Ca-looping is an effective way to capture CO₂ from coal-fired power plants. However, there are still issues that require further study. One of these issues is the effect of steam on the Ca-looping process. In this paper, a self-madethermogravimetric analyzer that can achieve rapid heating and cooling is used to measure the change of sample weight under constant temperature conditions. The parameters of the Ca-looping are studied in detail, including the addition of water vapor alone in the calcination or carbonation stage and the calcination/carbonation reaction temperatures for both calcination and carbonation stages with water vapor. Steam has a positive overall effect on CO₂ capture in the Ca-looping process. When steam is present in both calcination and carbonation processes, it increases the decomposition rate of CaCO₃ and enhances the subsequent carbonation conversion of CaO. However, when steam was present only in the calcination process, there was lower CaO carbonation conversion in the following carbonation process. In contrast, when steam was present in the carbonation stage, CO₂ capture was improved. Sample characterizations after the reaction showed that although water vapor had a negative effect on the pore structure, adding water vapor increased the diffusion coefficient of CO₂ and the carbonation conversion rate of CaO.

Fe-based chemical looping gasification is a clean biomass technology, which has the advantage of reducing CO₂ emissions and the potential of self-sustaining operation without supplemental heating. A novel process combining Fe-based chemical looping and biomass pyrolysis was proposed and simulated using Aspen Plus. The biomass was first subjected to pyrolysis to coproduce biochar, bio-oil and pyrolysis gas; the pyrolysis gas was subjected to an Fe looping process to obtain high-purity hydrogen and carbon dioxide. The influences of the pyrolysis reactor operating temperature and fuel reactor operation temperature, and the steam reactor and air reactor on the process performance are researched. The results showed that, under the operating condition of the established process, 23.07 kg/h of bio-oil, 24.18 kg/h of biochar, 3.35 kg/h of hydrogen and a net electricity of 3 kW can be generated from 100 kg/h of rice straw, and the outlet CO₂ concentration of the fuel reactor was as high as 80%. Moreover, the whole exergy efficiency and total exergy loss of the proposed process was 58.98% and 221 kW, respectively. Additionally, compared to biomass direct chemical looping hydrogen generation technology, the new process in this paper, using biomass pyrolysis gas as a reactant in the chemical looping hydrogen generation process, can enhance the efficiency of hydrogen generation.

The occurrence of sulfur in coal direct liquefaction residue affects its further high quality and high value utilization. Electrochemical desulfurization is characterized by mild reaction conditions, simple operation, easy separation of sulfur conversion products and little influence on the properties of the liquefied residue. An anodic electrolytic oxidation desulphurization experiment was carried out on the liquefaction residue of the by-product of a coal-to-liquid enterprise in the slurry state. An electrochemical test and material characterization of raw materials before and after electrolysis showed that electrolytic oxidation can desulfurize the liquefaction residue under an alkaline condition. Linear sweep voltammetry (LSV) was used for the electrolysis experiments to obtain the optimal slurry concentration of 60 g/L. On this basis, the reaction kinetics were calculated, and the minimum activation energy in the interval at 0.9 (V vs. Hg/HgO) was 19.71 kJ/mol. The relationship between the electrolytic desulfurization of the liquefied residue and energy consumption was studied by the potentiostatic method. The influence of anodic potential and electrolytic temperature on the current density, cell voltage, desulfurization rate and energy consumption was investigated. The experimental results showed that the desulfurization rate and total energy consumption increase positively with the increase in reaction temperature and electrolytic potential in a certain range. The influence of the reaction temperature on the desulfurization rate and total energy consumption is more prominent than that of electrolytic potential, but the energy consumption of sulfur removal per unit mass does not show a positive correlation. Therefore, with the energy consumption per unit mass of sulfur removal as the efficiency index, the optimal experimental results were obtained: under the conditions of 0.8 (V vs. Hg/HgO) anode potential, 50 °C electrolytic temperature, 60 g/L slurry concentration and 14,400 s electrolytic time, the desulfurization rate was 18.85%, and the power consumption per unit mass of sulfur removal was 5585.74 W·s/g. The results of XPS, SEM, BET and IC showed that both inorganic and organic sulfur were removed by electrolytic oxidation, and the morphology, pore structure and chemical bond of the liquefied residue were affected by electrolytic oxidation. The research method provides a new idea and reference for the efficiency evaluation of desulfurization and hydrogen production from coal liquefaction residue.

In this study, we investigated the electronic properties and selective adsorption for CO₂ of nickel boride clusters (NiB)_n, (n = 1~10) using the first principles method. We optimized the structures of the clusters and analyzed their stability based on binding energy per atom. It was observed that (NiB)_n clusters adopt 3D geometries from n = 4, which were more stable compared to the plane clusters. The vertical electron affinity, vertical ionization energy, chemical potential, and highest occupied molecular orbital (HOMO)–lowest unoccupied molecular orbital (LUMO) gap were calculated. Our results revealed that (NiB)₆ and (NiB)₁₀, with high chemical potential, exhibit a higher affinity for CO₂ adsorption due to a charge delivery channel that forms along the Ni→B→CO₂ path. Notably, (NiB)₁₀ demonstrated a more practical CO₂ desorption temperature, as well as a broader window for the selective adsorption of CO₂ over N₂. The density of states analysis showed that the enhanced CO₂ adsorption on (NiB)₁₀ can be attributed to the synergistic effect between Ni and B, which provides more active sites for CO₂ adsorption and promotes the electron transfer from the surface to the CO₂ molecule. Our theoretical results imply that (NiB)₁₀ should be a promising candidate for CO₂ capture.