of hydrogen produced from renewable energy sources is expected to be one of the most promising options for achieving carbon neutrality in automobiles, in addition to electrification and the use of biofuels and synthetic fuels. In recent years, along with fuel cell electric vehicles (FCEVs), there has been renewed interest in hydrogen engines that can utilize internal combustion engine technology. Although hydrogen has the property of a high laminar burning velocity and a wide flammable range compared to other fuels, the actual combustion phenomenon in a real engine is strongly influenced by the turbulence created by the in- cylinder flow and the distribution of fuel and air in the cylinder due to the formation of the mixture. Therefore, to fully utilize hydrogen as a fuel in actual engines and bring out its performance, it is important to understand the basic combustion characteristics of hydrogen in the cylinder and the effects of these factors on hydrogen combustion.

This paper describes a method for estimating constants related to NH3 gas diffusion phenomena to the active sites in a selective catalytic reduction diesel particulate filter (SCR/DPF) catalyst. A simple one-dimensional NH3 gas diffusion model based on the pore structure inside the catalyst was developed and used to estimate the intracrystalline diffusion coefficient. It was shown that the estimated value agreed well with experimental data.