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• We constructed a 3D temperature field model. • We conducted a comparative analysis of the relationship between an oxidation zone and a cavity. • We analyzed the changes in the intensities of chemical reactions in a gasifier using stoichiometric conservation. • We investigated the effects of shifting the gasifier injection position on the temperature field and gas composition. In this paper, the effects of changing the injection position of a gasification agent on temperature fields and gas compositions are investigated through an experimental model of the underground gasification of coaxial coal. A 3D model of the temperature field is constructed based on the experimental temperature parameters using kriging interpolation; the 900 °C isothermal surface is used as the reference plane to define the oxidation zone, and its plane and volume expansion rate are analyzed. The underground coal gasification experiment is divided into five stages according to the injection location. The average expansion rates of the oxidation zone in each stage are 2.04 cm/h, 1.93 cm/h, 3.44 cm/h, 3.68 cm/h, and 3 cm/h along the X-direction and 0.69 cm/h, 0.09 cm/h, 0.56 cm/h, 1.69 cm/h, and 1.01 cm/h along the Z-direction; the expansion rate along the X-direction is greater than that along the Z-direction. The expansion volumes of the oxidation zone after the five stages increase from 0.0097 m3 to 0.0168 m3, 0.0321 m3, 0.0521 m3 and 0.0657 m3. An analysis of the expanded volume of the oxidation zone compared with the volume of the cavity shows that both features are similar in shape and that the final volume of the cavity is smaller than the final expanded volume of the oxidation zone; the volume of the cavity is approximately 77.3 % of the expanded volume of the oxidation zone. The formation of a cavity requires the temperature to reach the conditions for the oxidation reaction of the coal and the rupture and flaking of the ash layer that accumulates after the reaction by the actions of certain stresses, such as thermal. The composition of the product gas and the strength of the chemical reactions involved are evaluated based on stoichiometric conservation. A short period after a shift in the injection position of the gasifier greatly impacts the chemical equilibrium of the UCG process with a large change in the strength of the chemical reaction, followed by a relatively small change when the gasification process stabilizes. [ABSTRACT FROM AUTHOR]

[Display omitted] • Typical flue gas components all play inhibitory roles for Cd species adsorption. • HCl, CO 2 , and H 2 O have mild inhibitory effects on Cd species removal. • O 2 , NO, and SO 2 strongly exclude the adsorption of Cd species. • The adsorption selectivity of Cd species decreases with the increased temperature. Removal of cadmium (Cd) pollutants from waste incineration (MSW) flue gas by modified activated carbon (AC) is of great potential, yet the influence of flue gas composition on their interaction mechanism is still unclear. Thus, density functional theory and thermodynamic analyses were combined to explore the effects of typical flue gas compositions (O 2 , HCl, NO, SO 2 , CO 2 , and H 2 O) on Cd species capture over the Fe/AC and Mn/AC surfaces. All flue gas compositions inhibit the adsorption of Cd species, wherein their inhibitory effects are mainly divided into two categories, i.e., one with moderate inhibition (HCl, CO 2 , and H 2 O), and the other with significant inhibition (O 2 , NO, and SO 2). For the first category, HCl forms new active sites after adsorption on the surface, while CO 2 and H 2 O have weak competitiveness with Cd species, resulting in mild inhibitory effects. Nevertheless, O atoms of O 2 /SO 2 and N atoms of NO are highly effortless to bond with Fe/Mn atoms, and strongly exclude the Cd adsorption on the active sites, greatly weakening their binding strength. According to thermodynamic analysis, the fixation of Cd species by Fe/AC and Mn/AC spontaneously proceeds with the interference of flue gas components, while the selectivity to Cd species decreases with the increased temperature. In summary, it is instrumental to adjust the operating parameters and AC injection location to attenuate the negative effects of O 2 , SO 2 , NO, and high temperature on Cd capture by Fe/AC and Mn/AC. [ABSTRACT FROM AUTHOR]

• The amount of the reacted carbon was estimated with the volume of oxygen injected. • The energy recovery rate to evaluate the gasification efficiency was proposed. • A gasification temperature evaluation model was suggested. In this paper, UCG simulation experiments were carried out on selected coal samples to study the effects of the gasification agent ratio on the product gas composition and calorific value under different oxygen concentrations. Moreover, an energy recovery evaluation method based on stoichiometric theory was established based on the carbon (C) balance in the generated gas content, and the energy recovery rate and coal consumption of the underground gasification process were evaluated. Based on the composition of the produced gas and the thermodynamic law of conservation, an evaluation model of the underground coal gasification temperature field was established. The gasification chamber temperature in each stage was evaluated by calculating the reaction heat and sensible heat. The experimental and research results showed that when the volume fraction of oxygen in a gasification agent was in the range 40–70 % and the calorific value of the produced gas increased from 10.48 MJ/m3 to 12.48 MJ/m3. The calorific value of the produced gas increased with an increasing oxygen concentration. Furthermore, the energy recovery rate increased from 69.63 % to 83.88 %, indicating that the gasification efficiency of the UCG experiment can be significantly improved with an increasing oxygen concentration. The error between the theoretical value of the coal consumption and the actual monitoring value was within 10 %, which effectively evaluates the coal consumption in the gasification process. The theoretical calculation temperature was consistent with the experimental monitoring temperature results, and the reaction heat was found to also be linearly correlated with the gasification temperature. Therefore, this method can effectively determine the gasification chamber temperature. These monitoring and evaluation methods are expected to guide the analysis of subsurface field experiments. [ABSTRACT FROM AUTHOR]