Coal Combustion Research Articles

Study on the Explosion Characteristics of CH4 with the Addition of Coal Spontaneous Combustion Gases

Study on the Explosion Characteristics of CH₄ with the Addition of Coal Spontaneous Combustion Gases

Assessment of the surface water quality and primary health risk in urban wastewater and its receiving river Kathajodi, Cuttack of eastern India.

Kathajodi, the principal southern distributary of the Mahanadi River, is the vital source of irrigation and domestic water use for densely populated Cuttack city which receives anthropogenic wastes abundantly. This study assesses the contamination level and primary health status of urban wastewater, and its receiving river Kathajodi based on the physicochemical quality indices employing inductively coupled plasma mass spectroscopy and aligning with guidelines from the United States Environmental Protection Agency (USEPA) and WHO. The high WQI, HPI, and HEI in the catchment area (KJ2, KJ3, and KJ4) indicate poor water quality due to the influx of domestic waste through the primary drainage system and effluents of healthcare units. A high BOD (4.33-19.66mg L-1) in the catchment indicates high organic matter, animal waste, bacteriological contamination, and low DO, resulting in deterioration of water quality. CR values beyond limits (1.00E - 06 to 1.00E - 04) in three locations of catchment due to higher Cd, Pb, and As indicate significant carcinogenic risk, while high Mn, Cu, and Al content is responsible for several non-carcinogenic ailments and arsenic-induced physiological disorders. The elevated heavy metals Cd, Cu, Fe, Mn, Ni, and Zn, in Kathajodi, could be due to heavy coal combustion, vehicle exhaust, and industrial waste. On the other hand, Cu, Fe, K, and Al could be from agricultural practices, weathered rocks, and crustal materials. Positive significant (p ≤ 0.05) Pearson correlations between physicochemical parameters indicate their common anthropogenic origin and similar chemical characteristics. A strong correlation of PCA between elements and physiological parameters indicates their role in water quality deterioration. Assessing the surface water quality and heavy metal contents from this study will offer critical data to policymakers for monitoring and managing public health concerns.

Phytoremediation of radium contaminated soils: recent advances and prospects

Abstract Radioactive radium (Ra) mainly comes from the mining and milling of uranium and other metal or non-metal mines, phosphate production and fertilizer use, production of oil and gas, coal combustion, wastewater treatment, and various wastes from the above activities, which is ubiquitous in the environment. Phytoremediation is a green and cheap remediation technology for metal/radionuclide-contaminated sites. Radium is often of particular interest and there are many literatures on parameters of Ra concentration in plants and transfer factors from soil to plant from a radiological impact assessment point of view. However, review articles on phytoremediation of Ra-polluted soil are relatively few. This review focused on radium-polluted soil phytoremediation, involving two main strategies of phytoextraction and phytostabilization, which covered the potential (hyper)accumulators for Ra, characteristics of Ra uptake from soil by plants, influencing factors, and phytostabilization application. In future research works, more attention should be paid to the deep insights and mechanism researches of Ra uptake/immobilization by plants. This review will deepen the understanding of the relationship of radium-soil-plants, and to enhance the potential application of phytoremediation as an alternative treatment technology for remediation of Ra-polluted soil site.

Impact of haze on potential pathogens in surface bioaerosol in urban environments

Air quality considerably affects bioaerosol dynamics within the atmosphere. Frequent haze events, with their associated alterations in bioaerosol composition, may pose potential health risks. This study investigated the microbial diversity, community structure, and factors of PM2.5 within an urban environment. We further examined the impact of haze on potentially pathogenic bacteria in bioaerosols, and analyzed the sources of haze pollution. Key findings revealed that the highest levels of microbial richness and diversity were associated with lightly polluted air conditions. While the overall bacterial community structure remained relatively consistent across different air quality levels, the relative abundance of specific bacterial taxa exhibited variations. Meteorological and environmental conditions, particularly sulfur dioxide, nitrogen dioxide, and carbon monoxide, exerted a greater influence on bacterial diversity and community structure compared to the physicochemical properties of the PM2.5 particles themselves. Notably, haze events were observed to strengthen interactions among airborne pathogens. Stable carbon isotope analysis suggested that coal combustion and automobile exhaust were likely to represent the primary source of haze during winter months. These findings indicate that adoption of clean energy alternatives such as natural gas and electricity, and the use of public transportation, is crucial to mitigate particle and harmful pollutant emissions, thereby protecting public health.

Characteristics of Carbon Monoxide and Ethylene Generation in Mine’s Closed Fire Zone and Their Influence on Methane Explosion Limits

Methane explosions often occur during the closure process of mine fire zones, during which the concentration of combustible gases such as monoxide and ethylene produced by coal combustion dynamically changes, which changes the risk of methane explosion. Therefore, studying the gas concentration distribution and methane explosion limits during the process of mine closure is of great significance for disaster prevention and control. In this paper, a three-dimensional physical model of gob was built, and the distribution of monoxide and ethylene in the process of fire zone closure was investigated. Further, the explosion limits of methane enriched with CO and C2H4 in the closed fire zone of gob were analyzed. The results indicate that CO and C2H4 would form a small-scale accumulation phenomenon near the fire zone after the closure of the fire zone, and when the fire zone is closed for more than 15 min, the mixed combustible gases in the environment lose their explosiveness.

PM2.5 exposure contributes to anxiety and depression-like behaviors via phenyl-containing compounds interfering with dopamine receptor

As a global problem, fine particulate matter (PM2.5) really needs local fixes. Considering the increasing epidemiological relevance to anxiety and depression but inconsistent toxicological results, the most important question is to clarify whether and how PM2.5 causally contributes to these mental disorders and which components are the most dangerous for crucial mitigation in a particular place. In the present study, we chronically subjected male mice to a real-world PM2.5 exposure system throughout the winter heating period in a coal combustion area and revealed that PM2.5 caused anxiety and depression-like behaviors in adults such as restricted activity, diminished exploratory interest, enhanced repetitive stereotypy, and elevated acquired immobility, through behavioral tests including open field, elevated plus maze, marble-burying, and forced swimming tests. Importantly, we found that dopamine signaling was perturbed using mRNA transcriptional profile and bioinformatics analysis, with Drd1 as a potential target. Subsequently, we developed the Drd1 expression-directed multifraction isolating and nontarget identifying framework and identified a total of 209 compounds in PM2.5 organic extracts capable of reducing Drd1 expression. Furthermore, by applying hierarchical characteristic fragment analysis and molecular docking and dynamics simulation, we clarified that phenyl-containing compounds competitively bound to DRD1 and interfered with dopamine signaling, thereby contributing to mental disorders. Taken together, this work provides experimental evidence for researchers and clinicians to identify hazardous factors in PM2.5 and prevent adverse health outcomes and for local governments and municipalities to control source emissions for diminishing specific disease burdens.

Dynamic prediction of high-temperature points in longwall gobs under a multi-field coupling framework

Spontaneous coal combustion (SCC) in longwall gobs is a serious disaster and requires prediction tools to accurately and reliably predict the temperature in gobs, but currently, there has been a lack of simple and efficient predictors. To address this issue, the temperature distributions in a longwall gob under different mining state parameters were simulated using a multi-fields coupled model. The temperature distribution and the mining state parameters were extracted to serve as input variables for prediction. Two machine learning models, integrating parameter optimization and ensemble learning strategies, respectively, were proposed to establish the functional relationships between the dynamic change boundary temperature and the maximum temperature in the gob. The results show that these two models have good prediction accuracy on the high-temperature points in longwall gobs, indicating that the ensemble learning has improved prediction accuracy. There is a positive correlation between the number of measuring points and the prediction accuracy, and three measurement points at the key locations can deliver reliable predictive performance.

Experimental study on inhibition of coal spontaneous combustion by carbon dioxide and nitrogen

ABSTRACT Injecting CO2 and N2 to reduce the concentration of O2 in the air is a commonly used measure to prevent coal spontaneous combustion (CSC). To study the difference in inhibitory effects of CO2 and N2 on coal oxidation, experiments in this study were conducted using a setup of self-developed gas-bath coal oxidation for low temperatures. The oxidation process of the coal-oxygen system was then analyzed using reaction kinetics. Two different coal samples were tested in experiments under two inert gas environments, i.e. CO2 and N2 with various O2 concentrations, respectively. The changes in O2 and CO concentrations were measured during the oxidation process. By studying the standard oxygen consumption rate (SOCR) and the apparent activation energy of the coal-oxygen reaction system, inhibitory effects of CO2 and N2 on CSC were analyzed and compared. The results showed that the SOCR of the same coal sample remained consistent and independent of the O2 concentration within the same inert gas environment although under different O2 levels. In both CO2-O2 and N2-O2 environments, the SOCR of the coal sample exhibits exponential growth with temperature. The SOCR was found to have a functional connection with temperature, it can be represented as y = a ⋅ e bT , and the R 2 (determination coefficients) of the fitting formulas are all greater than 0.94. In the correlation, the inert gas environment has minimal impact on coefficient “b,” while in the CO2-O2 environment, reducing the value of coefficient “a” can effectively lower the coal sample’s SOCR. The GBMK sample and YMWK sample have an “a” value that is 20% of the value in the N2-O2 environment when oxidizing in the CO2-O2 environment. The SOCR in the CO2-O2 environment showed a decrement of between 26.0% and 52.1% when compared to that in the N2-O2 environment, whereas the activation energy showed an increment between 1.4% and 18.6%. The findings in this work provide an in-depth understanding of the prevention of CSC in the gob for risk mitigation.

Determination of Heavy Metals in Indoor Dust in the Vicinity of Kota Thermal Power Plant under Meteorological Influence at an Industrial City

Nowadays, the assessment of indoor air quality becomes quite significant owing to the extensive residing time spent by people at work place or at office. Keeping this in mind, this study aims at determining concentrations of selected anthropogenic origin metals (Cu, Pb, Cd and Zn) and crustal origin metals (Ca and Fe) in 47 dust samples obtained from indoor environment of houses in the industrial Kota city, India in summer months (March, April and May, 2022) and October 2022 under meteorological influence. On looking at the comparative concentration of the studied anthropogenic origin metals (Cu, Pb, Cd and Zn) Zn is found to be in highest concentration followed by Pb, Cu and Cd respectively. During summer season, meteorological parameters such as speed and direction of wind, relative humidity, temperature have been observed which are found to affect the concentration of metals. The wind rose indicates the sampling sites facing predominant North wind direction (21.20%) from point source Kota Thermal Power Plant (KTPP) in summer were closest to the source and hence encountered the highest metal burden. It is inferred from Enrichment factor, Pearson’s correlations and principal component analysis that coal burning at Kota Thermal Power Plant is the major source of heavy metal burden accompanied by other anthropogenic actions in the study area.

Trace Metals Reveal Significant Contribution of Coal Combustion to Winter Haze Pollution in Northern China

Trace Metals Reveal Significant Contribution of Coal Combustion to Winter Haze Pollution in Northern China

Research Status and Development Trend of Coal Spontaneous Combustion Fire and Prevention Technology in China: A Review.

Coal seam spontaneous combustion fire is not only one of the main forms of the five major mine disasters, but also the main cause of secondary disasters such as mine gas and coal dust explosions. In recent years, with the advancement of mechanization, automation, and intelligent mine construction, spontaneous coal fires in mines have presented a series of new characteristics, and the prevention and control of spontaneous coal fires are also facing new challenges. On the basis of literature research, this paper summarizes and discusses the basic theory of coal spontaneous combustion, monitoring and early warning methods, and prevention and control technology, summarizes the development process of coal spontaneous combustion theory, reviews the research progress of coal spontaneous combustion monitoring and early warning methods and prevention and control technologies, and discusses the future development direction. In terms of the basic theory of spontaneous combustion of coal, from the initial hypothesis of spontaneous combustion of multielement coal to the unified understanding of coal-oxygen composite theory, a complete set of theoretical systems have been established, and a lot of macro and micro studies have been carried out and analyzed from multiple perspectives. In terms of coal spontaneous combustion monitoring and early warning, from the initial single indicator gas early warning to the construction of gas index system, the hierarchical early warning system is studied, and gradually tends to be perfect. With the development of automation and intelligence technology, the monitoring of coal spontaneous combustion disasters has also formed a new monitoring technology with beam tube monitoring as the traditional method, distributed optical fiber, wireless AD hoc network temperature measurement, and a coal spontaneous combustion multiparameter wireless monitoring system. In terms of fire prevention and control, the traditional "prevention" and "treatment" have changed to the "prevention-control-extinction" technical system based on hierarchical early warning, and the focus has gradually shifted to "prevention", and a large number of antifire materials have been developed, including blocking materials and fire-fighting materials. However, the precise inhibition and control of coal spontaneous combustion disasters, the evolution model of coal spontaneous combustion under the conditions of multifactor coupling in the field, the reliability and stability of intelligent monitoring system, the noncontact detection method of fire source, and the collaborative adaptation of multiple prevention and control techniques are not yet clear. In the future development, the mechanism of spontaneous coal combustion and its evolution process and other basic theories should be deeply studied. On the basis of the mechanism optimization early warning method of spontaneous coal combustion process, flame retardant and fire prevention materials should be targeted and developed. On the basis of the spatiotemporal evolution of spontaneous coal combustion, monitoring and monitoring system equipment with high speed, high precision, and high stability should be developed, which should accelerate the realization of accurate dynamic sensing and intelligent early warning of coal spontaneous combustion, and form an active hierarchical collaborative prevention and control system based on the trinity of "prevention-control-extinction" of coal spontaneous combustion. The conclusions and prospects of this paper can be used for reference in the future research direction, and have a certain role in promoting the exchange of research results of coal science and technology workers.

Preparation of complex physicochemical synergistic inhibitors and study on inhibition of spontaneous combustion of coal

ABSTRACT To efficiently isolate oxygen and block free radical reactions， sodium alginate (SA), sodium polyacrylate (PAAS), attapulgite (ATP), and melatonin (MLT) were selected to develop an oxygen-insulating physicochemical synergistic inhibitor. The water loss experiment, EPR experiment, and programmed temperature rise experiment were used to characterize the performance of the inhibitor. The results show that the optimal ratio of the oxygen barrier physicochemical synergistic inhibitor is 2.5 wt% SA, 1.5 wt‰ PAAS, 9 wt% ATP, 6 wt% MLT, and 3 wt% CaCl2. In the oxygen-insulating physicochemical synergistic inhibitor, the MLT can react with oxidizing radicals in the coal to slow down the process of the oxidation reaction of the coal, and the SA gel can fill the pore space to prevent oxygen adsorption on the coal surface, the inhibition rate of the inhibitor reaches 70% at 120°C. Compared with the original coal, the CO concentration of the treated coal samples is reduced by 253.9ppm compared with that of the original coal, the generation rate is reduced by 1. 13 × 10−11 mol·cm−3·s−1, and the rate of oxygen consumption is reduced by 90. 65 × 10−11 mol·cm−3·s−1 at 120°C. The above results show that the oxygen-insulating physicochemical synergistic inhibitor developed in this paper can effectively improve the fire extinguishing efficiency is environmentally friendly and pollution-free, and has good application prospects.

Mercury Adsorption and Oxidation Performance of an Iron-Based Oxygen Carrier during Coal Chemical Looping Process.

During chemical looping combustion (CLC) and chemical looping gasification (CLG) of coal, the release, migration, and speciation of mercury in coal are significantly influenced by oxygen-carrier materials; however, the underlying mechanism remains inadequately addressed. In this work, the effect of a typical iron-based oxygen carrier on the release behavior of mercury from a bituminous coal and a lignite was investigated based on the Ontario-Hydro method. It is found that the effect of the iron-based oxygen carrier is attributed to three aspects: the enhanced release rate of mercury from coal, the adsorption of the released mercury, and the oxidization of gaseous Hg0 into Hg2+. With the increasing temperature, the adsorbance of mercury by the iron-based oxygen carrier decreases, while the oxidation of mercury enhances. Even at 900 °C, the adsorbance of mercury by the oxygen carrier remained at 0.1687 g/g, with a relative content of Hg2+ at 22.55%. Additionally, it was observed that iron-based oxygen carriers can physically absorb both Hg0 and Hg2+, while chemisorption refers to complex-compound formation between the iron-based oxygen carrier and mercury.

Variations of source-specific risks for inhalable particles-bound PAHs during long-term air pollution controls in a Chinese megacity: Impact of gas/particle partitioning

Gas/particle (G/P) partitioning is a determining factor that drives the behavior of polycyclic aromatic hydrocarbons (PAHs) in the atmosphere. To comprehend the variations and impacts of PAHs G/P partitioning on inhalation risks from different sources, atmospheric PAHs in Chengdu were studied from January 2009 to January 2021. Chengdu's air quality demonstrated improvement, with a noticeable decline in PM10 (from 238 to 103 μg m−3), PM10-bound PAHs mass concentrations (from 0.08 to 0.01 μg m−3), as well as PAHs inhalation non-cancer (from 63.5 to 7.1) and cancer risks (from 6.2 × 10−5 to 7.7 × 10−6). Decreasing trends were also observed in the concentrations of organic carbon (OC) and the values of absorptive G/P partitioning coefficient (Kp, OM) from 2009 to 2020, indicating a slight decrease in the PM absorptive capacity. A positive matrix factorization (PMF) model utilized three distinct datasets: PMFpp (particle-phase PAHs only), PMFtot (total PAHs concentrations), and PMFpp/gas (particle-phase in parallel with gas-phase PAHs). PMFpp and PMFpp/gas provide reasonable source apportionment and source-specific risk results. However, daily variations in source contributions of PMFtot were found to be unreasonable. PMFpp/gas and PMFtot could identify a source of low molecular weight PAHs (LPAHs) related to temperature, and a significantly positive correlation between LPAHs and temperature was discovered. Gas/particle partitioning of PAHs showed a notable impact on source-specific risks associated with coal and biomass combustion (CC&BC). The findings contribute to our understanding of the variation in PAHs G/P partitioning and the PM absorptive capacity resulting from effective air pollution control in China. Additionally, they offer prerequisite information for incorporating semi-volatile organic compounds in source apportionment and source-specific risk assessment.

Characteristics, Sources Apportionment, and Health Risks of PM2.5-bound PAHs and Their Derivatives Before and After Heating in Zibo City

Atmospheric polycyclic aromatic hydrocarbons (PAHs) and their derivatives are a global problem that influences the environment and threatens human health. To investigate the characteristics, sources, and health risk assessment of PM2.5-bound PAHs and their derivatives, PM2.5 were collected at an urban site in Zibo from November 5 to December 26, 2020, and the concentrations of 16 conventional PAHs, nine NPAHs, and five OPAHs in PM2.5 were analyzed using gas chromatography-mass spectrometry. Source apportionment of PAHs and their derivatives was conducted using diagnostic ratios and a PMF model, and the health risks of PAHs and their derivatives to adult men and women were evaluated using the source-dependent incremental lifetime cancer risk (ILCR) model. The results showed that the average concentrations of ∑16pPAHs, ∑9NPAHs, and ∑5OPAHs in PM2.5 of Zibo City during the sampling period were (41.61 ± 13.40), (6.38 ± 5.70), and (53.20 ± 53.47) ng·m-3, respectively. The concentrations of the three PAHs increased significantly after heating, which were 1.31, 2.04, and 5.24 times larger than those before heating. During the sampling period, Chr, BaP, and BaA were the dominant components of pPAHs; 9N-Ant and 2N-Flt + 3N-Flt were the dominant components of NPAHs; and ATQ and BZO were the dominant components of OPAHs. Source apportionment results showed that motor vehicles were the main source of PAHs and their derivatives in PM2.5 before heating, whereas after heating, the main sources were the mixed source of coal and biomass combustion and secondary formation. The total BaP equivalent (TEQ) was 14.5 ng·m-3 during the sampling period, and the TEQ increased significantly after heating, which was approximately 1.2 times of that before heating. Assisted by the individual PAH source apportionment results, the ILCR of PM2.5-boundPAHs and NPAHs in Zibo City had a certain potential carcinogenic risk for adult males (1.06 × 10-5) and females (9.32 × 10-6). Among them, the health risks of PAHs from gasoline vehicles, diesel vehicles, and coal/biomass combustion were significantly higher than those from other emission sources.

Study on the Effect of Pore Evolution on the Coal Spontaneous Combustion Characteristics in Goaf

Understanding the characteristics of coal spontaneous combustion (CSC) in goaf under different porosities is crucial for comprehending the mechanism of CSC and its prevention and control. In this paper, a multi-field coupled model of CSC in the goaf, considering porosity variation, is developed to investigate the effect of porosity on the CSC characteristics in the goaf. The results indicate that, as the goaf depth increases, both porosity and permeability decrease. When the highest goaf porosity is 25%, the average airflow velocity is between 0.00134 and 0.00139 m/s. In contrast, the average airflow velocity in the goaf with a porosity of 40% is approximately six times greater than that of the goaf with a porosity of 25%. As the goaf porosity increases, the overall oxygen concentration, temperature, and oxidized zone area also rise. Moreover, the oxidation zone area can be quantified and visualized, thereby enabling more effective prediction of the CSC risk in the goaf. The findings of the study have a positive significance in guiding the prevention and control of coal fires.

Experimental study on the mechanism of coal spontaneous combustion inhibition by degradation of white-rot fungus

To investigate the mechanism of inhibition of spontaneous combustion of coal by degradation of white-rot fungus, the changes of macroscopic oxidizing characteristics and microstructure of the degraded coal were investigated by the programmed temperature-raising test and the in situ Fourier-transform infrared spectroscopy experiments. The difference in gas production between the degraded coal and the blank samples indicated that the degradation inhibited the oxidation process of coal, and the intensity of the inhibition effect was different at different oxidation stages. The strongest inhibition effect was found in the accelerated oxidation stage, i.e. 80–140 °C. To further analyze the micro-mechanism of the degradation of Phanerochaete chrysosporium affecting the spontaneous combustion of coal, the relative contents of active functional groups in coal samples were compared. The results showed that the degradation affected the relative contents of hydroxyl, aliphatic hydrocarbon, and oxygenated functional groups in coal. Among them, the most significant changes of –OH and –CO- were observed at 80–140 °C. Thus, it was analyzed that Phanerochaete chrysosporium could degrade the macromolecular structure of coal by generating biological enzymes to reduce the number of oxidizable functional groups such as –OH, –CH2, –CH3, –CO-, and so on, thus reducing the risk of spontaneous combustion of coal.

Review on Sampling Methods and Health Impacts of Fine (PM2.5, ≤2.5 µm) and Ultrafine (UFP, PM0.1, ≤0.1 µm) Particles

Airborne particulate matter (PM) is of great concern in the modern-day atmosphere owing to its association with a variety of health impacts, such as respiratory and cardiovascular diseases. Of the various size fractions of PM, it is the finer fractions that are most harmful to health, in particular ultrafine particles (PM0.1; UFPs), with an aerodynamic diameter ≤ 100 nm. The smaller size fractions, of ≤2.5 µm (PM2.5; fine particles) and ≤0.1 µm (PM0.1; ultrafine particles), have been shown to have numerous linkages to negative health effects; however, their collection/sampling remains challenging. This review paper employed a comprehensive literature review methodology; 200 studies were evaluated based on the rigor of their methodologies, including the validity of experimental designs, data collection methods, and statistical analyses. Studies with robust methodologies were prioritised for inclusion. This review paper critically assesses the health risks associated with fine and ultrafine particles, highlighting vehicular emissions as the most significant source of particulate-related health effects. While coal combustion, diesel exhaust, household wood combustors’ emissions, and Earth’s crust dust also pose health risks, evidence suggests that exposure to particulates from vehicular emissions has the greatest impact on human health due to their widespread distribution and contribution to air pollution-related diseases. This article comprehensively examines current sampling technologies, specifically focusing on the collection and sampling of ultrafine particles (UFP) from ambient air to facilitate toxicological and physiochemical characterisation efforts. This article discusses diverse approaches to collect fine and ultrafine particulates, along with experimental endeavours to assess ultrafine particle concentrations across various microenvironments. Following meticulous evaluation of sampling techniques, high-volume air samplers such as the Chem Vol Model 2400 High Volume Cascade Impactor and low-volume samplers like the Personal Cascade Impactor Sampler (PCIS) emerge as effective methods. These techniques offer advantages in particle size fractionation, collection efficiency, and adaptability to different sampling environments, positioning them as valuable tools for precise characterisation of particulate matter in air quality research and environmental monitoring.

Combustion characteristics and nitrogen conversion mechanism in ammonia/coal Co-firing process

The coupled combustion of coal with the carbon-free fuel NH3 is an effective technology for reducing CO2 emissions. Based on elemental analysis, proximate analysis, Fourier Transform infrared spectroscopy (FTIR), Carbon-13 Nuclear Magnetic Resonance (13C NMR), and X-ray photoelectron spectroscopy (XPS) characterizations, a coal macromolecular model was constructed. The combustion characteristics of coal/NH3 co-firing were investigated by reactive force field molecular dynamics simulations (ReaxFF MD). The transformation mechanism of elemental N was elucidated. The influence of temperature, oxygen concentration, and NH3 co-firing ratio (CR) on products was investigated. The results showed that during the non-isothermal combustion phase, the coal macromolecules decomposed more rapidly when the heating rate was low. In the isothermal phase, high temperatures promoted secondary reactions. The production of inorganic gases increased with increasing temperature. As the molar fraction of NH3 increased, the production of CO2 and CO was effectively reduced. There were three main pathways for NO formation. As NH3 decomposed to form NH2, NH2 was subsequently converted to NH, and NH reacted with O2 to form NO. The NH2 could also react with O radicals to form HNO, which was then converted to NO. Besides, both thermal NOx and prompt NOx were generated since the N2 was involved in the reaction. In addition, the production of NOx increased significantly at oxygen concentrations greater than 1.4.

Influencing Factors, Risk Assessment, and Source Identification of Heavy Metals in Purple Soil in the Eastern Region of Guang’an City, Sichuan Province, China

Soil heavy metal contamination poses a significant threat to both environmental health and ecological safety. To investigate the influencing factors, ecological hazards, and sources analysis of heavy metals in purple soil, 27 sets of soil samples were collected from varying genetic horizons within Guang’an City, and the contents of As, Cd, Cu, Cr, Hg, Ni, Pb, and Zn were analyzed. The results indicated higher concentrations of heavy metals in soil A horizon, compared to that of C horizon. The relevance analysis indicated that the soil’s heavy metals were strongly correlated with the soil’s physicochemical properties. The enrichment factor, pollution load index, and potential risk index highlighted slightly to severely polluted levels of soil Cd and Hg, which significantly contribute to the ecological hazards posed by soil heavy metals. The potential source of heavy metals analyzed using the APCS-MLR model identified both anthropogenic inputs and natural sources as primary contributors to heavy metal presence in soils. The Cu, Cr, Ni, Pb, and Zn contents in the samples from different genetic horizons were chiefly influenced by natural sources, such as soil matrix erosion and weathering, while the concentrations of Cd and Hg were largely affected by anthropogenic activities, specifically coal combustion and agriculture. Conversely, the As content was found to be influenced by a combination of both factors. Anthropogenic activities greatly impacted soil heavy metals at various depths within the study area, thereby underscoring the importance of monitoring these heavy metals. The findings gained from this research can give a scientific basis for the potential utilization of purple soil.